A0A087WRH8_MOUSE Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087WRH8, Species MOUSE (Mus musculus, Mouse), Gene Gm5157, Length 301 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.7Low56.4Low196 Ų196107.5 Ų107.597%0.96652%0.516SS*.  0116.20-131.9-176.6-58.100106.3M9M1-M9 HydrophobicContact SD-CE 4.03Å
2M58.8Low56.7Low131 Ų131106.1 Ų106.165%0.64551%0.513SS*.  trans-79.5150.9-174-73.9-175.8-7700110.1Q4 D5 L6M2-Q4 PolarHBondContact O-N 3.19Å; M2-Q4 VanDerWaalsContact O-N 3.09Å; M2-D5 PolarHBondContact N-OD2 2.89Å; M2-D5 WeakPolarHBondContact O-CB 3.3Å; M2-D5 PolarHBondContact O-N 2.89Å; M2-L6 PolarHBondContact O-N 3.08Å
3E58Low56.7Low136 Ų13698.1 Ų98.164%0.63648%0.475SS*.Hα-helixtrans-56-28.1179.2-164.1-174.6145.600112.6L6 K7E3-L6 PolarHBondContact O-N 3Å; E3-K7 PolarHBondContact O-N 3.1Å; E3-K7 WeakPolarHBondContact OE1-CE 3.41Å; E3-K7 IonicContact OE1-NZ 3.52Å; E3-K7 PolarHBondContact OE1-NZ 3.16Å
4Q56.9Low57Low151 Ų151100.6 Ų100.671%0.70648%0.482SS*.Hα-helixtrans-64.8-40.9173.5-69.9179-1100112.7M2 L6 K7 M8M2-Q4 PolarHBondContact O-N 3.19Å; M2-Q4 VanDerWaalsContact O-N 3.09Å; Q4-L6 VanDerWaalsContact C-N 3.3Å; Q4-L6 PolarHBondContact O-N 2.66Å; Q4-K7 PolarHBondContact O-N 2.91Å; Q4-M8 WeakPolarHBondContact O-CB 3.42Å; Q4-M8 PolarHBondContact O-N 3.36Å
5D55.3Low57.2Low53 Ų5399.5 Ų99.528%0.28350%0.496SS..Hα-helixtrans-62.9-40.9177-56.6-38000110.3M2 M8 M9M2-D5 PolarHBondContact N-OD2 2.89Å; M2-D5 WeakPolarHBondContact O-CB 3.3Å; M2-D5 PolarHBondContact O-N 2.89Å; D5-M8 PolarHBondContact O-N 2.71Å; D5-M9 HydrophobicContact CB-CE 3.87Å; D5-M9 WeakPolarHBondContact O-CB 3.46Å; D5-M9 VanDerWaalsContact O-CG 3.26Å; D5-M9 WeakPolarHBondContact O-CG 3.49Å; D5-M9 PolarHBondContact O-N 3.18Å
6L55.1Low57.4Low52 Ų5294.4 Ų94.427%0.27247%0.473SS..Hα-helixtrans-64.7-45.7177.7-162.686.6000111.2M2 E3 Q4 M8 M9 E10M2-L6 PolarHBondContact O-N 3.08Å; E3-L6 PolarHBondContact O-N 3Å; Q4-L6 VanDerWaalsContact C-N 3.3Å; Q4-L6 PolarHBondContact O-N 2.66Å; L6-M8 VanDerWaalsContact C-N 3.33Å; L6-M8 PolarHBondContact O-N 3.36Å; L6-M9 PolarHBondContact O-N 3.05Å; L6-E10 WeakPolarHBondContact O-CG 3.44Å; L6-E10 PolarHBondContact O-N 3.45Å
7K56.7Low58Low110 Ų11091 Ų9148%0.47845%0.453SS..Hα-helixtrans-62-40.2177-77.9176.4-177.5159.60112.2E3 Q4 E10 Q11E3-K7 PolarHBondContact O-N 3.1Å; E3-K7 WeakPolarHBondContact OE1-CE 3.41Å; E3-K7 IonicContact OE1-NZ 3.52Å; E3-K7 PolarHBondContact OE1-NZ 3.16Å; Q4-K7 PolarHBondContact O-N 2.91Å; K7-E10 PolarHBondContact O-N 2.92Å; K7-Q11 VanDerWaalsContact O-CG 3.31Å; K7-Q11 WeakPolarHBondContact O-CG 3.48Å; K7-Q11 PolarHBondContact O-N 3.09Å
8M56.9Low58.3Low104 Ų10488.1 Ų88.151%0.51244%0.443SS..Hα-helixtrans-66-43.7175.8-170.2173.166.900111.1Q4 D5 L6 E10 Q11 D12Q4-M8 WeakPolarHBondContact O-CB 3.42Å; Q4-M8 PolarHBondContact O-N 3.36Å; D5-M8 PolarHBondContact O-N 2.71Å; L6-M8 VanDerWaalsContact C-N 3.33Å; L6-M8 PolarHBondContact O-N 3.36Å; M8-E10 VanDerWaalsContact C-N 3.34Å; M8-E10 PolarHBondContact O-N 3.48Å; M8-Q11 WeakPolarHBondContact O-CB 3.34Å; M8-Q11 PolarHBondContact O-N 3.12Å; M8-Q11 VanDerWaalsContact O-N 3.09Å; M8-D12 PolarHBondContact O-N 3.48Å
9M56.3Low58.1Low41 Ų4191.8 Ų91.820%0.20246%0.463CS..Hα-helixtrans-61.5-40.2174.1-73-177.4-12800112.3M1 D5 L6 Q11 L13 S66M1-M9 HydrophobicContact SD-CE 4.03Å; D5-M9 HydrophobicContact CB-CE 3.87Å; D5-M9 WeakPolarHBondContact O-CB 3.46Å; D5-M9 VanDerWaalsContact O-CG 3.26Å; D5-M9 WeakPolarHBondContact O-CG 3.49Å; D5-M9 PolarHBondContact O-N 3.18Å; L6-M9 PolarHBondContact O-N 3.05Å; M9-Q11 VanDerWaalsContact C-N 3.31Å; M9-Q11 PolarHBondContact O-N 3.49Å; M9-L13 WeakPolarHBondContact O-CB 3.49Å; M9-L13 PolarHBondContact O-N 3.46Å; M9-S66 WeakPolarHBondContact SD-CB 3.44Å; M9-S66 PolarHBondContact SD-OG 3.23Å
10E58.1Low58.4Low81 Ų8189.1 Ų89.138%0.37945%0.448SS..Hα-helixtrans-65.1-33173.5-75.4179.3-178.500112.4L6 K7 M8 K14L6-E10 WeakPolarHBondContact O-CG 3.44Å; L6-E10 PolarHBondContact O-N 3.45Å; K7-E10 PolarHBondContact O-N 2.92Å; M8-E10 VanDerWaalsContact C-N 3.34Å; M8-E10 PolarHBondContact O-N 3.48Å; E10-K14 WeakPolarHBondContact O-CB 3.49Å; E10-K14 VanDerWaalsContact O-CG 3.28Å; E10-K14 WeakPolarHBondContact O-CG 3.48Å; E10-K14 PolarHBondContact O-N 3.04Å
11Q56.9Low58.7Low128 Ų12892.7 Ų92.760%0.59846%0.463SS*.Hα-helixtrans-71.2-46.7174.9-76.3174.5-5.800112K7 M8 M9 L13 K14 A15K7-Q11 VanDerWaalsContact O-CG 3.31Å; K7-Q11 WeakPolarHBondContact O-CG 3.48Å; K7-Q11 PolarHBondContact O-N 3.09Å; M8-Q11 WeakPolarHBondContact O-CB 3.34Å; M8-Q11 PolarHBondContact O-N 3.12Å; M8-Q11 VanDerWaalsContact O-N 3.09Å; M9-Q11 VanDerWaalsContact C-N 3.31Å; M9-Q11 PolarHBondContact O-N 3.49Å; Q11-L13 PolarHBondContact O-N 3.05Å; Q11-K14 WeakPolarHBondContact O-CB 3.3Å; Q11-K14 PolarHBondContact O-N 3.01Å; Q11-K14 VanDerWaalsContact O-N 3.11Å; Q11-A15 PolarHBondContact O-N 3.21Å
12D59.5Low59.9Low90 Ų9087.7 Ų87.748%0.48144%0.441SS..Hα-helixtrans-58.3-38.5174-73.2-17.9000111M8 A15 C16M8-D12 PolarHBondContact O-N 3.48Å; D12-A15 PolarHBondContact O-N 3.29Å; D12-C16 PolarHBondContact O-N 2.95Å; D12-C16 PolarHBondContact O-SG 3.37Å
13L56.9Low61Low2 Ų281.6 Ų81.61%0.0141%0.411CS..Hα-helixtrans-65.5-46.3175.2-169.551.8000111.5M9 Q11 A15 C16 Y17 T65 C69M9-L13 WeakPolarHBondContact O-CB 3.49Å; M9-L13 PolarHBondContact O-N 3.46Å; Q11-L13 PolarHBondContact O-N 3.05Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.34Å; L13-C16 WeakPolarHBondContact O-CA 3.41Å; L13-C16 VanDerWaalsContact O-CB 3.3Å; L13-C16 WeakPolarHBondContact O-CB 3.41Å; L13-C16 PolarHBondContact O-N 3.43Å; L13-Y17 VanDerWaalsContact C-CE2 3.44Å; L13-Y17 HydrophobicContact CB-CE2 4.24Å; L13-Y17 HydrophobicContact CD1-CE1 3.92Å; L13-Y17 HydrophobicContact CD1-CE2 3.96Å; L13-Y17 WeakPolarHBondContact CD1-OH 3.4Å; L13-Y17 HydrophobicContact CD2-CE2 4.26Å; L13-Y17 WeakPolarHBondContact CD2-OH 3.4Å; L13-Y17 HydrophobicContact CG-CE1 4.34Å; L13-Y17 HydrophobicContact CG-CE2 3.47Å; L13-Y17 VanDerWaalsContact CG-CE2 3.47Å; L13-Y17 WeakPolarHBondContact CG-OH 3.44Å; L13-Y17 WeakPolarHBondContact O-CD2 3.3Å; L13-Y17 WeakPolarHBondContact O-CE2 3.24Å; L13-T65 HydrophobicContact CD2-CG2 3.61Å; L13-C69 WeakPolarHBondContact CB-SG 3.27Å; L13-C69 HydrophobicContact CD1-CB 4.07Å; L13-C69 WeakPolarHBondContact CD1-SG 3.21Å; L13-C69 VanDerWaalsContact CD2-SG 3.58Å
14K60.8Low62.2Low134 Ų13480.6 Ų80.658%0.58341%0.41SS*.Hα-helixtrans-59.4-39.2174.5-79.5174.2-175.7174.90113.1E10 Q11 C16 Y17E10-K14 WeakPolarHBondContact O-CB 3.49Å; E10-K14 VanDerWaalsContact O-CG 3.28Å; E10-K14 WeakPolarHBondContact O-CG 3.48Å; E10-K14 PolarHBondContact O-N 3.04Å; Q11-K14 WeakPolarHBondContact O-CB 3.3Å; Q11-K14 PolarHBondContact O-N 3.01Å; Q11-K14 VanDerWaalsContact O-N 3.11Å; K14-C16 PolarHBondContact O-N 3.21Å; K14-Y17 PolarHBondContact O-N 3.22Å
15A60Low63.6Low84 Ų8477.8 Ų77.869%0.69440%0.403SS*.Hα-helixtrans-64-22.3173.900000112.5Q11 D12 L13Q11-A15 PolarHBondContact O-N 3.21Å; D12-A15 PolarHBondContact O-N 3.29Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.34Å
16C60.8Low65.3Low17 Ų1777.1 Ų77.112%0.11540%0.4CS..THydrogen-bonded Turntrans-83.7-6.9177.1-68.20000114.4D12 L13 K14 K76D12-C16 PolarHBondContact O-N 2.95Å; D12-C16 PolarHBondContact O-SG 3.37Å; L13-C16 WeakPolarHBondContact O-CA 3.41Å; L13-C16 VanDerWaalsContact O-CB 3.3Å; L13-C16 WeakPolarHBondContact O-CB 3.41Å; L13-C16 PolarHBondContact O-N 3.43Å; K14-C16 PolarHBondContact O-N 3.21Å; C16-K76 VanDerWaalsContact C-NZ 3.27Å; C16-K76 VanDerWaalsContact CA-NZ 3.27Å; C16-K76 VanDerWaalsContact O-CE 3.32Å; C16-K76 WeakPolarHBondContact O-CE 3.46Å; C16-K76 PolarHBondContact O-NZ 2.69Å
17Y66.8Low67.1Low37 Ų3774.9 Ų74.915%0.14539%0.388CS..  trans-97.6144.9-172.6-59.9-51.6000114.6L13 K14 V89 Q91 T96L13-Y17 VanDerWaalsContact C-CE2 3.44Å; L13-Y17 HydrophobicContact CB-CE2 4.24Å; L13-Y17 HydrophobicContact CD1-CE1 3.92Å; L13-Y17 HydrophobicContact CD1-CE2 3.96Å; L13-Y17 WeakPolarHBondContact CD1-OH 3.4Å; L13-Y17 HydrophobicContact CD2-CE2 4.26Å; L13-Y17 WeakPolarHBondContact CD2-OH 3.4Å; L13-Y17 HydrophobicContact CG-CE1 4.34Å; L13-Y17 HydrophobicContact CG-CE2 3.47Å; L13-Y17 VanDerWaalsContact CG-CE2 3.47Å; L13-Y17 WeakPolarHBondContact CG-OH 3.44Å; L13-Y17 WeakPolarHBondContact O-CD2 3.3Å; L13-Y17 WeakPolarHBondContact O-CE2 3.24Å; K14-Y17 PolarHBondContact O-N 3.22Å; Y17-V89 WeakPolarHBondContact CA-O 3.46Å; Y17-V89 HydrophobicContact CD1-CB 3.95Å; Y17-V89 HydrophobicContact CD1-CG1 3.34Å; Y17-V89 HydrophobicContact CE1-CB 4.39Å; Y17-V89 HydrophobicContact CE1-CG1 3.32Å; Y17-Q91 HydrophobicContact CD1-CB 3.92Å; Y17-Q91 HydrophobicContact CD2-CB 3.76Å; Y17-Q91 HydrophobicContact CE1-CB 3.67Å; Y17-Q91 HydrophobicContact CE1-CG 4.27Å; Y17-Q91 HydrophobicContact CE2-CB 3.54Å; Y17-Q91 HydrophobicContact CE2-CG 3.86Å; Y17-Q91 HydrophobicContact CG-CB 3.96Å; Y17-Q91 VanDerWaalsContact CZ-CB 3.43Å; Y17-Q91 VanDerWaalsContact CZ-CD 3.44Å; Y17-Q91 WeakPolarHBondContact OH-CG 3.39Å; Y17-Q91 PolarHBondContact OH-NE2 3.31Å; Y17-T96 HydrophobicContact CE1-CG2 4.11Å; Y17-T96 PolarHBondContact OH-OG1 3.02Å
18S63Low68.9Low39 Ų3976 Ų7627%0.27339%0.393SS..  trans-95.2119156.740.20000107.9E20 V89S18-E20 PolarHBondContact O-N 2.98Å; S18-V89 PolarHBondContact N-O 3.15Å; S18-V89 PolarHBondContact OG-O 2.94Å
19I56.2Low70.7Confident158 Ų15874.1 Ų74.181%0.8138%0.383SS*.  trans-69.5101.1169.3-59.4174000106.8E21I19-E21 HydrophobicContact CG2-CG 4.29Å
20E63.7Low72.6Confident37 Ų3775.5 Ų75.517%0.17339%0.391CS..  trans-102.394.6169.1-76.7-172.6161.500109.5S18 N22 F23 Y27 V90 R92S18-E20 PolarHBondContact O-N 2.98Å; E20-N22 PolarHBondContact O-N 3.24Å; E20-F23 HydrophobicContact CB-CB 4.23Å; E20-F23 PolarHBondContact O-N 3.07Å; E20-Y27 WeakPolarHBondContact OE2-CE2 3.4Å; E20-V90 HydrophobicContact CB-CG2 4.34Å; E20-V90 HydrophobicContact CG-CG2 4.46Å; E20-R92 PolarHBondContact O-NH2 3.08Å
21E64.5Low74.4Confident165 Ų16575.5 Ų75.577%0.77139%0.393SS*.THydrogen-bonded Turntrans-54-35171.2-64.9-175.8164.700110.7I19 R92I19-E21 HydrophobicContact CG2-CG 4.29Å; E21-R92 PolarHBondContact O-NH2 3.07Å
22N76Confident76.3Confident92 Ų9272.4 Ų72.449%0.49238%0.383SS..THydrogen-bonded Turntrans-95.420.6-175.8-69.9-38.6000114.6E20 D24 T25 N26E20-N22 PolarHBondContact O-N 3.24Å; N22-D24 VanDerWaalsContact C-N 3.33Å; N22-D24 PolarHBondContact O-N 2.66Å; N22-T25 WeakPolarHBondContact CA-OG1 3.23Å; N22-T25 VanDerWaalsContact CB-OG1 3.26Å; N22-T25 WeakPolarHBondContact CB-OG1 3.47Å; N22-T25 PolarHBondContact O-N 3.29Å; N22-T25 VanDerWaalsContact O-N 3.16Å; N22-T25 PolarHBondContact O-OG1 2.7Å; N22-N26 VanDerWaalsContact O-CB 3.23Å; N22-N26 WeakPolarHBondContact O-CB 3.25Å; N22-N26 VanDerWaalsContact O-CG 3.23Å; N22-N26 PolarHBondContact O-N 2.81Å
23F82.8Confident77.9Confident2 Ų271.3 Ų71.31%0.00938%0.377CS..Hα-helixtrans-55.9-44.2-178.2-179.4-101.1000113E20 T25 N26 Y27 M29 V55 V90 R92 Y97 V99E20-F23 HydrophobicContact CB-CB 4.23Å; E20-F23 PolarHBondContact O-N 3.07Å; F23-T25 VanDerWaalsContact C-N 3.29Å; F23-T25 PolarHBondContact O-N 3.34Å; F23-N26 PolarHBondContact O-N 3.04Å; F23-Y27 AromaticContact CD2-CD2 3.33Å; F23-Y27 HydrophobicContact CD2-CD2 3.33Å; F23-Y27 AromaticContact CD2-CE2 3.72Å; F23-Y27 HydrophobicContact CD2-CE2 3.72Å; F23-Y27 HydrophobicContact CD2-CG 4.11Å; F23-Y27 AromaticContact CE2-CD2 3.58Å; F23-Y27 HydrophobicContact CE2-CD2 3.58Å; F23-Y27 HydrophobicContact CE2-CE2 4.01Å; F23-Y27 AromaticContact CE2-CG 3.92Å; F23-Y27 HydrophobicContact CE2-CG 3.92Å; F23-Y27 HydrophobicContact CG-CD2 4.07Å; F23-Y27 HydrophobicContact CZ-CD2 4.48Å; F23-Y27 WeakPolarHBondContact O-CB 3.38Å; F23-Y27 WeakPolarHBondContact O-CD2 3.31Å; F23-Y27 PolarHBondContact O-N 3.22Å; F23-M29 HydrophobicContact CE1-CE 3.52Å; F23-M29 HydrophobicContact CZ-CE 3.46Å; F23-M29 VanDerWaalsContact CZ-CE 3.46Å; F23-V55 HydrophobicContact CZ-CG1 4.28Å; F23-V90 HydrophobicContact CB-CG1 4.36Å; F23-V90 HydrophobicContact CD2-CB 4.2Å; F23-V90 HydrophobicContact CD2-CG1 4.15Å; F23-V90 HydrophobicContact CD2-CG2 3.84Å; F23-V90 HydrophobicContact CE2-CB 4.38Å; F23-V90 HydrophobicContact CE2-CG2 4.15Å; F23-V90 HydrophobicContact CG-CG1 4.25Å; F23-R92 VanDerWaalsContact CB-CZ 3.48Å; F23-R92 VanDerWaalsContact CB-NH2 3.34Å; F23-Y97 AromaticContact CE1-CD1 3.69Å; F23-Y97 HydrophobicContact CE1-CD1 3.69Å; F23-Y97 HydrophobicContact CE1-CD2 4.47Å; F23-Y97 AromaticContact CE1-CE1 3.9Å; F23-Y97 HydrophobicContact CE1-CE1 3.9Å; F23-Y97 HydrophobicContact CE1-CG 4Å; F23-Y97 AromaticContact CZ-CD1 3.61Å; F23-Y97 HydrophobicContact CZ-CD1 3.61Å; F23-Y97 HydrophobicContact CZ-CE1 4.29Å; F23-Y97 AromaticContact CZ-CG 3.78Å; F23-Y97 HydrophobicContact CZ-CG 3.78Å; F23-V99 HydrophobicContact CE2-CG2 3.88Å
24D82.8Confident79.6Confident115 Ų11572.6 Ų72.662%0.61539%0.391SS*.Hα-helixtrans-69.7-26.9-178.7-57.7-39.8000112.9N22 R92N22-D24 VanDerWaalsContact C-N 3.33Å; N22-D24 PolarHBondContact O-N 2.66Å; D24-R92 IonicContact OD1-NH1 3.58Å; D24-R92 PolarHBondContact OD1-NH1 3.11Å; D24-R92 VanDerWaalsContact OD1-NH1 3.15Å; D24-R92 IonicContact OD2-CZ 2.69Å; D24-R92 IonicContact OD2-NH1 3.37Å; D24-R92 PolarHBondContact OD2-NH1 3.32Å
25T86.4Confident81Confident92 Ų9273.9 Ų73.956%0.56440%0.399SS*.Hα-helixtrans-84.8-33176.548.70000111.7N22 F23N22-T25 WeakPolarHBondContact CA-OG1 3.23Å; N22-T25 VanDerWaalsContact CB-OG1 3.26Å; N22-T25 WeakPolarHBondContact CB-OG1 3.47Å; N22-T25 PolarHBondContact O-N 3.29Å; N22-T25 VanDerWaalsContact O-N 3.16Å; N22-T25 PolarHBondContact O-OG1 2.7Å; F23-T25 VanDerWaalsContact C-N 3.29Å; F23-T25 PolarHBondContact O-N 3.34Å
26N90.4Very high82.1Confident40 Ų4071.5 Ų71.521%0.21438%0.382CS..Hα-helixtrans-82.9-30.6-179.5-70.5-11.3000113.1N22 F23 H46 V47 P48N22-N26 VanDerWaalsContact O-CB 3.23Å; N22-N26 WeakPolarHBondContact O-CB 3.25Å; N22-N26 VanDerWaalsContact O-CG 3.23Å; N22-N26 PolarHBondContact O-N 2.81Å; F23-N26 PolarHBondContact O-N 3.04Å; N26-H46 CarbonylContact O-C 3.5Å; N26-H46 WeakPolarHBondContact O-CA 3.44Å; N26-H46 PolarHBondContact O-CD2 3.05Å; N26-V47 PolarHBondContact O-N 3.11Å; N26-P48 HydrophobicContact CB-CG 4.15Å
27Y92.7Very high83Confident5 Ų579.4 Ų79.42%0.0242%0.415CS..EExtended strand (participates in β ladder)trans-117.3103-177-64.6-88.7000111.5E20 F23 M29 H46 V53 H88 V99E20-Y27 WeakPolarHBondContact OE2-CE2 3.4Å; F23-Y27 AromaticContact CD2-CD2 3.33Å; F23-Y27 HydrophobicContact CD2-CD2 3.33Å; F23-Y27 AromaticContact CD2-CE2 3.72Å; F23-Y27 HydrophobicContact CD2-CE2 3.72Å; F23-Y27 HydrophobicContact CD2-CG 4.11Å; F23-Y27 AromaticContact CE2-CD2 3.58Å; F23-Y27 HydrophobicContact CE2-CD2 3.58Å; F23-Y27 HydrophobicContact CE2-CE2 4.01Å; F23-Y27 AromaticContact CE2-CG 3.92Å; F23-Y27 HydrophobicContact CE2-CG 3.92Å; F23-Y27 HydrophobicContact CG-CD2 4.07Å; F23-Y27 HydrophobicContact CZ-CD2 4.48Å; F23-Y27 WeakPolarHBondContact O-CB 3.38Å; F23-Y27 WeakPolarHBondContact O-CD2 3.31Å; F23-Y27 PolarHBondContact O-N 3.22Å; Y27-M29 PolarHBondContact O-N 3.29Å; Y27-H46 HydrophobicContact CD1-CB 4.14Å; Y27-H46 AromaticContact CD1-CD2 3.85Å; Y27-H46 HydrophobicContact CE1-CB 3.91Å; Y27-H46 AromaticContact CE1-CD2 3.35Å; Y27-H46 WeakPolarHBondContact CE1-CD2 3.37Å; Y27-H46 AromaticContact CE1-CG 3.79Å; Y27-H46 AromaticContact CE2-CD2 3.73Å; Y27-H46 AromaticContact CZ-CD2 3.31Å; Y27-H46 AromaticContact CZ-NE2 3.8Å; Y27-V53 HydrophobicContact CD1-CG2 3.89Å; Y27-V53 HydrophobicContact CE1-CG2 3.99Å; Y27-H88 PolarHBondContact OH-CD2 3.01Å; Y27-H88 VanDerWaalsContact OH-CD2 3.28Å; Y27-V99 HydrophobicContact CD1-CG1 4.34Å; Y27-V99 HydrophobicContact CE1-CB 4.41Å; Y27-V99 HydrophobicContact CE1-CG1 3.46Å; Y27-V99 VanDerWaalsContact CE1-CG1 3.46Å; Y27-V99 HydrophobicContact CE1-CG2 4.07Å
28K94.7Very high83.8Confident134 Ų13480.7 Ų80.758%0.58342%0.422SS*.EExtended strand (participates in β ladder)trans-80.8103.2172-176.5178-179.8177.80109.7L30 A44 F45 V47K28-L30 HydrophobicContact CG-CD2 4.39Å; K28-A44 CarbonylContact O-C 3.6Å; K28-A44 VanDerWaalsContact O-CA 3.27Å; K28-A44 WeakPolarHBondContact O-CA 3.4Å; K28-F45 HydrophobicContact CB-CB 4.38Å; K28-F45 PolarHBondContact N-O 3.41Å; K28-F45 PolarHBondContact O-N 2.9Å; K28-V47 HydrophobicContact CB-CG2 4.42Å
29M95.3Very high85.1Confident64 Ų6480.3 Ų80.332%0.31542%0.419SS..EExtended strand (participates in β ladder)trans-63.1135.6175.3-61.6-64.1164.500111F23 Y27 A44 V55F23-M29 HydrophobicContact CE1-CE 3.52Å; F23-M29 HydrophobicContact CZ-CE 3.46Å; F23-M29 VanDerWaalsContact CZ-CE 3.46Å; Y27-M29 PolarHBondContact O-N 3.29Å; M29-A44 HydrophobicContact SD-CB 3.82Å; M29-V55 HydrophobicContact CE-CB 4.3Å; M29-V55 HydrophobicContact CE-CG1 4.06Å; M29-V55 HydrophobicContact CE-CG2 4.13Å; M29-V55 HydrophobicContact SD-CB 4.33Å; M29-V55 HydrophobicContact SD-CG2 4.3Å
30L95.5Very high87Confident69 Ų6974.5 Ų74.536%0.36139%0.391SS..EExtended strand (participates in β ladder)trans-115.7-135179.3-56.7177000109.5K28 R43 F45K28-L30 HydrophobicContact CG-CD2 4.39Å; L30-R43 WeakPolarHBondContact CA-O 3.23Å; L30-R43 HydrophobicContact CB-CB 4.37Å; L30-R43 WeakPolarHBondContact CB-O 3.3Å; L30-R43 HydrophobicContact CD1-CG 4.23Å; L30-R43 PolarHBondContact N-O 3.41Å; L30-F45 HydrophobicContact CD1-CB 4.39Å
31N95.7Very high88.6Confident81 Ų8174.5 Ų74.543%0.43339%0.393SS..EExtended strand (participates in β ladder)trans-75.7154.8-178.964.2-75.7000112.9K42 R43N31-K42 WeakPolarHBondContact O-CA 3.5Å; N31-R43 PolarHBondContact O-N 3.17Å
32T97.1Very high90.2Very high63 Ų6369.8 Ų69.839%0.38737%0.37SS..EExtended strand (participates in β ladder)trans-69.4138.9167.6-58.40000109.7G34 V40T32-G34 WeakPolarHBondContact CG2-O 3.18Å; T32-V40 HydrophobicContact CG2-CG1 3.85Å
33L94.6Very high91.2Very high68 Ų6869 Ų6936%0.35636%0.36SS..EExtended strand (participates in β ladder)trans-103.4-35.8175.1-63.4174.3000111.2V41 R43 A54 Y102L33-V41 HydrophobicContact CB-CG1 4.28Å; L33-V41 HydrophobicContact CD1-CG1 4.33Å; L33-V41 PolarHBondContact N-O 2.96Å; L33-R43 HydrophobicContact CD1-CB 3.99Å; L33-R43 HydrophobicContact CD2-CB 4.14Å; L33-R43 HydrophobicContact CG-CB 4.05Å; L33-A54 HydrophobicContact CD1-CB 4.29Å; L33-Y102 HydrophobicContact CD1-CD2 3.93Å; L33-Y102 HydrophobicContact CD1-CE2 3.73Å; L33-Y102 HydrophobicContact CD2-CE2 4.03Å
34G91Very high91.9Very high29 Ų2969 Ų6930%0.29936%0.36SS..EExtended strand (participates in β ladder)trans-160.7155.7177.300000111.5T32 V41T32-G34 WeakPolarHBondContact CG2-O 3.18Å; G34-V41 PolarHBondContact N-O 2.91Å; G34-V41 PolarHBondContact O-N 3.37Å
35E91.3Very high92.6Very high160 Ų16066.7 Ų66.775%0.74835%0.345SS*.EExtended strand (participates in β ladder)trans-139.9134.1-177.7-179.1165.2-171.200110.3V40E35-V40 HydrophobicContact CG-CG2 4.21Å
36G82.6Confident93Very high34 Ų3463.5 Ų63.535%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-134.3174.417500000110.4F38 S39G36-F38 PolarHBondContact O-N 3.32Å; G36-F38 VanDerWaalsContact O-N 3.09Å; G36-S39 PolarHBondContact N-O 3.17Å; G36-S39 PolarHBondContact O-N 3.19Å; G36-S39 VanDerWaalsContact O-O 3.09Å
37K80.9Confident93.1Very high183 Ų18364.8 Ų64.880%0.79633%0.332SS*.THydrogen-bonded Turntrans-54.7-35.5-170.7-171.6176.6176.1-173.10114.7
38F82.8Confident93.1Very high65 Ų6568.3 Ų68.329%0.28536%0.356SS..THydrogen-bonded Turntrans-13014-177.4-57.2-71.8000113G36 Q59 Y64G36-F38 PolarHBondContact O-N 3.32Å; G36-F38 VanDerWaalsContact O-N 3.09Å; F38-Q59 PolarHBondContact O-N 3.17Å; F38-Y64 HydrophobicContact CD1-CD2 4.49Å; F38-Y64 HydrophobicContact CD1-CE2 4.09Å; F38-Y64 HydrophobicContact CD2-CD2 4.39Å; F38-Y64 HydrophobicContact CD2-CE1 4.06Å; F38-Y64 AromaticContact CD2-CE2 3.65Å; F38-Y64 HydrophobicContact CD2-CE2 3.65Å; F38-Y64 AromaticContact CD2-CZ 3.46Å; F38-Y64 VanDerWaalsContact CD2-CZ 3.46Å; F38-Y64 HydrophobicContact CE1-CE2 4.04Å; F38-Y64 HydrophobicContact CE2-CE1 4.36Å; F38-Y64 AromaticContact CE2-CE2 3.59Å; F38-Y64 HydrophobicContact CE2-CE2 3.59Å; F38-Y64 AromaticContact CE2-CZ 3.4Å; F38-Y64 WeakPolarHBondContact CE2-OH 3.46Å; F38-Y64 HydrophobicContact CG-CD2 4.27Å; F38-Y64 AromaticContact CG-CE2 3.88Å; F38-Y64 HydrophobicContact CG-CE2 3.88Å; F38-Y64 AromaticContact CZ-CE2 3.77Å; F38-Y64 HydrophobicContact CZ-CE2 3.77Å
39S90.7Very high93Very high31 Ų3165.8 Ų65.822%0.21735%0.352CS..EExtended strand (participates in β ladder)trans-148.5138.4-175.665.40000112G36 I57G36-S39 PolarHBondContact N-O 3.17Å; G36-S39 PolarHBondContact O-N 3.19Å; G36-S39 VanDerWaalsContact O-O 3.09Å; S39-I57 CarbonylContact C-O 3.56Å; S39-I57 VanDerWaalsContact CA-O 3.22Å; S39-I57 WeakPolarHBondContact CA-O 3.39Å
40V95.2Very high92.9Very high36 Ų3666.6 Ų66.622%0.21836%0.364CS..EExtended strand (participates in β ladder)trans-123.6131170.8-178.20000108.5T32 E35 K42 I57T32-V40 HydrophobicContact CG2-CG1 3.85Å; E35-V40 HydrophobicContact CG-CG2 4.21Å; V40-K42 HydrophobicContact CG1-CG 3.93Å; V40-I57 PolarHBondContact N-O 3.31Å; V40-I57 WeakPolarHBondContact O-CB 3.33Å; V40-I57 PolarHBondContact O-N 3.06Å
41V97.1Very high92.8Very high37 Ų3766.5 Ų66.522%0.22437%0.366CS..EExtended strand (participates in β ladder)trans-101.6122172.5-172.40000108.2L33 G34 A54 V55 K56L33-V41 HydrophobicContact CB-CG1 4.28Å; L33-V41 HydrophobicContact CD1-CG1 4.33Å; L33-V41 PolarHBondContact N-O 2.96Å; G34-V41 PolarHBondContact N-O 2.91Å; G34-V41 PolarHBondContact O-N 3.37Å; V41-A54 HydrophobicContact CG1-CB 4.44Å; V41-V55 WeakPolarHBondContact CA-O 3.14Å; V41-K56 HydrophobicContact CG2-CB 4.12Å; V41-K56 HydrophobicContact CG2-CD 4.44Å; V41-K56 HydrophobicContact CG2-CG 4.03Å
42K98Very high92.9Very high66 Ų6664.6 Ų64.629%0.28736%0.359SS..EExtended strand (participates in β ladder)trans-116.7148.4176.2-62.2-161.8171.5-168.90111.1N31 V40 A54 V55 I57N31-K42 WeakPolarHBondContact O-CA 3.5Å; V40-K42 HydrophobicContact CG1-CG 3.93Å; K42-A54 CarbonylContact O-C 3.6Å; K42-A54 WeakPolarHBondContact O-CA 3.29Å; K42-V55 PolarHBondContact N-O 3.27Å; K42-V55 PolarHBondContact O-N 2.96Å; K42-I57 HydrophobicContact CD-CD1 4.15Å; K42-I57 HydrophobicContact CG-CD1 4.16Å
43R97.7Very high92.9Very high76 Ų7661.8 Ų61.829%0.28734%0.342SS..EExtended strand (participates in β ladder)trans-73.6139.2161.2-172179.8170.6-170.8-1.5108L30 N31 L33 S52 Y102L30-R43 WeakPolarHBondContact CA-O 3.23Å; L30-R43 HydrophobicContact CB-CB 4.37Å; L30-R43 WeakPolarHBondContact CB-O 3.3Å; L30-R43 HydrophobicContact CD1-CG 4.23Å; L30-R43 PolarHBondContact N-O 3.41Å; N31-R43 PolarHBondContact O-N 3.17Å; L33-R43 HydrophobicContact CD1-CB 3.99Å; L33-R43 HydrophobicContact CD2-CB 4.14Å; L33-R43 HydrophobicContact CG-CB 4.05Å; R43-S52 PolarHBondContact NH2-OG 3Å; R43-Y102 HydrophobicContact CG-CD2 4.41Å; R43-Y102 HydrophobicContact CG-CE2 4.2Å
44A97.6Very high93Very high0 Ų058.9 Ų58.90%033%0.328CS..EExtended strand (participates in β ladder)trans-134.5159.4170.100000110.5K28 M29 S52 V53 V55K28-A44 CarbonylContact O-C 3.6Å; K28-A44 VanDerWaalsContact O-CA 3.27Å; K28-A44 WeakPolarHBondContact O-CA 3.4Å; M29-A44 HydrophobicContact SD-CB 3.82Å; A44-S52 WeakPolarHBondContact O-CA 2.85Å; A44-V53 HydrophobicContact CB-CG2 3.93Å; A44-V53 PolarHBondContact N-O 3.32Å; A44-V53 PolarHBondContact O-N 3.48Å; A44-V55 HydrophobicContact CB-CG2 3.75Å
45F96.4Very high93.3Very high68 Ų6857.5 Ų57.530%0.29831%0.314SS..EExtended strand (participates in β ladder)trans-107.2118.5171.3-172.5-102.8000108.8K28 L30 V47 S50K28-F45 HydrophobicContact CB-CB 4.38Å; K28-F45 PolarHBondContact N-O 3.41Å; K28-F45 PolarHBondContact O-N 2.9Å; L30-F45 HydrophobicContact CD1-CB 4.39Å; F45-V47 HydrophobicContact CD1-CG2 4.29Å; F45-V47 PolarHBondContact O-N 3.14Å; F45-S50 VanDerWaalsContact CE2-C 3.44Å; F45-S50 WeakPolarHBondContact CE2-O 3.48Å; F45-S50 VanDerWaalsContact CZ-C 3.45Å
46H95.3Very high93.6Very high24 Ų2450.6 Ų50.611%0.11128%0.281CS..EExtended strand (participates in β ladder)trans-80104.1173.8-174.5-127.7000108.6N26 Y27 T49 S50 T51 V53N26-H46 CarbonylContact O-C 3.5Å; N26-H46 WeakPolarHBondContact O-CA 3.44Å; N26-H46 PolarHBondContact O-CD2 3.05Å; Y27-H46 HydrophobicContact CD1-CB 4.14Å; Y27-H46 AromaticContact CD1-CD2 3.85Å; Y27-H46 HydrophobicContact CE1-CB 3.91Å; Y27-H46 AromaticContact CE1-CD2 3.35Å; Y27-H46 WeakPolarHBondContact CE1-CD2 3.37Å; Y27-H46 AromaticContact CE1-CG 3.79Å; Y27-H46 AromaticContact CE2-CD2 3.73Å; Y27-H46 AromaticContact CZ-CD2 3.31Å; Y27-H46 AromaticContact CZ-NE2 3.8Å; H46-T49 PolarHBondContact ND1-OG1 2.76Å; H46-S50 VanDerWaalsContact O-CA 3.3Å; H46-S50 WeakPolarHBondContact O-CA 3.46Å; H46-S50 PolarHBondContact O-N 3.02Å; H46-T51 PolarHBondContact N-O 3.2Å; H46-T51 PolarHBondContact O-N 3.09Å; H46-V53 HydrophobicContact CB-CG1 4.29Å
47V93.4Very high94.2Very high67 Ų6750.7 Ų50.741%0.40627%0.274SS..THydrogen-bonded Turntrans-59.6-48-172.1178.60000112.2N26 K28 F45 T49 S50N26-V47 PolarHBondContact O-N 3.11Å; K28-V47 HydrophobicContact CB-CG2 4.42Å; F45-V47 HydrophobicContact CD1-CG2 4.29Å; F45-V47 PolarHBondContact O-N 3.14Å; V47-T49 VanDerWaalsContact C-N 3.34Å; V47-T49 PolarHBondContact O-N 3.4Å; V47-S50 PolarHBondContact O-N 3.44Å
48P91.4Very high94.7Very high80 Ų8042.7 Ų42.752%0.51924%0.239SC..THydrogen-bonded Turntrans-59.3-40-177-25.835.7000114.1N26N26-P48 HydrophobicContact CB-CG 4.15Å
49T92.4Very high95Very high80 Ų8045 Ų4549%0.49125%0.251SS..THydrogen-bonded Turntrans-97.5-4.3179.960.40000113.2H46 V47 T51H46-T49 PolarHBondContact ND1-OG1 2.76Å; V47-T49 VanDerWaalsContact C-N 3.34Å; V47-T49 PolarHBondContact O-N 3.4Å; T49-T51 VanDerWaalsContact C-N 3.27Å; T49-T51 PolarHBondContact O-N 3.26Å; T49-T51 PolarHBondContact OG1-OG1 3.46Å
50S93.3Very high94.5Very high82 Ų8244.5 Ų44.557%0.57325%0.246SC*.THydrogen-bonded Turntrans52.739.7-174.1-66.90000114.2F45 H46 V47F45-S50 VanDerWaalsContact CE2-C 3.44Å; F45-S50 WeakPolarHBondContact CE2-O 3.48Å; F45-S50 VanDerWaalsContact CZ-C 3.45Å; H46-S50 VanDerWaalsContact O-CA 3.3Å; H46-S50 WeakPolarHBondContact O-CA 3.46Å; H46-S50 PolarHBondContact O-N 3.02Å; V47-S50 PolarHBondContact O-N 3.44Å
51T94.3Very high93.7Very high66 Ų6645.2 Ų45.241%0.40525%0.251SS..EExtended strand (participates in β ladder)trans-116.6149.9-178.354.80000112.4H46 T49H46-T51 PolarHBondContact N-O 3.2Å; H46-T51 PolarHBondContact O-N 3.09Å; T49-T51 VanDerWaalsContact C-N 3.27Å; T49-T51 PolarHBondContact O-N 3.26Å; T49-T51 PolarHBondContact OG1-OG1 3.46Å
52S96.9Very high92.6Very high41 Ų4152.1 Ų52.129%0.28728%0.277SS..EExtended strand (participates in β ladder)trans-80137.7170-67.60000110.5R43 A44R43-S52 PolarHBondContact NH2-OG 3Å; A44-S52 WeakPolarHBondContact O-CA 2.85Å
53V97.5Very high91.3Very high4 Ų456.2 Ų56.22%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-132.4159.3175.8-61.70000109.8Y27 A44 H46 V55 F87 V99 M100Y27-V53 HydrophobicContact CD1-CG2 3.89Å; Y27-V53 HydrophobicContact CE1-CG2 3.99Å; A44-V53 HydrophobicContact CB-CG2 3.93Å; A44-V53 PolarHBondContact N-O 3.32Å; A44-V53 PolarHBondContact O-N 3.48Å; H46-V53 HydrophobicContact CB-CG1 4.29Å; V53-V55 HydrophobicContact CG2-CG2 4.15Å; V53-F87 HydrophobicContact CG1-CD2 4.26Å; V53-F87 HydrophobicContact CG1-CE2 4.21Å; V53-V99 HydrophobicContact CB-CG1 4.09Å; V53-V99 HydrophobicContact CG1-CG1 4.29Å; V53-V99 HydrophobicContact CG2-CG1 4.02Å; V53-M100 WeakPolarHBondContact CB-O 3.37Å
54A98.2Very high90.1Very high8 Ų856.2 Ų56.27%0.06630%0.298CS..EExtended strand (participates in β ladder)trans-99.3139.216700000108.6L33 V41 K42 M100 Y102L33-A54 HydrophobicContact CD1-CB 4.29Å; V41-A54 HydrophobicContact CG1-CB 4.44Å; K42-A54 CarbonylContact O-C 3.6Å; K42-A54 WeakPolarHBondContact O-CA 3.29Å; A54-M100 HydrophobicContact CB-CB 4.49Å; A54-M100 HydrophobicContact CB-CE 4.43Å; A54-M100 PolarHBondContact N-O 2.93Å; A54-M100 PolarHBondContact O-N 2.83Å; A54-Y102 HydrophobicContact CB-CD2 4.47Å
55V97.2Very high89.2Confident0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-123.4111177.8-174.30000108.5F23 M29 V41 K42 A44 V53 I57 Y97 L98 V99F23-V55 HydrophobicContact CZ-CG1 4.28Å; M29-V55 HydrophobicContact CE-CB 4.3Å; M29-V55 HydrophobicContact CE-CG1 4.06Å; M29-V55 HydrophobicContact CE-CG2 4.13Å; M29-V55 HydrophobicContact SD-CB 4.33Å; M29-V55 HydrophobicContact SD-CG2 4.3Å; V41-V55 WeakPolarHBondContact CA-O 3.14Å; K42-V55 PolarHBondContact N-O 3.27Å; K42-V55 PolarHBondContact O-N 2.96Å; A44-V55 HydrophobicContact CB-CG2 3.75Å; V53-V55 HydrophobicContact CG2-CG2 4.15Å; V55-I57 HydrophobicContact CG1-CG1 4.08Å; V55-Y97 HydrophobicContact CG1-CD1 3.97Å; V55-L98 WeakPolarHBondContact CA-O 3.35Å; V55-V99 HydrophobicContact CG2-CG2 4.45Å
56K96.2Very high88.4Confident15 Ų1555.9 Ų55.97%0.06530%0.303CS..EExtended strand (participates in β ladder)trans-87.5114.6171.4-178.2172.2-178.8-172.40108.4V41 L58 E71 Y97 L98 M100 D164V41-K56 HydrophobicContact CG2-CB 4.12Å; V41-K56 HydrophobicContact CG2-CD 4.44Å; V41-K56 HydrophobicContact CG2-CG 4.03Å; K56-L58 HydrophobicContact CD-CD1 4.49Å; K56-L58 HydrophobicContact CG-CD1 4.21Å; K56-L58 HydrophobicContact CG-CG 4.16Å; K56-E71 IonicContact NZ-OE1 3.15Å; K56-E71 PolarHBondContact NZ-OE1 3.24Å; K56-E71 IonicContact NZ-OE2 2.67Å; K56-E71 PolarHBondContact NZ-OE2 2.86Å; K56-Y97 WeakPolarHBondContact O-CA 3.46Å; K56-L98 HydrophobicContact CB-CB 4.23Å; K56-L98 HydrophobicContact CD-CD1 4.45Å; K56-L98 PolarHBondContact N-O 3.21Å; K56-L98 PolarHBondContact O-N 3.32Å; K56-M100 HydrophobicContact CB-CE 3.55Å; K56-M100 HydrophobicContact CB-SD 4.47Å; K56-D164 IonicContact NZ-OD1 3.83Å; K56-D164 PolarHBondContact NZ-OD1 2.94Å
57I94.8Very high87.9Confident36 Ų3656.5 Ų56.519%0.18531%0.31CS..EExtended strand (participates in β ladder)trans-100.9119.6-176.3-50.3174.2000107.2S39 V40 K42 V55 T95 Y97S39-I57 CarbonylContact C-O 3.56Å; S39-I57 VanDerWaalsContact CA-O 3.22Å; S39-I57 WeakPolarHBondContact CA-O 3.39Å; V40-I57 PolarHBondContact N-O 3.31Å; V40-I57 WeakPolarHBondContact O-CB 3.33Å; V40-I57 PolarHBondContact O-N 3.06Å; K42-I57 HydrophobicContact CD-CD1 4.15Å; K42-I57 HydrophobicContact CG-CD1 4.16Å; V55-I57 HydrophobicContact CG1-CG1 4.08Å; I57-T95 HydrophobicContact CG2-CG2 3.43Å; I57-T95 VanDerWaalsContact CG2-CG2 3.43Å; I57-Y97 HydrophobicContact CB-CD1 4.43Å; I57-Y97 HydrophobicContact CD1-CD1 4.47Å; I57-Y97 HydrophobicContact CD1-CE1 4.26Å; I57-Y97 HydrophobicContact CG1-CD1 3.86Å; I57-Y97 HydrophobicContact CG1-CE1 4.05Å; I57-Y97 HydrophobicContact CG2-CD1 4.12Å; I57-Y97 HydrophobicContact CG2-CE1 3.81Å
58L92.6Very high87.6Confident15 Ų1553.6 Ų53.68%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-122.3133.5-172.6-70.2153.2000109.9K56 I68 T95 T96 L98K56-L58 HydrophobicContact CD-CD1 4.49Å; K56-L58 HydrophobicContact CG-CD1 4.21Å; K56-L58 HydrophobicContact CG-CG 4.16Å; L58-I68 HydrophobicContact CB-CD1 3.83Å; L58-I68 HydrophobicContact CB-CG1 4.19Å; L58-I68 HydrophobicContact CD1-CG1 4.17Å; L58-I68 HydrophobicContact CD1-CG2 4.17Å; L58-I68 HydrophobicContact CD2-CG1 4.37Å; L58-I68 HydrophobicContact CG-CG1 4.48Å; L58-T95 CarbonylContact O-C 3.51Å; L58-T95 WeakPolarHBondContact O-CA 3.4Å; L58-T95 WeakPolarHBondContact O-CG2 3.39Å; L58-T96 PolarHBondContact N-O 3.11Å; L58-T96 PolarHBondContact O-N 3.33Å; L58-L98 HydrophobicContact CD1-CD1 3.72Å; L58-L98 HydrophobicContact CD1-CG 3.93Å
59Q88.8Confident87.4Confident113 Ų11350.5 Ų50.553%0.52827%0.272SS..EExtended strand (participates in β ladder)trans-81.9121173.7-69.6-178.5-13.100110.5F38 T61 E94F38-Q59 PolarHBondContact O-N 3.17Å; Q59-T61 VanDerWaalsContact C-N 3.33Å; Q59-T61 PolarHBondContact O-N 3.26Å; Q59-E94 CarbonylContact C-O 3.58Å
60N80.5Confident87.4Confident21 Ų2149.8 Ų49.811%0.11226%0.26CS..  trans-78.779.2176.4-62.9-25.3000109.8Q91 E94 T96N60-Q91 PolarHBondContact ND2-NE2 3.23Å; N60-Q91 VanDerWaalsContact ND2-NE2 3.14Å; N60-E94 WeakPolarHBondContact CB-O 3.46Å; N60-E94 PolarHBondContact N-O 3.02Å; N60-T96 VanDerWaalsContact CG-OG1 3.23Å; N60-T96 PolarHBondContact ND2-OG1 3.08Å; N60-T96 WeakPolarHBondContact OD1-CB 3.47Å; N60-T96 PolarHBondContact OD1-OG1 3.5Å
61T78.1Confident87.4Confident51 Ų5146.2 Ų46.231%0.31324%0.235SC..  trans-86.3161.3163.385.10000109.9Q59 E63 Y64 T65Q59-T61 VanDerWaalsContact C-N 3.33Å; Q59-T61 PolarHBondContact O-N 3.26Å; T61-E63 PolarHBondContact O-N 2.99Å; T61-E63 VanDerWaalsContact O-N 3.11Å; T61-E63 PolarHBondContact OG1-N 3.12Å; T61-Y64 HydrophobicContact CG2-CD2 4.34Å; T61-Y64 PolarHBondContact O-N 3.08Å; T61-Y64 VanDerWaalsContact O-N 3.07Å; T61-Y64 WeakPolarHBondContact OG1-CD2 3.27Å; T61-Y64 PolarHBondContact OG1-N 3Å; T61-T65 PolarHBondContact O-N 3.44Å; T61-T65 PolarHBondContact O-OG1 3.48Å
62K74.5Confident87.4Confident181 Ų18143.1 Ų43.179%0.78722%0.215SC*.THydrogen-bonded Turntrans-53.7-32.4177.5-67.6-175.5178.4-1790113
63E70.7Confident87.3Confident153 Ų15345.9 Ų45.972%0.71522%0.219SC*.THydrogen-bonded Turntrans-78.5-33.4-179.8-64.7176.9-179.200112.8T61T61-E63 PolarHBondContact O-N 2.99Å; T61-E63 VanDerWaalsContact O-N 3.11Å; T61-E63 PolarHBondContact OG1-N 3.12Å
64Y73.1Confident87.2Confident75 Ų7545.7 Ų45.729%0.29422%0.218SC..THydrogen-bonded Turntrans-96.4-9.5-174.5-67.8-70.8000114.4F38 T61 S66 P67 I68F38-Y64 HydrophobicContact CD1-CD2 4.49Å; F38-Y64 HydrophobicContact CD1-CE2 4.09Å; F38-Y64 HydrophobicContact CD2-CD2 4.39Å; F38-Y64 HydrophobicContact CD2-CE1 4.06Å; F38-Y64 AromaticContact CD2-CE2 3.65Å; F38-Y64 HydrophobicContact CD2-CE2 3.65Å; F38-Y64 AromaticContact CD2-CZ 3.46Å; F38-Y64 VanDerWaalsContact CD2-CZ 3.46Å; F38-Y64 HydrophobicContact CE1-CE2 4.04Å; F38-Y64 HydrophobicContact CE2-CE1 4.36Å; F38-Y64 AromaticContact CE2-CE2 3.59Å; F38-Y64 HydrophobicContact CE2-CE2 3.59Å; F38-Y64 AromaticContact CE2-CZ 3.4Å; F38-Y64 WeakPolarHBondContact CE2-OH 3.46Å; F38-Y64 HydrophobicContact CG-CD2 4.27Å; F38-Y64 AromaticContact CG-CE2 3.88Å; F38-Y64 HydrophobicContact CG-CE2 3.88Å; F38-Y64 AromaticContact CZ-CE2 3.77Å; F38-Y64 HydrophobicContact CZ-CE2 3.77Å; T61-Y64 HydrophobicContact CG2-CD2 4.34Å; T61-Y64 PolarHBondContact O-N 3.08Å; T61-Y64 VanDerWaalsContact O-N 3.07Å; T61-Y64 WeakPolarHBondContact OG1-CD2 3.27Å; T61-Y64 PolarHBondContact OG1-N 3Å; Y64-S66 PolarHBondContact O-N 3.45Å; Y64-P67 VanDerWaalsContact O-CD 3.32Å; Y64-P67 WeakPolarHBondContact O-CD 3.31Å; Y64-I68 WeakPolarHBondContact O-CB 3.11Å; Y64-I68 WeakPolarHBondContact O-CD1 3.46Å; Y64-I68 WeakPolarHBondContact O-CG1 3.32Å; Y64-I68 PolarHBondContact O-N 3.46Å
65T77.2Confident87.2Confident16 Ų1645.5 Ų45.510%0.09822%0.216CC..Hα-helixtrans-55.9-50.2-180-56.90000110.8L13 T61 I68 C69L13-T65 HydrophobicContact CD2-CG2 3.61Å; T61-T65 PolarHBondContact O-N 3.44Å; T61-T65 PolarHBondContact O-OG1 3.48Å; T65-I68 PolarHBondContact O-N 2.72Å; T65-C69 PolarHBondContact O-N 3.46Å; T65-C69 PolarHBondContact O-SG 3.13Å
66S79.8Confident87Confident45 Ų4550.4 Ų50.432%0.31524%0.238SC..Hα-helixtrans-62.4-49-179.7179.40000114.1M9 Y64 I68 C69 R70M9-S66 WeakPolarHBondContact SD-CB 3.44Å; M9-S66 PolarHBondContact SD-OG 3.23Å; Y64-S66 PolarHBondContact O-N 3.45Å; S66-I68 VanDerWaalsContact C-N 3.32Å; S66-I68 PolarHBondContact O-N 2.95Å; S66-C69 PolarHBondContact O-N 3.38Å; S66-R70 PolarHBondContact O-N 3.48Å
67P85.5Confident87Confident38 Ų3852.6 Ų52.625%0.24726%0.255CS..Hα-helixtrans-54.4-43171.1-28.733.2000114.2Y64 R70 E71Y64-P67 VanDerWaalsContact O-CD 3.32Å; Y64-P67 WeakPolarHBondContact O-CD 3.31Å; P67-R70 PolarHBondContact O-N 3.39Å; P67-E71 WeakPolarHBondContact O-CB 3.48Å; P67-E71 PolarHBondContact O-N 3.16Å
68I87.7Confident87.1Confident6 Ų651.3 Ų51.33%0.03125%0.248CC..Hα-helixtrans-64.8-44.3179.5-65.8164.5000110.7L58 Y64 T65 S66 R70 E71 A72 T96L58-I68 HydrophobicContact CB-CD1 3.83Å; L58-I68 HydrophobicContact CB-CG1 4.19Å; L58-I68 HydrophobicContact CD1-CG1 4.17Å; L58-I68 HydrophobicContact CD1-CG2 4.17Å; L58-I68 HydrophobicContact CD2-CG1 4.37Å; L58-I68 HydrophobicContact CG-CG1 4.48Å; Y64-I68 WeakPolarHBondContact O-CB 3.11Å; Y64-I68 WeakPolarHBondContact O-CD1 3.46Å; Y64-I68 WeakPolarHBondContact O-CG1 3.32Å; Y64-I68 PolarHBondContact O-N 3.46Å; T65-I68 PolarHBondContact O-N 2.72Å; S66-I68 VanDerWaalsContact C-N 3.32Å; S66-I68 PolarHBondContact O-N 2.95Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 2.88Å; I68-E71 PolarHBondContact O-N 3.37Å; I68-A72 WeakPolarHBondContact O-CB 3.44Å; I68-A72 PolarHBondContact O-N 3.36Å; I68-T96 HydrophobicContact CG2-CG2 3.81Å
69C87.2Confident87.3Confident14 Ų1454.1 Ų54.110%0.09527%0.269CS..Hα-helixtrans-57-46.9174.5-54.10000111.2L13 T65 S66 A72 R73L13-C69 WeakPolarHBondContact CB-SG 3.27Å; L13-C69 HydrophobicContact CD1-CB 4.07Å; L13-C69 WeakPolarHBondContact CD1-SG 3.21Å; L13-C69 VanDerWaalsContact CD2-SG 3.58Å; T65-C69 PolarHBondContact O-N 3.46Å; T65-C69 PolarHBondContact O-SG 3.13Å; S66-C69 PolarHBondContact O-N 3.38Å; C69-A72 PolarHBondContact O-N 2.87Å; C69-R73 WeakPolarHBondContact O-CB 3.4Å; C69-R73 PolarHBondContact O-N 3.19Å
70R91.8Very high87.7Confident66 Ų6650.1 Ų50.125%0.24925%0.25CS..Hα-helixtrans-63.7-46.6-178.4-175.3175.167.6-120.2-7.8111S66 P67 I68 R73 I74 A168S66-R70 PolarHBondContact O-N 3.48Å; P67-R70 PolarHBondContact O-N 3.39Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 2.88Å; R70-R73 PolarHBondContact O-N 3.32Å; R70-I74 HydrophobicContact CG-CD1 3.77Å; R70-I74 HydrophobicContact CG-CG1 4.37Å; R70-I74 WeakPolarHBondContact O-CB 3.46Å; R70-I74 WeakPolarHBondContact O-CG1 3.44Å; R70-I74 PolarHBondContact O-N 2.93Å; R70-A168 PolarHBondContact NE-O 3.31Å
71E94.1Very high88.5Confident7 Ų750 Ų503%0.03325%0.251CS..Hα-helixtrans-56.9-52.9176.6-179.9174.1-171.700110.8K56 P67 I68 R73 I74 M75 L98 F165 G166K56-E71 IonicContact NZ-OE1 3.15Å; K56-E71 PolarHBondContact NZ-OE1 3.24Å; K56-E71 IonicContact NZ-OE2 2.67Å; K56-E71 PolarHBondContact NZ-OE2 2.86Å; P67-E71 WeakPolarHBondContact O-CB 3.48Å; P67-E71 PolarHBondContact O-N 3.16Å; I68-E71 PolarHBondContact O-N 3.37Å; E71-R73 VanDerWaalsContact C-N 3.35Å; E71-R73 PolarHBondContact O-N 3.39Å; E71-I74 PolarHBondContact O-N 3.12Å; E71-M75 HydrophobicContact CG-CG 4.43Å; E71-M75 HydrophobicContact CG-SD 3.99Å; E71-M75 WeakPolarHBondContact O-CB 3.39Å; E71-M75 VanDerWaalsContact O-CG 3.3Å; E71-M75 WeakPolarHBondContact O-CG 3.31Å; E71-M75 PolarHBondContact O-N 3.19Å; E71-L98 HydrophobicContact CG-CD1 4.22Å; E71-F165 HydrophobicContact CG-CB 4.34Å; E71-G166 WeakPolarHBondContact OE2-CA 3.29Å
72A92.7Very high89.5Confident0 Ų047.8 Ų47.80%024%0.237CC..Hα-helixtrans-60.3-43-179.800000112.4I68 C69 K76 V89 L98I68-A72 WeakPolarHBondContact O-CB 3.44Å; I68-A72 PolarHBondContact O-N 3.36Å; C69-A72 PolarHBondContact O-N 2.87Å; A72-K76 WeakPolarHBondContact O-CB 3.3Å; A72-K76 VanDerWaalsContact O-CG 3.29Å; A72-K76 WeakPolarHBondContact O-CG 3.49Å; A72-K76 PolarHBondContact O-N 3.15Å; A72-V89 HydrophobicContact CB-CG1 4.35Å; A72-V89 HydrophobicContact CB-CG2 4.22Å; A72-L98 HydrophobicContact CB-CD2 4.17Å
73R94.4Very high90.7Very high99 Ų9939.3 Ų39.337%0.37420%0.2SC..Hα-helixtrans-65.5-45.9179.5-174.5173.260.375-2.4112.1C69 R70 E71 K76 S77 E170C69-R73 WeakPolarHBondContact O-CB 3.4Å; C69-R73 PolarHBondContact O-N 3.19Å; R70-R73 PolarHBondContact O-N 3.32Å; E71-R73 VanDerWaalsContact C-N 3.35Å; E71-R73 PolarHBondContact O-N 3.39Å; R73-K76 PolarHBondContact O-N 3.16Å; R73-S77 PolarHBondContact O-N 2.99Å; R73-E170 IonicContact CZ-OE1 2.83Å; R73-E170 IonicContact CZ-OE2 2.73Å; R73-E170 IonicContact NH1-OE1 2.69Å; R73-E170 PolarHBondContact NH1-OE1 3.42Å; R73-E170 IonicContact NH1-OE2 2.71Å; R73-E170 PolarHBondContact NH1-OE2 3.12Å; R73-E170 IonicContact NH2-OE1 3.24Å; R73-E170 IonicContact NH2-OE2 3.62Å; R73-E170 PolarHBondContact NH2-OE2 3.47Å
74I96.7Very high92Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-59.6-53.8174.9-74.8174.5000109.6R70 E71 K76 S77 L78 I142 F165 A168 E170R70-I74 HydrophobicContact CG-CD1 3.77Å; R70-I74 HydrophobicContact CG-CG1 4.37Å; R70-I74 WeakPolarHBondContact O-CB 3.46Å; R70-I74 WeakPolarHBondContact O-CG1 3.44Å; R70-I74 PolarHBondContact O-N 2.93Å; E71-I74 PolarHBondContact O-N 3.12Å; I74-K76 VanDerWaalsContact C-N 3.27Å; I74-K76 PolarHBondContact O-N 2.81Å; I74-S77 WeakPolarHBondContact O-CB 3.34Å; I74-S77 PolarHBondContact O-N 3.37Å; I74-S77 PolarHBondContact O-OG 3.41Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 WeakPolarHBondContact O-CG 3.41Å; I74-L78 PolarHBondContact O-N 3.06Å; I74-I142 HydrophobicContact CG2-CD1 4.03Å; I74-I142 HydrophobicContact CG2-CG1 4.35Å; I74-I142 HydrophobicContact CG2-CG2 3.86Å; I74-F165 HydrophobicContact CG2-CB 4.39Å; I74-F165 HydrophobicContact CG2-CD1 3.83Å; I74-F165 HydrophobicContact CG2-CG 4.37Å; I74-A168 HydrophobicContact CD1-CB 3.79Å; I74-A168 HydrophobicContact CG2-CB 4.3Å; I74-E170 HydrophobicContact CD1-CG 4.49Å; I74-E170 HydrophobicContact CG1-CG 4.45Å
75M97Very high93.2Very high4 Ų434 Ų342%0.0218%0.176CC..Hα-helixtrans-61.3-33.6-176.4-70.8-172.67800113.3E71 S77 L78 L86 M100 F165E71-M75 HydrophobicContact CG-CG 4.43Å; E71-M75 HydrophobicContact CG-SD 3.99Å; E71-M75 WeakPolarHBondContact O-CB 3.39Å; E71-M75 VanDerWaalsContact O-CG 3.3Å; E71-M75 WeakPolarHBondContact O-CG 3.31Å; E71-M75 PolarHBondContact O-N 3.19Å; M75-S77 VanDerWaalsContact C-N 3.28Å; M75-S77 PolarHBondContact O-N 3.13Å; M75-L78 PolarHBondContact O-N 2.76Å; M75-L86 HydrophobicContact CB-CB 3.9Å; M75-L86 HydrophobicContact CB-CD2 3.66Å; M75-L86 HydrophobicContact CB-CG 4.42Å; M75-L86 HydrophobicContact CE-CB 4.28Å; M75-M100 HydrophobicContact CE-CG 4.39Å; M75-M100 HydrophobicContact CE-SD 3.73Å; M75-M100 HydrophobicContact SD-SD 4.38Å; M75-F165 HydrophobicContact CE-CD2 4.4Å; M75-F165 HydrophobicContact CG-CB 3.84Å; M75-F165 HydrophobicContact CG-CD2 3.97Å; M75-F165 HydrophobicContact CG-CG 4.05Å; M75-F165 HydrophobicContact SD-CB 4.39Å; M75-F165 HydrophobicContact SD-CD2 4.43Å
76K94.1Very high94.1Very high104 Ų10433.9 Ų33.945%0.45218%0.175SC..Hα-helixtrans-64-31.6173.5-81.4-178.4174.4-157.60113.8C16 A72 R73 I74 L78 L86C16-K76 VanDerWaalsContact C-NZ 3.27Å; C16-K76 VanDerWaalsContact CA-NZ 3.27Å; C16-K76 VanDerWaalsContact O-CE 3.32Å; C16-K76 WeakPolarHBondContact O-CE 3.46Å; C16-K76 PolarHBondContact O-NZ 2.69Å; A72-K76 WeakPolarHBondContact O-CB 3.3Å; A72-K76 VanDerWaalsContact O-CG 3.29Å; A72-K76 WeakPolarHBondContact O-CG 3.49Å; A72-K76 PolarHBondContact O-N 3.15Å; R73-K76 PolarHBondContact O-N 3.16Å; I74-K76 VanDerWaalsContact C-N 3.27Å; I74-K76 PolarHBondContact O-N 2.81Å; K76-L78 VanDerWaalsContact C-N 3.27Å; K76-L86 HydrophobicContact CG-CD2 3.88Å
77S95.3Very high94.7Very high61 Ų6136 Ų3643%0.42718%0.179SC..Hα-helixtrans-78.1-13.3178.774.40000113.3R73 I74 M75R73-S77 PolarHBondContact O-N 2.99Å; I74-S77 WeakPolarHBondContact O-CB 3.34Å; I74-S77 PolarHBondContact O-N 3.37Å; I74-S77 PolarHBondContact O-OG 3.41Å; M75-S77 VanDerWaalsContact C-N 3.28Å; M75-S77 PolarHBondContact O-N 3.13Å
78L96.9Very high95Very high9 Ų937.5 Ų37.55%0.04718%0.182CC..  trans-96.6125.2-174.6-63175000111.5I74 M75 K76 I83 Y136 I142 F165I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 WeakPolarHBondContact O-CG 3.41Å; I74-L78 PolarHBondContact O-N 3.06Å; M75-L78 PolarHBondContact O-N 2.76Å; K76-L78 VanDerWaalsContact C-N 3.27Å; L78-I83 HydrophobicContact CB-CG2 4.38Å; L78-I83 HydrophobicContact CD1-CD1 4.43Å; L78-I83 HydrophobicContact CD1-CG2 4.37Å; L78-I83 HydrophobicContact CD2-CD1 4.47Å; L78-Y136 HydrophobicContact CD2-CD1 3.86Å; L78-Y136 HydrophobicContact CD2-CE1 3.69Å; L78-I142 HydrophobicContact CD2-CD1 3.73Å; L78-I142 HydrophobicContact CG-CD1 4.26Å; L78-F165 HydrophobicContact CD1-CD1 3.83Å; L78-F165 HydrophobicContact CD1-CE1 3.31Å; L78-F165 HydrophobicContact CD1-CE2 4.22Å; L78-F165 HydrophobicContact CD1-CG 4.48Å; L78-F165 HydrophobicContact CD1-CZ 3.54Å
79S97Very high95.2Very high73 Ų7337.2 Ų37.251%0.5118%0.181SC..  trans-139.189.9175.3-175.60000109.7Y136S79-Y136 PolarHBondContact N-OH 3.31Å; S79-Y136 PolarHBondContact O-OH 3.07Å
80H98.2Very high95.3Very high29 Ų2936.7 Ų36.713%0.13418%0.177CC..  trans-143.7139.9-176.8-173.5-93.2000110.4N82 I83 Y136H80-N82 PolarHBondContact CE1-OD1 2.97Å; H80-N82 PolarHBondContact ND1-N 3.3Å; H80-N82 VanDerWaalsContact ND1-N 3.11Å; H80-N82 PolarHBondContact O-N 3.29Å; H80-I83 HydrophobicContact CB-CB 4.2Å; H80-I83 HydrophobicContact CB-CD1 3.8Å; H80-I83 HydrophobicContact CB-CG1 3.94Å; H80-I83 PolarHBondContact O-N 3.02Å; H80-Y136 HydrophobicContact CB-CD1 4.09Å; H80-Y136 HydrophobicContact CB-CD2 4.14Å; H80-Y136 HydrophobicContact CB-CE1 4.43Å; H80-Y136 HydrophobicContact CB-CE2 4.43Å; H80-Y136 HydrophobicContact CB-CG 3.95Å; H80-Y136 AromaticContact CD2-CD2 3.65Å; H80-Y136 AromaticContact CD2-CG 3.84Å
81P97.7Very high95Very high20 Ų2036.8 Ų36.813%0.1318%0.181CC..THydrogen-bonded Turntrans-62.3-26.3-17624.9-36.4000113.9K161 P283P81-K161 PolarHBondContact O-NZ 3.42Å; P81-P283 HydrophobicContact CB-CB 4.29Å; P81-P283 HydrophobicContact CB-CG 3.79Å; P81-P283 HydrophobicContact CG-CG 4.15Å
82N98.4Very high94.5Very high3 Ų339.4 Ų39.42%0.01619%0.19CC..THydrogen-bonded Turntrans-99.120.5177-54.9108.4000113.8H80 Q129 A133 A160 K161 L162H80-N82 PolarHBondContact CE1-OD1 2.97Å; H80-N82 PolarHBondContact ND1-N 3.3Å; H80-N82 VanDerWaalsContact ND1-N 3.11Å; H80-N82 PolarHBondContact O-N 3.29Å; N82-Q129 HydrophobicContact CB-CB 4.43Å; N82-Q129 WeakPolarHBondContact CB-O 3.46Å; N82-Q129 WeakPolarHBondContact ND2-CB 3.5Å; N82-A133 HydrophobicContact CB-CB 4Å; N82-A133 VanDerWaalsContact O-CB 3.31Å; N82-A133 WeakPolarHBondContact O-CB 3.37Å; N82-A160 WeakPolarHBondContact CA-O 3.44Å; N82-A160 WeakPolarHBondContact CB-O 3.4Å; N82-A160 PolarHBondContact ND2-O 3.21Å; N82-K161 CarbonylContact O-C 3.41Å; N82-K161 WeakPolarHBondContact O-CA 3.38Å; N82-L162 PolarHBondContact O-N 3.46Å
83I98.8Very high94Very high4 Ų451 Ų512%0.02123%0.234CC..BIsolated β-bridgetrans-123.6137.8170.7-62.6177.1000108L78 H80 K85 A133 Y136 F165L78-I83 HydrophobicContact CB-CG2 4.38Å; L78-I83 HydrophobicContact CD1-CD1 4.43Å; L78-I83 HydrophobicContact CD1-CG2 4.37Å; L78-I83 HydrophobicContact CD2-CD1 4.47Å; H80-I83 HydrophobicContact CB-CB 4.2Å; H80-I83 HydrophobicContact CB-CD1 3.8Å; H80-I83 HydrophobicContact CB-CG1 3.94Å; H80-I83 PolarHBondContact O-N 3.02Å; I83-K85 PolarHBondContact O-N 2.8Å; I83-A133 HydrophobicContact CD1-CB 4.38Å; I83-A133 HydrophobicContact CG1-CB 3.76Å; I83-Y136 HydrophobicContact CD1-CD1 4.04Å; I83-F165 HydrophobicContact CG2-CE2 3.72Å; I83-F165 HydrophobicContact CG2-CZ 3.75Å
84I98.5Very high93.6Very high6 Ų653.5 Ų53.53%0.03125%0.25CC..PPolyproline II helixtrans-62.1121.5173.8-70.5-65.4000109.8M100 E101 A103 L153 K161 L162 C163I84-M100 HydrophobicContact CG2-CB 3.92Å; I84-M100 HydrophobicContact CG2-SD 4.47Å; I84-E101 HydrophobicContact CD1-CB 4.37Å; I84-E101 HydrophobicContact CD1-CG 4.43Å; I84-E101 HydrophobicContact CG2-CB 4.22Å; I84-A103 HydrophobicContact CD1-CB 3.97Å; I84-L153 HydrophobicContact CD1-CD1 4.02Å; I84-L153 HydrophobicContact CG1-CD1 4.13Å; I84-K161 HydrophobicContact CD1-CB 3.82Å; I84-K161 HydrophobicContact CD1-CD 3.85Å; I84-K161 HydrophobicContact CD1-CG 4.47Å; I84-K161 HydrophobicContact CG1-CB 4.07Å; I84-L162 PolarHBondContact N-O 3.36Å; I84-C163 HydrophobicContact CB-CB 4.06Å; I84-C163 HydrophobicContact CG1-CB 3.53Å
85K97.6Very high93.2Very high109 Ų10955 Ų5547%0.47426%0.26SS..PPolyproline II helixtrans-76.4134.7-179.9-174.4167.1177.4-179.80111.7I83 F87 M100 E101I83-K85 PolarHBondContact O-N 2.8Å; K85-F87 HydrophobicContact CB-CE1 4.23Å; K85-F87 HydrophobicContact CD-CD1 4.17Å; K85-F87 HydrophobicContact CD-CE1 3.81Å; K85-F87 HydrophobicContact CG-CD1 4.08Å; K85-F87 HydrophobicContact CG-CE1 3.95Å; K85-M100 CarbonylContact O-C 3.57Å; K85-M100 VanDerWaalsContact O-CA 3.26Å; K85-M100 WeakPolarHBondContact O-CA 3.48Å; K85-E101 HydrophobicContact CB-CB 4.26Å; K85-E101 PolarHBondContact N-OE2 3.36Å; K85-E101 PolarHBondContact O-N 3.12Å
86L96.5Very high93Very high15 Ų1554.9 Ų54.98%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-86.8122.6165.5-179.862.1000109.2M75 K76 V89 L98 M100M75-L86 HydrophobicContact CB-CB 3.9Å; M75-L86 HydrophobicContact CB-CD2 3.66Å; M75-L86 HydrophobicContact CB-CG 4.42Å; M75-L86 HydrophobicContact CE-CB 4.28Å; K76-L86 HydrophobicContact CG-CD2 3.88Å; L86-V89 HydrophobicContact CD1-CG2 4.24Å; L86-V89 HydrophobicContact CD2-CG2 3.75Å; L86-V89 HydrophobicContact CG-CG2 4.21Å; L86-L98 HydrophobicContact CD1-CB 3.84Å; L86-L98 HydrophobicContact CD1-CD2 4.46Å; L86-M100 HydrophobicContact CD1-CG 3.9Å
87F93.2Very high92.9Very high88 Ų8851.9 Ų51.939%0.38625%0.245SC..EExtended strand (participates in β ladder)trans-92-54178.1-59.2-52.2000111.6V53 K85 V99 E101V53-F87 HydrophobicContact CG1-CD2 4.26Å; V53-F87 HydrophobicContact CG1-CE2 4.21Å; K85-F87 HydrophobicContact CB-CE1 4.23Å; K85-F87 HydrophobicContact CD-CD1 4.17Å; K85-F87 HydrophobicContact CD-CE1 3.81Å; K85-F87 HydrophobicContact CG-CD1 4.08Å; K85-F87 HydrophobicContact CG-CE1 3.95Å; F87-V99 WeakPolarHBondContact CA-O 3.43Å; F87-V99 HydrophobicContact CB-CG1 4.45Å; F87-V99 WeakPolarHBondContact CB-O 3.49Å; F87-V99 HydrophobicContact CD2-CG1 4.41Å; F87-V99 PolarHBondContact N-O 2.93Å; F87-E101 VanDerWaalsContact CE2-CA 3.5Å; F87-E101 HydrophobicContact CE2-CB 4.18Å; F87-E101 VanDerWaalsContact CE2-N 3.33Å; F87-E101 HydrophobicContact CZ-CB 4.01Å
88H90.7Very high92.9Very high70 Ų7049 Ų4932%0.32423%0.225SC..EExtended strand (participates in β ladder)trans-139.9151.2-174.7-58.6-76.7000111.3Y27 V99Y27-H88 PolarHBondContact OH-CD2 3.01Å; Y27-H88 VanDerWaalsContact OH-CD2 3.28Å; H88-V99 HydrophobicContact CB-CB 4.02Å; H88-V99 HydrophobicContact CB-CG2 4.17Å; H88-V99 PolarHBondContact N-O 3.28Å; H88-V99 PolarHBondContact O-N 3.12Å
89V91.8Very high92.9Very high1 Ų148.6 Ų48.61%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-122.9118.5171.5-170.40000106.4Y17 S18 A72 L86 T96 Y97 L98Y17-V89 WeakPolarHBondContact CA-O 3.46Å; Y17-V89 HydrophobicContact CD1-CB 3.95Å; Y17-V89 HydrophobicContact CD1-CG1 3.34Å; Y17-V89 HydrophobicContact CE1-CB 4.39Å; Y17-V89 HydrophobicContact CE1-CG1 3.32Å; S18-V89 PolarHBondContact N-O 3.15Å; S18-V89 PolarHBondContact OG-O 2.94Å; A72-V89 HydrophobicContact CB-CG1 4.35Å; A72-V89 HydrophobicContact CB-CG2 4.22Å; L86-V89 HydrophobicContact CD1-CG2 4.24Å; L86-V89 HydrophobicContact CD2-CG2 3.75Å; L86-V89 HydrophobicContact CG-CG2 4.21Å; V89-T96 HydrophobicContact CG1-CG2 4.03Å; V89-Y97 WeakPolarHBondContact CA-O 3.34Å; V89-L98 HydrophobicContact CB-CD2 4.41Å; V89-L98 HydrophobicContact CG1-CD2 3.71Å; V89-L98 HydrophobicContact CG2-CD2 4.13Å
90V89.9Confident92.9Very high2 Ų245.9 Ų45.91%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-118.9127.8-178.6-178.60000108.4E20 F23 R92 T96 Y97E20-V90 HydrophobicContact CB-CG2 4.34Å; E20-V90 HydrophobicContact CG-CG2 4.46Å; F23-V90 HydrophobicContact CB-CG1 4.36Å; F23-V90 HydrophobicContact CD2-CB 4.2Å; F23-V90 HydrophobicContact CD2-CG1 4.15Å; F23-V90 HydrophobicContact CD2-CG2 3.84Å; F23-V90 HydrophobicContact CE2-CB 4.38Å; F23-V90 HydrophobicContact CE2-CG2 4.15Å; F23-V90 HydrophobicContact CG-CG1 4.25Å; V90-R92 HydrophobicContact CG1-CG 4.19Å; V90-T96 CarbonylContact O-C 3.59Å; V90-Y97 PolarHBondContact N-O 3.39Å; V90-Y97 WeakPolarHBondContact O-CD2 3.41Å; V90-Y97 PolarHBondContact O-N 2.87Å
91Q85.8Confident92.9Very high69 Ų6946.7 Ų46.732%0.32221%0.206SC..EExtended strand (participates in β ladder)trans-108.8132.5173.1-157.5-174.823.700110Y17 N60Y17-Q91 HydrophobicContact CD1-CB 3.92Å; Y17-Q91 HydrophobicContact CD2-CB 3.76Å; Y17-Q91 HydrophobicContact CE1-CB 3.67Å; Y17-Q91 HydrophobicContact CE1-CG 4.27Å; Y17-Q91 HydrophobicContact CE2-CB 3.54Å; Y17-Q91 HydrophobicContact CE2-CG 3.86Å; Y17-Q91 HydrophobicContact CG-CB 3.96Å; Y17-Q91 VanDerWaalsContact CZ-CB 3.43Å; Y17-Q91 VanDerWaalsContact CZ-CD 3.44Å; Y17-Q91 WeakPolarHBondContact OH-CG 3.39Å; Y17-Q91 PolarHBondContact OH-NE2 3.31Å; N60-Q91 PolarHBondContact ND2-NE2 3.23Å; N60-Q91 VanDerWaalsContact ND2-NE2 3.14Å
92R84.2Confident92.9Very high62 Ų6248.4 Ų48.423%0.23421%0.21CC..EExtended strand (participates in β ladder)trans-139.4114.8173.7-66.5177.6164.3-143.2-13.2109E20 E21 F23 D24 V90 E94 T95 Y97E20-R92 PolarHBondContact O-NH2 3.08Å; E21-R92 PolarHBondContact O-NH2 3.07Å; F23-R92 VanDerWaalsContact CB-CZ 3.48Å; F23-R92 VanDerWaalsContact CB-NH2 3.34Å; D24-R92 IonicContact OD1-NH1 3.58Å; D24-R92 PolarHBondContact OD1-NH1 3.11Å; D24-R92 VanDerWaalsContact OD1-NH1 3.15Å; D24-R92 IonicContact OD2-CZ 2.69Å; D24-R92 IonicContact OD2-NH1 3.37Å; D24-R92 PolarHBondContact OD2-NH1 3.32Å; V90-R92 HydrophobicContact CG1-CG 4.19Å; R92-E94 PolarHBondContact O-N 3.24Å; R92-T95 PolarHBondContact N-O 2.92Å; R92-T95 PolarHBondContact O-N 2.93Å; R92-Y97 HydrophobicContact CB-CE2 4.16Å; R92-Y97 HydrophobicContact CG-CE2 4.48Å
93R82.2Confident92.8Very high243 Ų24348.6 Ų48.692%0.91721%0.212SC*.THydrogen-bonded Turntrans51.4-122.2-177.3-56.4177.8178164.2-0.8110.4T95R93-T95 VanDerWaalsContact C-N 3.28Å; R93-T95 PolarHBondContact O-N 3.46Å
94E84.9Confident92.7Very high151 Ų15150.6 Ų50.671%0.70623%0.227SC*.THydrogen-bonded Turntrans-90.820.3-179.2-59179176.200112.7Q59 N60 R92Q59-E94 CarbonylContact C-O 3.58Å; N60-E94 WeakPolarHBondContact CB-O 3.46Å; N60-E94 PolarHBondContact N-O 3.02Å; R92-E94 PolarHBondContact O-N 3.24Å
95T89.4Confident92.6Very high33 Ų3354.8 Ų54.820%0.20225%0.246CC..EExtended strand (participates in β ladder)trans-129.5134.4-178.6-50.40000111.3I57 L58 R92 R93 Y97I57-T95 HydrophobicContact CG2-CG2 3.43Å; I57-T95 VanDerWaalsContact CG2-CG2 3.43Å; L58-T95 CarbonylContact O-C 3.51Å; L58-T95 WeakPolarHBondContact O-CA 3.4Å; L58-T95 WeakPolarHBondContact O-CG2 3.39Å; R92-T95 PolarHBondContact N-O 2.92Å; R92-T95 PolarHBondContact O-N 2.93Å; R93-T95 VanDerWaalsContact C-N 3.28Å; R93-T95 PolarHBondContact O-N 3.46Å; T95-Y97 HydrophobicContact CG2-CD2 4.12Å; T95-Y97 HydrophobicContact CG2-CE1 4.17Å; T95-Y97 HydrophobicContact CG2-CE2 3.5Å
96T91.4Very high92.5Very high0 Ų051 Ų510%024%0.238CC..EExtended strand (participates in β ladder)trans-109.1135.5169-64.10000109.7Y17 L58 N60 I68 V89 V90 L98Y17-T96 HydrophobicContact CE1-CG2 4.11Å; Y17-T96 PolarHBondContact OH-OG1 3.02Å; L58-T96 PolarHBondContact N-O 3.11Å; L58-T96 PolarHBondContact O-N 3.33Å; N60-T96 VanDerWaalsContact CG-OG1 3.23Å; N60-T96 PolarHBondContact ND2-OG1 3.08Å; N60-T96 WeakPolarHBondContact OD1-CB 3.47Å; N60-T96 PolarHBondContact OD1-OG1 3.5Å; I68-T96 HydrophobicContact CG2-CG2 3.81Å; V89-T96 HydrophobicContact CG1-CG2 4.03Å; V90-T96 CarbonylContact O-C 3.59Å; T96-L98 HydrophobicContact CG2-CD2 3.95Å
97Y93.3Very high92.6Very high42 Ų4253.1 Ų53.117%0.16525%0.248CC..EExtended strand (participates in β ladder)trans-115.6119.5177.7-57.3-101.2000108.6F23 V55 K56 I57 V89 V90 R92 T95F23-Y97 AromaticContact CE1-CD1 3.69Å; F23-Y97 HydrophobicContact CE1-CD1 3.69Å; F23-Y97 HydrophobicContact CE1-CD2 4.47Å; F23-Y97 AromaticContact CE1-CE1 3.9Å; F23-Y97 HydrophobicContact CE1-CE1 3.9Å; F23-Y97 HydrophobicContact CE1-CG 4Å; F23-Y97 AromaticContact CZ-CD1 3.61Å; F23-Y97 HydrophobicContact CZ-CD1 3.61Å; F23-Y97 HydrophobicContact CZ-CE1 4.29Å; F23-Y97 AromaticContact CZ-CG 3.78Å; F23-Y97 HydrophobicContact CZ-CG 3.78Å; V55-Y97 HydrophobicContact CG1-CD1 3.97Å; K56-Y97 WeakPolarHBondContact O-CA 3.46Å; I57-Y97 HydrophobicContact CB-CD1 4.43Å; I57-Y97 HydrophobicContact CD1-CD1 4.47Å; I57-Y97 HydrophobicContact CD1-CE1 4.26Å; I57-Y97 HydrophobicContact CG1-CD1 3.86Å; I57-Y97 HydrophobicContact CG1-CE1 4.05Å; I57-Y97 HydrophobicContact CG2-CD1 4.12Å; I57-Y97 HydrophobicContact CG2-CE1 3.81Å; V89-Y97 WeakPolarHBondContact CA-O 3.34Å; V90-Y97 PolarHBondContact N-O 3.39Å; V90-Y97 WeakPolarHBondContact O-CD2 3.41Å; V90-Y97 PolarHBondContact O-N 2.87Å; R92-Y97 HydrophobicContact CB-CE2 4.16Å; R92-Y97 HydrophobicContact CG-CE2 4.48Å; T95-Y97 HydrophobicContact CG2-CD2 4.12Å; T95-Y97 HydrophobicContact CG2-CE1 4.17Å; T95-Y97 HydrophobicContact CG2-CE2 3.5Å
98L95.2Very high92.9Very high0 Ų049 Ų490%023%0.229CC..EExtended strand (participates in β ladder)trans-98.8107.9170.9-50.7-176000108V55 K56 L58 E71 A72 L86 V89 T96 M100V55-L98 WeakPolarHBondContact CA-O 3.35Å; K56-L98 HydrophobicContact CB-CB 4.23Å; K56-L98 HydrophobicContact CD-CD1 4.45Å; K56-L98 PolarHBondContact N-O 3.21Å; K56-L98 PolarHBondContact O-N 3.32Å; L58-L98 HydrophobicContact CD1-CD1 3.72Å; L58-L98 HydrophobicContact CD1-CG 3.93Å; E71-L98 HydrophobicContact CG-CD1 4.22Å; A72-L98 HydrophobicContact CB-CD2 4.17Å; L86-L98 HydrophobicContact CD1-CB 3.84Å; L86-L98 HydrophobicContact CD1-CD2 4.46Å; V89-L98 HydrophobicContact CB-CD2 4.41Å; V89-L98 HydrophobicContact CG1-CD2 3.71Å; V89-L98 HydrophobicContact CG2-CD2 4.13Å; T96-L98 HydrophobicContact CG2-CD2 3.95Å; L98-M100 HydrophobicContact CB-CG 4.24Å; L98-M100 HydrophobicContact CB-SD 4.3Å
99V95.8Very high93.2Very high0 Ų048.6 Ų48.60%023%0.228CC..EExtended strand (participates in β ladder)trans-87116.7176.2-176.90000108.4F23 Y27 V53 V55 F87 H88F23-V99 HydrophobicContact CE2-CG2 3.88Å; Y27-V99 HydrophobicContact CD1-CG1 4.34Å; Y27-V99 HydrophobicContact CE1-CB 4.41Å; Y27-V99 HydrophobicContact CE1-CG1 3.46Å; Y27-V99 VanDerWaalsContact CE1-CG1 3.46Å; Y27-V99 HydrophobicContact CE1-CG2 4.07Å; V53-V99 HydrophobicContact CB-CG1 4.09Å; V53-V99 HydrophobicContact CG1-CG1 4.29Å; V53-V99 HydrophobicContact CG2-CG1 4.02Å; V55-V99 HydrophobicContact CG2-CG2 4.45Å; F87-V99 WeakPolarHBondContact CA-O 3.43Å; F87-V99 HydrophobicContact CB-CG1 4.45Å; F87-V99 WeakPolarHBondContact CB-O 3.49Å; F87-V99 HydrophobicContact CD2-CG1 4.41Å; F87-V99 PolarHBondContact N-O 2.93Å; H88-V99 HydrophobicContact CB-CB 4.02Å; H88-V99 HydrophobicContact CB-CG2 4.17Å; H88-V99 PolarHBondContact N-O 3.28Å; H88-V99 PolarHBondContact O-N 3.12Å
100M97.7Very high93.5Very high17 Ų1753.1 Ų53.18%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-128.8163.7-167.7-57.8179-59.600112V53 A54 K56 M75 I84 K85 L86 L98 Y102V53-M100 WeakPolarHBondContact CB-O 3.37Å; A54-M100 HydrophobicContact CB-CB 4.49Å; A54-M100 HydrophobicContact CB-CE 4.43Å; A54-M100 PolarHBondContact N-O 2.93Å; A54-M100 PolarHBondContact O-N 2.83Å; K56-M100 HydrophobicContact CB-CE 3.55Å; K56-M100 HydrophobicContact CB-SD 4.47Å; M75-M100 HydrophobicContact CE-CG 4.39Å; M75-M100 HydrophobicContact CE-SD 3.73Å; M75-M100 HydrophobicContact SD-SD 4.38Å; I84-M100 HydrophobicContact CG2-CB 3.92Å; I84-M100 HydrophobicContact CG2-SD 4.47Å; K85-M100 CarbonylContact O-C 3.57Å; K85-M100 VanDerWaalsContact O-CA 3.26Å; K85-M100 WeakPolarHBondContact O-CA 3.48Å; L86-M100 HydrophobicContact CD1-CG 3.9Å; L98-M100 HydrophobicContact CB-CG 4.24Å; L98-M100 HydrophobicContact CB-SD 4.3Å; M100-Y102 PolarHBondContact O-N 3.42Å
101E97.5Very high93.8Very high45 Ų4556.5 Ų56.521%0.2127%0.265CS..EExtended strand (participates in β ladder)trans-53.4135.2167.7-178.2179.1-165.300111.2I84 K85 F87 K161I84-E101 HydrophobicContact CD1-CB 4.37Å; I84-E101 HydrophobicContact CD1-CG 4.43Å; I84-E101 HydrophobicContact CG2-CB 4.22Å; K85-E101 HydrophobicContact CB-CB 4.26Å; K85-E101 PolarHBondContact N-OE2 3.36Å; K85-E101 PolarHBondContact O-N 3.12Å; F87-E101 VanDerWaalsContact CE2-CA 3.5Å; F87-E101 HydrophobicContact CE2-CB 4.18Å; F87-E101 VanDerWaalsContact CE2-N 3.33Å; F87-E101 HydrophobicContact CZ-CB 4.01Å; E101-K161 WeakPolarHBondContact OE1-CE 3.37Å; E101-K161 IonicContact OE1-NZ 2.63Å; E101-K161 PolarHBondContact OE1-NZ 3.48Å; E101-K161 IonicContact OE2-NZ 3.74Å; E101-K161 PolarHBondContact OE2-NZ 2.93Å
102Y97.8Very high94.4Very high56 Ų5653.4 Ų53.422%0.2225%0.25CS..  trans-97116.3173.5177-114.8000110.7L33 R43 A54 M100L33-Y102 HydrophobicContact CD1-CD2 3.93Å; L33-Y102 HydrophobicContact CD1-CE2 3.73Å; L33-Y102 HydrophobicContact CD2-CE2 4.03Å; R43-Y102 HydrophobicContact CG-CD2 4.41Å; R43-Y102 HydrophobicContact CG-CE2 4.2Å; A54-Y102 HydrophobicContact CB-CD2 4.47Å; M100-Y102 PolarHBondContact O-N 3.42Å
103A97.6Very high95Very high7 Ų756.2 Ų56.26%0.05827%0.269CS..  trans-92.7109.3172.600000109.4I84 E105 L153 I154I84-A103 HydrophobicContact CD1-CB 3.97Å; A103-E105 VanDerWaalsContact C-N 3.31Å; A103-E105 PolarHBondContact O-N 3.41Å; A103-L153 HydrophobicContact CB-CB 3.5Å; A103-L153 VanDerWaalsContact CB-CB 3.5Å; A103-L153 HydrophobicContact CB-CD1 3.99Å; A103-L153 HydrophobicContact CB-CG 4.37Å; A103-I154 CarbonylContact C-O 3.17Å; A103-I154 WeakPolarHBondContact CB-O 3.48Å
104S95.7Very high95.6Very high47 Ų4753.4 Ų53.433%0.32926%0.263SS..THydrogen-bonded Turntrans-74.9-17.6-163.760.50000115.4I154 C156S104-I154 PolarHBondContact N-O 2.83Å; S104-C156 WeakPolarHBondContact OG-CB 3.46Å; S104-C156 PolarHBondContact OG-N 2.91Å
105E96.5Very high96.1Very high93 Ų9350.7 Ų50.744%0.43526%0.257SS..THydrogen-bonded Turntrans-98.710.7-168.4-72.7-55.411800113.5A103 R111 I154 D155A103-E105 VanDerWaalsContact C-N 3.31Å; A103-E105 PolarHBondContact O-N 3.41Å; E105-R111 VanDerWaalsContact CB-NH2 3.31Å; E105-R111 PolarHBondContact O-NE 3.22Å; E105-R111 VanDerWaalsContact O-NE 3.17Å; E105-R111 PolarHBondContact O-NH2 2.82Å; E105-R111 IonicContact OE2-NH2 3.94Å; E105-R111 PolarHBondContact OE2-NH2 2.91Å; E105-I154 HydrophobicContact CB-CB 3.67Å; E105-I154 HydrophobicContact CB-CG2 3.65Å; E105-I154 VanDerWaalsContact CB-O 3.25Å; E105-I154 WeakPolarHBondContact CB-O 3.17Å; E105-I154 HydrophobicContact CG-CG2 4.29Å; E105-I154 PolarHBondContact N-O 2.98Å; E105-D155 WeakPolarHBondContact CG-O 3.47Å
106G96.1Very high96.3Very high31 Ų3151 Ų5132%0.3227%0.267SS..  trans74.5-163.8172.900000114.1L153 I154G106-L153 CarbonylContact O-C 3.54Å; G106-L153 WeakPolarHBondContact O-CA 3.35Å; G106-I154 PolarHBondContact O-N 3.26Å
107E97.9Very high96.4Very high58 Ų5853.3 Ų53.327%0.27128%0.283SS..BIsolated β-bridgetrans-80.8145.9-177.5-61.3178.6-165.500111.8Q109 R111 S150 L153E107-Q109 HydrophobicContact CB-CB 4.5Å; E107-Q109 PolarHBondContact O-N 3.43Å; E107-R111 PolarHBondContact O-N 2.98Å; E107-S150 WeakPolarHBondContact OE2-CA 3.41Å; E107-S150 VanDerWaalsContact OE2-CB 3.27Å; E107-S150 WeakPolarHBondContact OE2-CB 3.39Å; E107-L153 HydrophobicContact CG-CD2 3.76Å
108L98.4Very high96.5Very high1 Ų152.4 Ų52.41%0.00528%0.281CS..Hα-helixtrans-63.1-33.1170.8-177.559.6000111.2R111 I112 L118 L126 I130 I152 I154 M214L108-R111 WeakPolarHBondContact O-CB 3.24Å; L108-R111 PolarHBondContact O-N 3.01Å; L108-I112 HydrophobicContact CD1-CD1 4.44Å; L108-I112 HydrophobicContact CD1-CG1 4.46Å; L108-I112 HydrophobicContact CG-CD1 4.01Å; L108-I112 HydrophobicContact CG-CG1 4.46Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 2.86Å; L108-L118 HydrophobicContact CD1-CD1 3.9Å; L108-L126 HydrophobicContact CD1-CD1 3.78Å; L108-I130 HydrophobicContact CD2-CD1 4.39Å; L108-I152 HydrophobicContact CB-CB 3.91Å; L108-I152 HydrophobicContact CB-CG2 4.16Å; L108-I152 WeakPolarHBondContact CB-O 3.42Å; L108-I152 HydrophobicContact CD2-CB 4.08Å; L108-I152 HydrophobicContact CD2-CG1 4.39Å; L108-I152 HydrophobicContact CD2-CG2 3.99Å; L108-I152 PolarHBondContact N-O 3.01Å; L108-I154 HydrophobicContact CD1-CD1 4.35Å; L108-M214 HydrophobicContact CD2-CE 4.48Å; L108-M214 HydrophobicContact CD2-CG 4.36Å; L108-M214 HydrophobicContact CD2-SD 4.23Å
109Q98.1Very high96.4Very high63 Ų6360 Ų6029%0.29432%0.316SS..Hα-helixtrans-57.4-51.8177.5-178.6161.311.400112.1E107 R111 I112 I113 A149 S150E107-Q109 HydrophobicContact CB-CB 4.5Å; E107-Q109 PolarHBondContact O-N 3.43Å; Q109-R111 PolarHBondContact O-N 3.35Å; Q109-I112 PolarHBondContact O-N 3.37Å; Q109-I112 VanDerWaalsContact O-N 3.17Å; Q109-I113 HydrophobicContact CG-CD1 3.79Å; Q109-I113 HydrophobicContact CG-CG1 4.48Å; Q109-I113 WeakPolarHBondContact O-CG1 3.43Å; Q109-I113 PolarHBondContact O-N 3.21Å; Q109-A149 HydrophobicContact CB-CB 3.75Å; Q109-A149 HydrophobicContact CG-CB 4.42Å; Q109-A149 PolarHBondContact N-O 2.8Å; Q109-S150 PolarHBondContact OE1-OG 2.79Å
110D97.4Very high96.1Very high96 Ų9664.4 Ų64.451%0.51334%0.337SS..Hα-helixtrans-59.4-37.4178.7-69.8-23.4000112.1K114D110-K114 VanDerWaalsContact O-CB 3.3Å; D110-K114 WeakPolarHBondContact O-CB 3.25Å; D110-K114 PolarHBondContact O-N 2.99Å
111R96.5Very high95.9Very high72 Ų7268 Ų6827%0.27236%0.364SS..Hα-helixtrans-62.8-49.2176.4-70.7170.5167.5-112.2-16.9111.1E105 E107 L108 Q109 K114 V115E105-R111 VanDerWaalsContact CB-NH2 3.31Å; E105-R111 PolarHBondContact O-NE 3.22Å; E105-R111 VanDerWaalsContact O-NE 3.17Å; E105-R111 PolarHBondContact O-NH2 2.82Å; E105-R111 IonicContact OE2-NH2 3.94Å; E105-R111 PolarHBondContact OE2-NH2 2.91Å; E107-R111 PolarHBondContact O-N 2.98Å; L108-R111 WeakPolarHBondContact O-CB 3.24Å; L108-R111 PolarHBondContact O-N 3.01Å; Q109-R111 PolarHBondContact O-N 3.35Å; R111-K114 PolarHBondContact O-N 3.48Å; R111-V115 WeakPolarHBondContact O-CG2 3.13Å; R111-V115 PolarHBondContact O-N 3.2Å
112I97.8Very high95.7Very high4 Ų468.6 Ų68.62%0.02137%0.366CS..Hα-helixtrans-61.2-47.7178.4-67171.1000110.2L108 Q109 K114 V115 G116 L118 L213 M214L108-I112 HydrophobicContact CD1-CD1 4.44Å; L108-I112 HydrophobicContact CD1-CG1 4.46Å; L108-I112 HydrophobicContact CG-CD1 4.01Å; L108-I112 HydrophobicContact CG-CG1 4.46Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 2.86Å; Q109-I112 PolarHBondContact O-N 3.37Å; Q109-I112 VanDerWaalsContact O-N 3.17Å; I112-K114 PolarHBondContact O-N 2.98Å; I112-V115 PolarHBondContact O-N 3.25Å; I112-G116 WeakPolarHBondContact CG2-O 3.38Å; I112-G116 CarbonylContact O-C 3.51Å; I112-G116 WeakPolarHBondContact O-CA 3.26Å; I112-G116 PolarHBondContact O-N 3Å; I112-L118 HydrophobicContact CD1-CD1 4.47Å; I112-L118 HydrophobicContact CG1-CD1 4.29Å; I112-L118 HydrophobicContact CG1-CD2 4.22Å; I112-L118 HydrophobicContact CG1-CG 4.05Å; I112-L213 HydrophobicContact CD1-CD2 4.39Å; I112-L213 HydrophobicContact CD1-CG 4.14Å; I112-L213 HydrophobicContact CG2-CD1 4.21Å; I112-L213 HydrophobicContact CG2-CG 4.32Å; I112-M214 HydrophobicContact CD1-CG 3.97Å
113I96.7Very high95.6Very high122 Ų12266 Ų6663%0.62636%0.355SS*.Hα-helixtrans-55.2-40.9177.1-69.3168000111.1Q109Q109-I113 HydrophobicContact CG-CD1 3.79Å; Q109-I113 HydrophobicContact CG-CG1 4.48Å; Q109-I113 WeakPolarHBondContact O-CG1 3.43Å; Q109-I113 PolarHBondContact O-N 3.21Å
114K96Very high95.4Very high183 Ų18367.6 Ų67.680%0.79636%0.36SS*.Hα-helixtrans-70.4-39.1-178.9-176.8178.1178.6-179.60113.7D110 R111 I112D110-K114 VanDerWaalsContact O-CB 3.3Å; D110-K114 WeakPolarHBondContact O-CB 3.25Å; D110-K114 PolarHBondContact O-N 2.99Å; R111-K114 PolarHBondContact O-N 3.48Å; I112-K114 PolarHBondContact O-N 2.98Å
115V95Very high95.4Very high94 Ų9469 Ų6957%0.5736%0.358SS*.Hα-helixtrans-103-8.1-173-540000114.1R111 I112 S117 L118R111-V115 WeakPolarHBondContact O-CG2 3.13Å; R111-V115 PolarHBondContact O-N 3.2Å; I112-V115 PolarHBondContact O-N 3.25Å; V115-S117 VanDerWaalsContact CG2-O 3.31Å; V115-S117 WeakPolarHBondContact CG2-O 3.43Å; V115-S117 PolarHBondContact O-N 2.88Å; V115-L118 HydrophobicContact CG2-CD2 4.22Å
116G94Very high95.4Very high40 Ų4064.6 Ų64.641%0.41234%0.337SS..SBendtrans86.8-76.4-17100000110.4I112 G217I112-G116 WeakPolarHBondContact CG2-O 3.38Å; I112-G116 CarbonylContact O-C 3.51Å; I112-G116 WeakPolarHBondContact O-CA 3.26Å; I112-G116 PolarHBondContact O-N 3Å; G116-G217 WeakPolarHBondContact O-CA 3.4Å
117S92.6Very high95.5Very high49 Ų4963.1 Ų63.134%0.34332%0.322SS..SBendtrans-138.3162.2177.765.70000112.3V115 V215V115-S117 VanDerWaalsContact CG2-O 3.31Å; V115-S117 WeakPolarHBondContact CG2-O 3.43Å; V115-S117 PolarHBondContact O-N 2.88Å; S117-V215 VanDerWaalsContact CB-O 3.31Å; S117-V215 WeakPolarHBondContact CB-O 3.38Å
118L95Very high95.5Very high23 Ų2360.4 Ų60.412%0.1231%0.309CS..  trans-88.1138.2179.3-58.1179.8000110.8L108 I112 V115 T123 L126 M214L108-L118 HydrophobicContact CD1-CD1 3.9Å; I112-L118 HydrophobicContact CD1-CD1 4.47Å; I112-L118 HydrophobicContact CG1-CD1 4.29Å; I112-L118 HydrophobicContact CG1-CD2 4.22Å; I112-L118 HydrophobicContact CG1-CG 4.05Å; V115-L118 HydrophobicContact CG2-CD2 4.22Å; L118-T123 VanDerWaalsContact CB-OG1 3.27Å; L118-T123 WeakPolarHBondContact CB-OG1 3.47Å; L118-T123 PolarHBondContact O-OG1 2.85Å; L118-L126 HydrophobicContact CD1-CD1 4.19Å; L118-M214 WeakPolarHBondContact CB-O 3.47Å; L118-M214 HydrophobicContact CD1-CB 4.11Å; L118-M214 HydrophobicContact CD1-CE 3.82Å; L118-M214 HydrophobicContact CD1-CG 4.02Å; L118-M214 PolarHBondContact N-O 3.48Å
119E93.2Very high95.4Very high159 Ų15960.4 Ų60.474%0.74331%0.309SS*.  trans-56.4146.3169.9-59176.6-17000111.3S121 K122 T123E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 2.96Å; E119-K122 PolarHBondContact O-N 2.86Å; E119-T123 PolarHBondContact O-N 2.88Å; E119-T123 PolarHBondContact O-OG1 3.27Å
120E91.2Very high95.4Very high93 Ų9357.4 Ų57.444%0.43530%0.295SS..Hα-helixtrans-51.3-48.6-174.1-173.1-172.7145.500113.2K122 T123 R124 P245 I248E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 2.79Å; E120-T123 WeakPolarHBondContact O-CB 3.45Å; E120-T123 PolarHBondContact O-N 3.03Å; E120-R124 HydrophobicContact CG-CG 4.49Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.3Å; E120-R124 PolarHBondContact O-N 2.81Å; E120-R124 IonicContact OE1-CZ 3.21Å; E120-R124 IonicContact OE1-NE 3.94Å; E120-R124 PolarHBondContact OE1-NE 3.37Å; E120-R124 IonicContact OE1-NH2 2.91Å; E120-R124 PolarHBondContact OE1-NH2 2.92Å; E120-P245 HydrophobicContact CG-CG 4.05Å; E120-P245 VanDerWaalsContact OE2-CG 3.24Å; E120-P245 WeakPolarHBondContact OE2-CG 3.4Å; E120-I248 HydrophobicContact CG-CD1 4.1Å
121S91.8Very high95.5Very high92 Ų9252.9 Ų52.964%0.64327%0.271SS*.Hα-helixtrans-59.7-41.7179.4178.70000112.1E119 R125E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 2.96Å; S121-R125 PolarHBondContact O-N 3.31Å; S121-R125 VanDerWaalsContact O-N 3.13Å
122K93.6Very high95.5Very high58 Ų5850.7 Ų50.725%0.25226%0.264SS..Hα-helixtrans-70.2-41.4178.5-169.962.2172.8174.20111.2E119 E120 R125 L126 G158E119-K122 PolarHBondContact O-N 2.86Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 2.79Å; K122-R125 PolarHBondContact O-N 2.95Å; K122-L126 HydrophobicContact CD-CD1 4.29Å; K122-L126 HydrophobicContact CD-CG 4.21Å; K122-L126 HydrophobicContact CG-CD1 4.13Å; K122-L126 HydrophobicContact CG-CG 4.38Å; K122-L126 WeakPolarHBondContact O-CB 2.86Å; K122-L126 WeakPolarHBondContact O-CG 3.38Å; K122-L126 PolarHBondContact O-N 3.43Å; K122-G158 PolarHBondContact NZ-O 3.22Å
123T95.5Very high95.5Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-56.3-54.4173.9-680000110.7L118 E119 E120 R125 L126 F127 L211 M214 V215L118-T123 VanDerWaalsContact CB-OG1 3.27Å; L118-T123 WeakPolarHBondContact CB-OG1 3.47Å; L118-T123 PolarHBondContact O-OG1 2.85Å; E119-T123 PolarHBondContact O-N 2.88Å; E119-T123 PolarHBondContact O-OG1 3.27Å; E120-T123 WeakPolarHBondContact O-CB 3.45Å; E120-T123 PolarHBondContact O-N 3.03Å; T123-R125 PolarHBondContact O-N 2.89Å; T123-L126 PolarHBondContact O-N 3.36Å; T123-F127 WeakPolarHBondContact O-CB 3.37Å; T123-F127 PolarHBondContact O-N 3.23Å; T123-L211 HydrophobicContact CG2-CD1 3.78Å; T123-M214 HydrophobicContact CG2-CB 4.18Å; T123-M214 HydrophobicContact CG2-CE 4.13Å; T123-V215 HydrophobicContact CG2-CG1 3.56Å
124R94.9Very high95.6Very high42 Ų4244.8 Ų44.816%0.15823%0.234CC..Hα-helixtrans-55.7-50.1-179-70.1175-175.8-73.6-5.4111.3E120 A128 D247 M274E120-R124 HydrophobicContact CG-CG 4.49Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.3Å; E120-R124 PolarHBondContact O-N 2.81Å; E120-R124 IonicContact OE1-CZ 3.21Å; E120-R124 IonicContact OE1-NE 3.94Å; E120-R124 PolarHBondContact OE1-NE 3.37Å; E120-R124 IonicContact OE1-NH2 2.91Å; E120-R124 PolarHBondContact OE1-NH2 2.92Å; R124-A128 VanDerWaalsContact O-CB 3.29Å; R124-A128 WeakPolarHBondContact O-CB 3.43Å; R124-A128 PolarHBondContact O-N 3.17Å; R124-D247 IonicContact CZ-OD1 2.76Å; R124-D247 IonicContact CZ-OD2 2.88Å; R124-D247 IonicContact NH1-OD1 2.84Å; R124-D247 IonicContact NH1-OD2 3.75Å; R124-D247 PolarHBondContact NH1-OD2 3.07Å; R124-D247 VanDerWaalsContact NH2-CG 3.29Å; R124-D247 IonicContact NH2-OD1 2.71Å; R124-D247 PolarHBondContact NH2-OD1 3.03Å; R124-D247 IonicContact NH2-OD2 3.58Å; R124-D247 PolarHBondContact NH2-OD2 3.48Å; R124-M274 HydrophobicContact CG-CG 4.08Å; R124-M274 VanDerWaalsContact NH1-CG 3.34Å
125R95Very high95.7Very high76 Ų7637.8 Ų37.829%0.28720%0.204SC..Hα-helixtrans-61.4-51.2179.9176.9176.7165.8-164.9-6.6112.6S121 K122 T123 Q129 R157 N159 C281S121-R125 PolarHBondContact O-N 3.31Å; S121-R125 VanDerWaalsContact O-N 3.13Å; K122-R125 PolarHBondContact O-N 2.95Å; T123-R125 PolarHBondContact O-N 2.89Å; R125-Q129 WeakPolarHBondContact O-CG 3.5Å; R125-Q129 PolarHBondContact O-N 2.99Å; R125-R157 PolarHBondContact NH2-O 3.3Å; R125-N159 PolarHBondContact NH2-OD1 3.22Å; R125-C281 HydrophobicContact CG-CB 4.06Å
126L97.3Very high95.9Very high1 Ų135.7 Ų35.71%0.00519%0.186CC..Hα-helixtrans-67.8-43.4-177.6-69.5-175.8000111.2L108 L118 K122 T123 A128 Q129 I130 I154 G158 A160 M214L108-L126 HydrophobicContact CD1-CD1 3.78Å; L118-L126 HydrophobicContact CD1-CD1 4.19Å; K122-L126 HydrophobicContact CD-CD1 4.29Å; K122-L126 HydrophobicContact CD-CG 4.21Å; K122-L126 HydrophobicContact CG-CD1 4.13Å; K122-L126 HydrophobicContact CG-CG 4.38Å; K122-L126 WeakPolarHBondContact O-CB 2.86Å; K122-L126 WeakPolarHBondContact O-CG 3.38Å; K122-L126 PolarHBondContact O-N 3.43Å; T123-L126 PolarHBondContact O-N 3.36Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 3.35Å; L126-Q129 WeakPolarHBondContact O-CB 3.48Å; L126-Q129 PolarHBondContact O-N 3.21Å; L126-I130 WeakPolarHBondContact O-CD1 3.36Å; L126-I130 VanDerWaalsContact O-CG1 3.24Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.06Å; L126-I154 HydrophobicContact CD1-CD1 4.26Å; L126-I154 HydrophobicContact CD2-CD1 4.17Å; L126-G158 WeakPolarHBondContact CD2-O 3.43Å; L126-A160 HydrophobicContact CD2-CB 4.01Å; L126-M214 HydrophobicContact CB-CE 3.84Å
127F97.7Very high96.1Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-64.7-39.3-178.8-171-101.5000111.7T123 Q129 I130 V131 L207 L211 M214 L255 M274 I275T123-F127 WeakPolarHBondContact O-CB 3.37Å; T123-F127 PolarHBondContact O-N 3.23Å; F127-Q129 PolarHBondContact O-N 3.41Å; F127-I130 PolarHBondContact O-N 3.16Å; F127-V131 HydrophobicContact CD1-CG2 3.85Å; F127-V131 HydrophobicContact CE1-CG2 3.52Å; F127-V131 HydrophobicContact CZ-CG2 3.91Å; F127-V131 WeakPolarHBondContact O-CG2 3.49Å; F127-V131 PolarHBondContact O-N 2.88Å; F127-L207 HydrophobicContact CE2-CB 4.27Å; F127-L207 HydrophobicContact CE2-CD2 4.09Å; F127-L207 WeakPolarHBondContact CE2-O 3.32Å; F127-L207 HydrophobicContact CZ-CB 4.16Å; F127-L207 HydrophobicContact CZ-CD2 4.41Å; F127-L211 HydrophobicContact CB-CD1 4.32Å; F127-L211 HydrophobicContact CD1-CD1 4.15Å; F127-L211 HydrophobicContact CD1-CD2 4.41Å; F127-L211 HydrophobicContact CD2-CB 4.01Å; F127-L211 HydrophobicContact CD2-CD1 3.95Å; F127-L211 HydrophobicContact CD2-CG 4.46Å; F127-L211 HydrophobicContact CE1-CD1 4.44Å; F127-L211 HydrophobicContact CE1-CD2 3.96Å; F127-L211 HydrophobicContact CE2-CB 3.6Å; F127-L211 HydrophobicContact CE2-CD1 4.3Å; F127-L211 HydrophobicContact CE2-CD2 4.43Å; F127-L211 HydrophobicContact CE2-CG 4.32Å; F127-L211 HydrophobicContact CG-CD1 3.86Å; F127-L211 HydrophobicContact CZ-CB 3.9Å; F127-L211 HydrophobicContact CZ-CD2 3.97Å; F127-L211 HydrophobicContact CZ-CG 4.35Å; F127-M214 HydrophobicContact CB-CE 4.04Å; F127-M214 HydrophobicContact CB-SD 4.37Å; F127-M214 HydrophobicContact CD2-SD 4.09Å; F127-L255 HydrophobicContact CZ-CD1 3.97Å; F127-M274 HydrophobicContact CD1-CE 3.34Å; F127-M274 HydrophobicContact CE1-CE 3.54Å; F127-M274 HydrophobicContact CG-CE 4.38Å; F127-I275 HydrophobicContact CD1-CD1 3.62Å; F127-I275 HydrophobicContact CE1-CD1 3.96Å
128A96.7Very high96.4Very high0 Ų032.6 Ų32.60%016%0.156CC..Hα-helixtrans-61.5-43.217300000112.8R124 L126 I130 V131 H132 I275 S278R124-A128 VanDerWaalsContact O-CB 3.29Å; R124-A128 WeakPolarHBondContact O-CB 3.43Å; R124-A128 PolarHBondContact O-N 3.17Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-A128 PolarHBondContact O-N 3.35Å; A128-I130 VanDerWaalsContact C-N 3.28Å; A128-I130 PolarHBondContact O-N 3.39Å; A128-V131 PolarHBondContact O-N 3.43Å; A128-H132 PolarHBondContact O-CD2 3.02Å; A128-H132 VanDerWaalsContact O-CD2 3.26Å; A128-H132 PolarHBondContact O-N 3.33Å; A128-I275 HydrophobicContact CB-CD1 4.38Å; A128-I275 HydrophobicContact CB-CG2 4.04Å; A128-S278 WeakPolarHBondContact CB-OG 3.23Å
129Q97.4Very high96.5Very high1 Ų134.9 Ų34.91%0.00517%0.168CC..Hα-helixtrans-59.3-39.7174.2-74.3175.8-11.400112.4N82 R125 L126 F127 H132 A133 N159 A160 L282N82-Q129 HydrophobicContact CB-CB 4.43Å; N82-Q129 WeakPolarHBondContact CB-O 3.46Å; N82-Q129 WeakPolarHBondContact ND2-CB 3.5Å; R125-Q129 WeakPolarHBondContact O-CG 3.5Å; R125-Q129 PolarHBondContact O-N 2.99Å; L126-Q129 WeakPolarHBondContact O-CB 3.48Å; L126-Q129 PolarHBondContact O-N 3.21Å; F127-Q129 PolarHBondContact O-N 3.41Å; Q129-H132 PolarHBondContact O-N 2.89Å; Q129-A133 PolarHBondContact O-N 2.92Å; Q129-A133 VanDerWaalsContact O-N 3.08Å; Q129-N159 PolarHBondContact NE2-OD1 2.99Å; Q129-N159 VanDerWaalsContact OE1-CA 3.25Å; Q129-A160 HydrophobicContact CB-CB 4.12Å; Q129-L282 HydrophobicContact CG-CD2 3.79Å
130I98.6Very high96.6Very high1 Ų131.3 Ų31.31%0.00515%0.151CC..Hα-helixtrans-66.6-45.7175.3-62157.8000110.4L108 L126 F127 A128 H132 A133 V134 I152 A160 L207 L210 M214L108-I130 HydrophobicContact CD2-CD1 4.39Å; L126-I130 WeakPolarHBondContact O-CD1 3.36Å; L126-I130 VanDerWaalsContact O-CG1 3.24Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.06Å; F127-I130 PolarHBondContact O-N 3.16Å; A128-I130 VanDerWaalsContact C-N 3.28Å; A128-I130 PolarHBondContact O-N 3.39Å; I130-H132 VanDerWaalsContact C-N 3.31Å; I130-H132 PolarHBondContact O-N 3.4Å; I130-A133 WeakPolarHBondContact O-CB 3.5Å; I130-A133 PolarHBondContact O-N 2.85Å; I130-A133 VanDerWaalsContact O-N 3.12Å; I130-V134 HydrophobicContact CG2-CG2 4.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.48Å; I130-V134 PolarHBondContact O-N 3.08Å; I130-I152 HydrophobicContact CD1-CD1 4.3Å; I130-I152 HydrophobicContact CD1-CG1 4.16Å; I130-I152 HydrophobicContact CD1-CG2 4.05Å; I130-I152 HydrophobicContact CG1-CD1 4.07Å; I130-I152 HydrophobicContact CG1-CG1 4.42Å; I130-I152 HydrophobicContact CG1-CG2 4.1Å; I130-I152 HydrophobicContact CG2-CD1 4.07Å; I130-A160 HydrophobicContact CD1-CB 4.38Å; I130-A160 HydrophobicContact CG1-CB 3.8Å; I130-L207 HydrophobicContact CG2-CD2 3.68Å; I130-L210 HydrophobicContact CD1-CD2 3.91Å; I130-L210 HydrophobicContact CG2-CD2 4.22Å; I130-M214 HydrophobicContact CD1-SD 4.36Å
131V98.2Very high96.9Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-58.7-41.9176.41660000111.1F127 A128 V134 Q135 L207 I266 I269 M270 I275F127-V131 HydrophobicContact CD1-CG2 3.85Å; F127-V131 HydrophobicContact CE1-CG2 3.52Å; F127-V131 HydrophobicContact CZ-CG2 3.91Å; F127-V131 WeakPolarHBondContact O-CG2 3.49Å; F127-V131 PolarHBondContact O-N 2.88Å; A128-V131 PolarHBondContact O-N 3.43Å; V131-V134 PolarHBondContact O-N 2.83Å; V131-Q135 WeakPolarHBondContact O-CB 3.32Å; V131-Q135 PolarHBondContact O-N 3.06Å; V131-L207 HydrophobicContact CG2-CD1 4.5Å; V131-I266 HydrophobicContact CG1-CD1 3.86Å; V131-I266 HydrophobicContact CG1-CG1 4.45Å; V131-I269 HydrophobicContact CG1-CG2 4.31Å; V131-I269 HydrophobicContact CG2-CG2 4.26Å; V131-M270 HydrophobicContact CG1-CG 3.67Å; V131-I275 HydrophobicContact CG1-CG2 4.33Å; V131-I275 HydrophobicContact CG2-CD1 4.22Å
132H97Very high97.2Very high27 Ų2727.7 Ų27.713%0.12512%0.124CC..Hα-helixtrans-62.7-41.2174.2-89.4-86.3000112.7A128 Q129 I130 Q135 Y136 M270 L282A128-H132 PolarHBondContact O-CD2 3.02Å; A128-H132 VanDerWaalsContact O-CD2 3.26Å; A128-H132 PolarHBondContact O-N 3.33Å; Q129-H132 PolarHBondContact O-N 2.89Å; I130-H132 VanDerWaalsContact C-N 3.31Å; I130-H132 PolarHBondContact O-N 3.4Å; H132-Q135 PolarHBondContact O-N 3.28Å; H132-Y136 WeakPolarHBondContact O-CB 3.39Å; H132-Y136 PolarHBondContact O-N 3.46Å; H132-M270 WeakPolarHBondContact CE1-CE 3.49Å; H132-M270 WeakPolarHBondContact NE2-CE 3.35Å; H132-L282 VanDerWaalsContact NE2-CD1 3.3Å; H132-L282 WeakPolarHBondContact NE2-CD1 3.33Å
133A98.6Very high97.4Very high0 Ų025 Ų250%011%0.112CC..Hα-helixtrans-61.9-45.2174.700000111.8N82 I83 Q129 I130 Y136 C137 L162N82-A133 HydrophobicContact CB-CB 4Å; N82-A133 VanDerWaalsContact O-CB 3.31Å; N82-A133 WeakPolarHBondContact O-CB 3.37Å; I83-A133 HydrophobicContact CD1-CB 4.38Å; I83-A133 HydrophobicContact CG1-CB 3.76Å; Q129-A133 PolarHBondContact O-N 2.92Å; Q129-A133 VanDerWaalsContact O-N 3.08Å; I130-A133 WeakPolarHBondContact O-CB 3.5Å; I130-A133 PolarHBondContact O-N 2.85Å; I130-A133 VanDerWaalsContact O-N 3.12Å; A133-Y136 PolarHBondContact O-N 2.77Å; A133-C137 PolarHBondContact O-N 3.24Å; A133-C137 PolarHBondContact O-SG 2.88Å; A133-L162 HydrophobicContact CB-CB 4.09Å; A133-L162 HydrophobicContact CB-CD2 4.31Å
134V98.7Very high97.6Very high1 Ų125 Ų251%0.00611%0.112CC..Hα-helixtrans-68.7-38.2179.3177.90000111.4I130 V131 C137 H138 I147 L162 D203 L207 I266I130-V134 HydrophobicContact CG2-CG2 4.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.48Å; I130-V134 PolarHBondContact O-N 3.08Å; V131-V134 PolarHBondContact O-N 2.83Å; V134-C137 WeakPolarHBondContact O-CB 3.46Å; V134-C137 PolarHBondContact O-N 3.37Å; V134-H138 WeakPolarHBondContact CG1-NE2 3.48Å; V134-H138 PolarHBondContact O-CD2 2.75Å; V134-H138 PolarHBondContact O-N 2.8Å; V134-I147 HydrophobicContact CG1-CD1 4.23Å; V134-I147 HydrophobicContact CG2-CD1 3.58Å; V134-L162 HydrophobicContact CG2-CD2 4.21Å; V134-D203 HydrophobicContact CG1-CB 4.36Å; V134-L207 HydrophobicContact CB-CD1 4.37Å; V134-L207 HydrophobicContact CG1-CD1 4.15Å; V134-L207 HydrophobicContact CG2-CD1 4.38Å; V134-L207 HydrophobicContact CG2-CD2 4.21Å; V134-I266 HydrophobicContact CB-CD1 4.18Å; V134-I266 HydrophobicContact CG1-CD1 4Å; V134-I266 HydrophobicContact CG1-CG1 4.36Å
135Q97.9Very high97.7Very high36 Ų3624.1 Ų24.117%0.16811%0.109CC..Hα-helixtrans-57.4-51.1172.9-172.4-1513.400110.2V131 H132 C137 H138 D139 I266 M270V131-Q135 WeakPolarHBondContact O-CB 3.32Å; V131-Q135 PolarHBondContact O-N 3.06Å; H132-Q135 PolarHBondContact O-N 3.28Å; Q135-C137 VanDerWaalsContact C-N 3.27Å; Q135-C137 PolarHBondContact O-N 3.22Å; Q135-H138 PolarHBondContact O-N 3.38Å; Q135-H138 VanDerWaalsContact O-N 3.08Å; Q135-D139 PolarHBondContact NE2-OD2 3.48Å; Q135-D139 WeakPolarHBondContact O-CB 3.44Å; Q135-D139 VanDerWaalsContact O-CG 3.25Å; Q135-D139 PolarHBondContact O-N 3.44Å; Q135-I266 HydrophobicContact CB-CG1 3.77Å; Q135-I266 HydrophobicContact CB-CG2 4.29Å; Q135-I266 HydrophobicContact CG-CG1 4.37Å; Q135-I266 HydrophobicContact CG-CG2 4.09Å; Q135-M270 HydrophobicContact CB-SD 3.98Å; Q135-M270 HydrophobicContact CG-SD 3.61Å; Q135-M270 PolarHBondContact NE2-SD 3.41Å; Q135-M270 PolarHBondContact OE1-SD 3.03Å
136Y98.5Very high97.8Very high50 Ų5021 Ų2120%0.19610%0.097CC..Hα-helixtrans-55.7-43.9178-174.3-81.9000111.4L78 S79 H80 I83 H132 A133 H140L78-Y136 HydrophobicContact CD2-CD1 3.86Å; L78-Y136 HydrophobicContact CD2-CE1 3.69Å; S79-Y136 PolarHBondContact N-OH 3.31Å; S79-Y136 PolarHBondContact O-OH 3.07Å; H80-Y136 HydrophobicContact CB-CD1 4.09Å; H80-Y136 HydrophobicContact CB-CD2 4.14Å; H80-Y136 HydrophobicContact CB-CE1 4.43Å; H80-Y136 HydrophobicContact CB-CE2 4.43Å; H80-Y136 HydrophobicContact CB-CG 3.95Å; H80-Y136 AromaticContact CD2-CD2 3.65Å; H80-Y136 AromaticContact CD2-CG 3.84Å; I83-Y136 HydrophobicContact CD1-CD1 4.04Å; H132-Y136 WeakPolarHBondContact O-CB 3.39Å; H132-Y136 PolarHBondContact O-N 3.46Å; A133-Y136 PolarHBondContact O-N 2.77Å; Y136-H140 AromaticContact CD1-ND1 3.75Å; Y136-H140 AromaticContact CD2-CE1 3.92Å; Y136-H140 AromaticContact CE1-CE1 3.49Å; Y136-H140 VanDerWaalsContact CE1-CE1 3.49Å; Y136-H140 WeakPolarHBondContact CE1-CE1 3.41Å; Y136-H140 AromaticContact CE1-ND1 3.56Å; Y136-H140 AromaticContact CE1-NE2 3.96Å; Y136-H140 AromaticContact CE2-CE1 3.45Å; Y136-H140 VanDerWaalsContact CE2-CE1 3.45Å; Y136-H140 WeakPolarHBondContact CE2-CE1 3.38Å; Y136-H140 AromaticContact CZ-CE1 3.19Å; Y136-H140 AromaticContact CZ-ND1 3.77Å; Y136-H140 AromaticContact CZ-NE2 3.59Å; Y136-H140 PolarHBondContact O-N 3.36Å; Y136-H140 VanDerWaalsContact O-N 3.16Å; Y136-H140 PolarHBondContact O-ND1 3.49Å; Y136-H140 PolarHBondContact OH-CE1 3.39Å; Y136-H140 PolarHBondContact OH-NE2 2.92Å
137C98.6Very high97.9Very high1 Ų120.9 Ų20.91%0.00710%0.097CC..Hα-helixtrans-59.7-50.6174.4-66.90000111.9A133 V134 Q135 D139 H140 H141 I142A133-C137 PolarHBondContact O-N 3.24Å; A133-C137 PolarHBondContact O-SG 2.88Å; V134-C137 WeakPolarHBondContact O-CB 3.46Å; V134-C137 PolarHBondContact O-N 3.37Å; Q135-C137 VanDerWaalsContact C-N 3.27Å; Q135-C137 PolarHBondContact O-N 3.22Å; C137-D139 VanDerWaalsContact C-N 3.31Å; C137-D139 PolarHBondContact O-N 3.08Å; C137-H140 CarbonylContact O-C 3.37Å; C137-H140 WeakPolarHBondContact O-CA 3.48Å; C137-H140 PolarHBondContact O-N 3.18Å; C137-H141 PolarHBondContact O-N 3.02Å; C137-I142 CarbonylContact C-O 3.52Å; C137-I142 HydrophobicContact CB-CB 4.29Å; C137-I142 HydrophobicContact CB-CG2 4.34Å; C137-I142 WeakPolarHBondContact CB-O 3.48Å; C137-I142 WeakPolarHBondContact O-CA 3.45Å; C137-I142 WeakPolarHBondContact O-CB 3.49Å; C137-I142 PolarHBondContact O-N 2.98Å; C137-I142 VanDerWaalsContact O-O 3.13Å
138H97.9Very high97.9Very high24 Ų2422.2 Ų22.211%0.11110%0.103CC..Hα-helixtrans-63.2-37.3-177.6-72.4-168.7000112.1V134 Q135 H140 H141 I142 D203 I266V134-H138 WeakPolarHBondContact CG1-NE2 3.48Å; V134-H138 PolarHBondContact O-CD2 2.75Å; V134-H138 PolarHBondContact O-N 2.8Å; Q135-H138 PolarHBondContact O-N 3.38Å; Q135-H138 VanDerWaalsContact O-N 3.08Å; H138-H140 PolarHBondContact O-N 2.97Å; H138-H141 WeakPolarHBondContact O-CA 3.28Å; H138-H141 PolarHBondContact O-N 3.46Å; H138-I142 PolarHBondContact CD2-O 2.87Å; H138-I142 PolarHBondContact N-O 3.26Å; H138-D203 IonicContact CD2-OD2 2.93Å; H138-D203 IonicContact CE1-OD2 3.36Å; H138-D203 IonicContact NE2-OD2 3.94Å; H138-D203 PolarHBondContact NE2-OD2 3Å; H138-I266 HydrophobicContact CB-CG2 4.05Å
139D97.1Very high98Very high71 Ų7122.2 Ų22.238%0.3810%0.103SC..Hα-helixtrans-65.9-28.6175.2-69.5-9.9000112.2Q135 C137 H141 H267Q135-D139 PolarHBondContact NE2-OD2 3.48Å; Q135-D139 WeakPolarHBondContact O-CB 3.44Å; Q135-D139 VanDerWaalsContact O-CG 3.25Å; Q135-D139 PolarHBondContact O-N 3.44Å; C137-D139 VanDerWaalsContact C-N 3.31Å; C137-D139 PolarHBondContact O-N 3.08Å; D139-H141 VanDerWaalsContact C-N 3.27Å; D139-H267 IonicContact OD1-CE1 2.71Å; D139-H267 PolarHBondContact OD1-CE1 3.11Å; D139-H267 IonicContact OD1-NE2 3.86Å; D139-H267 PolarHBondContact OD1-NE2 3.32Å; D139-H267 IonicContact OD2-NE2 2.89Å
140H97.3Very high98Very high84 Ų8423.3 Ų23.339%0.38911%0.11SC..THydrogen-bonded Turntrans-92.317.2172.2-67.773.2000112.5Y136 C137 H138 I142Y136-H140 AromaticContact CD1-ND1 3.75Å; Y136-H140 AromaticContact CD2-CE1 3.92Å; Y136-H140 AromaticContact CE1-CE1 3.49Å; Y136-H140 VanDerWaalsContact CE1-CE1 3.49Å; Y136-H140 WeakPolarHBondContact CE1-CE1 3.41Å; Y136-H140 AromaticContact CE1-ND1 3.56Å; Y136-H140 AromaticContact CE1-NE2 3.96Å; Y136-H140 AromaticContact CE2-CE1 3.45Å; Y136-H140 VanDerWaalsContact CE2-CE1 3.45Å; Y136-H140 WeakPolarHBondContact CE2-CE1 3.38Å; Y136-H140 AromaticContact CZ-CE1 3.19Å; Y136-H140 AromaticContact CZ-ND1 3.77Å; Y136-H140 AromaticContact CZ-NE2 3.59Å; Y136-H140 PolarHBondContact O-N 3.36Å; Y136-H140 VanDerWaalsContact O-N 3.16Å; Y136-H140 PolarHBondContact O-ND1 3.49Å; Y136-H140 PolarHBondContact OH-CE1 3.39Å; Y136-H140 PolarHBondContact OH-NE2 2.92Å; C137-H140 CarbonylContact O-C 3.37Å; C137-H140 WeakPolarHBondContact O-CA 3.48Å; C137-H140 PolarHBondContact O-N 3.18Å; H138-H140 PolarHBondContact O-N 2.97Å; H140-I142 HydrophobicContact CB-CD1 4.04Å; H140-I142 PolarHBondContact O-N 3.26Å
141H97.1Very high98Very high107 Ų10723.7 Ų23.750%0.49511%0.113SC..THydrogen-bonded Turntrans57.134.9179.5-54.9-53000113.6C137 H138 D139 E170 V171C137-H141 PolarHBondContact O-N 3.02Å; H138-H141 WeakPolarHBondContact O-CA 3.28Å; H138-H141 PolarHBondContact O-N 3.46Å; D139-H141 VanDerWaalsContact C-N 3.27Å; H141-E170 CarbonylContact O-C 3.54Å; H141-E170 WeakPolarHBondContact O-CA 3.47Å; H141-V171 WeakPolarHBondContact CB-O 3.31Å; H141-V171 PolarHBondContact O-N 3.12Å
142I98.3Very high98Very high2 Ų223.7 Ų23.71%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-115.7134178.2-68.3154000108.8I74 L78 C137 H138 H140 A168 A169I74-I142 HydrophobicContact CG2-CD1 4.03Å; I74-I142 HydrophobicContact CG2-CG1 4.35Å; I74-I142 HydrophobicContact CG2-CG2 3.86Å; L78-I142 HydrophobicContact CD2-CD1 3.73Å; L78-I142 HydrophobicContact CG-CD1 4.26Å; C137-I142 CarbonylContact C-O 3.52Å; C137-I142 HydrophobicContact CB-CB 4.29Å; C137-I142 HydrophobicContact CB-CG2 4.34Å; C137-I142 WeakPolarHBondContact CB-O 3.48Å; C137-I142 WeakPolarHBondContact O-CA 3.45Å; C137-I142 WeakPolarHBondContact O-CB 3.49Å; C137-I142 PolarHBondContact O-N 2.98Å; C137-I142 VanDerWaalsContact O-O 3.13Å; H138-I142 PolarHBondContact CD2-O 2.87Å; H138-I142 PolarHBondContact N-O 3.26Å; H140-I142 HydrophobicContact CB-CD1 4.04Å; H140-I142 PolarHBondContact O-N 3.26Å; I142-A168 HydrophobicContact CG2-CB 4.38Å; I142-A169 WeakPolarHBondContact CA-O 3.4Å
143V98Very high98.1Very high0 Ų024.1 Ų24.10%012%0.116CC..EExtended strand (participates in β ladder)trans-112.9141168.5-690000110R145 A168 A169 V171 L177 P200 D203V143-R145 HydrophobicContact CB-CG 4.19Å; V143-R145 HydrophobicContact CG2-CG 3.74Å; V143-A168 WeakPolarHBondContact O-CA 3.38Å; V143-A168 WeakPolarHBondContact O-CB 3.47Å; V143-A169 HydrophobicContact CG2-CB 4.28Å; V143-A169 WeakPolarHBondContact CG2-O 3.16Å; V143-A169 PolarHBondContact N-O 3.42Å; V143-A169 PolarHBondContact O-N 3.08Å; V143-V171 HydrophobicContact CB-CG2 4.2Å; V143-V171 HydrophobicContact CG1-CG2 3.49Å; V143-V171 VanDerWaalsContact CG1-CG2 3.49Å; V143-V171 HydrophobicContact CG2-CG2 3.74Å; V143-L177 HydrophobicContact CG2-CD1 3.63Å; V143-P200 HydrophobicContact CG1-CB 4.45Å; V143-P200 HydrophobicContact CG1-CG 3.98Å; V143-D203 VanDerWaalsContact CA-OD2 3.31Å; V143-D203 WeakPolarHBondContact CA-OD2 3.19Å; V143-D203 WeakPolarHBondContact CB-OD2 3.31Å
144H98.4Very high98.1Very high1 Ų124.1 Ų24.11%0.00512%0.116CC..  trans-81.1-43.2-174.6-167.5-78.6000111.8D146 I147 C163 D164 F165 L167 A168 D203H144-D146 VanDerWaalsContact ND1-C 3.34Å; H144-D146 PolarHBondContact ND1-N 3.47Å; H144-D146 PolarHBondContact ND1-O 3.11Å; H144-D146 PolarHBondContact O-N 3.3Å; H144-D146 VanDerWaalsContact O-N 3.12Å; H144-I147 HydrophobicContact CB-CD1 4.2Å; H144-I147 HydrophobicContact CB-CG1 3.76Å; H144-C163 PolarHBondContact CE1-O 3.1Å; H144-C163 PolarHBondContact NE2-O 3.26Å; H144-D164 PolarHBondContact CE1-O 3.3Å; H144-D164 PolarHBondContact NE2-O 2.83Å; H144-F165 AromaticContact CD2-CD1 3.87Å; H144-F165 AromaticContact CD2-CE1 3.65Å; H144-F165 AromaticContact CD2-CZ 3.84Å; H144-L167 CarbonylContact O-C 3.33Å; H144-A168 PolarHBondContact O-N 3.46Å; H144-D203 PolarHBondContact N-OD1 2.76Å; H144-D203 PolarHBondContact N-OD2 2.81Å
145R97.5Very high98Very high24 Ų2425 Ų259%0.09112%0.121CC..SBendtrans636.2178.4-52.8-168.5-64.5170.7-0.3116.8V143 L167 Y197 D203V143-R145 HydrophobicContact CB-CG 4.19Å; V143-R145 HydrophobicContact CG2-CG 3.74Å; R145-L167 PolarHBondContact NE-O 3Å; R145-L167 PolarHBondContact NH2-O 3.27Å; R145-Y197 PolarHBondContact NH1-OH 2.93Å; R145-Y197 VanDerWaalsContact NH1-OH 3.1Å; R145-D203 PolarHBondContact N-OD1 2.86Å
146D97.3Very high97.9Very high9 Ų928.1 Ų28.15%0.04815%0.145CC..  trans-148.443.6173.8-16139.4000111.4H144 K148 N151 L167 G182 T183H144-D146 VanDerWaalsContact ND1-C 3.34Å; H144-D146 PolarHBondContact ND1-N 3.47Å; H144-D146 PolarHBondContact ND1-O 3.11Å; H144-D146 PolarHBondContact O-N 3.3Å; H144-D146 VanDerWaalsContact O-N 3.12Å; D146-K148 PolarHBondContact O-N 2.86Å; D146-K148 IonicContact OD1-NZ 3.32Å; D146-K148 IonicContact OD2-NZ 3.57Å; D146-K148 PolarHBondContact OD2-NZ 3.17Å; D146-N151 PolarHBondContact O-ND2 3Å; D146-N151 PolarHBondContact OD2-ND2 3.17Å; D146-N151 VanDerWaalsContact OD2-ND2 3.1Å; D146-L167 HydrophobicContact CB-CB 4.34Å; D146-L167 HydrophobicContact CB-CD1 3.9Å; D146-G182 WeakPolarHBondContact OD1-CA 3.49Å; D146-T183 WeakPolarHBondContact OD1-CB 3.49Å; D146-T183 PolarHBondContact OD1-N 2.71Å; D146-T183 PolarHBondContact OD1-OG1 2.99Å
147I98.8Very high97.7Very high0 Ų035.2 Ų35.20%017%0.171CC..  trans-69.9119.7174.3-61.7169.9000107.9V134 H144 Y186 D203 S206 L207 L210V134-I147 HydrophobicContact CG1-CD1 4.23Å; V134-I147 HydrophobicContact CG2-CD1 3.58Å; H144-I147 HydrophobicContact CB-CD1 4.2Å; H144-I147 HydrophobicContact CB-CG1 3.76Å; I147-Y186 WeakPolarHBondContact O-CD1 3.44Å; I147-D203 HydrophobicContact CD1-CB 3.64Å; I147-S206 WeakPolarHBondContact O-CB 3.2Å; I147-L207 HydrophobicContact CD1-CG 4.37Å; I147-L207 HydrophobicContact CG2-CD2 4.21Å; I147-L210 HydrophobicContact CG2-CD2 4.04Å
148K98.3Very high97.6Very high28 Ų2835.8 Ų35.812%0.12218%0.177CC..  trans-160164.1179.866.2-166.7-171.1-153.50110.2D146 S150 N151 T183 Y186D146-K148 PolarHBondContact O-N 2.86Å; D146-K148 IonicContact OD1-NZ 3.32Å; D146-K148 IonicContact OD2-NZ 3.57Å; D146-K148 PolarHBondContact OD2-NZ 3.17Å; K148-S150 VanDerWaalsContact C-N 3.27Å; K148-S150 VanDerWaalsContact CE-OG 3.29Å; K148-S150 WeakPolarHBondContact CE-OG 3.39Å; K148-S150 PolarHBondContact O-N 2.84Å; K148-N151 WeakPolarHBondContact CE-ND2 3.48Å; K148-N151 HydrophobicContact CG-CB 4.02Å; K148-N151 PolarHBondContact O-N 3.46Å; K148-T183 HydrophobicContact CD-CG2 4.13Å; K148-T183 WeakPolarHBondContact CD-OG1 3.48Å; K148-T183 PolarHBondContact NZ-OG1 3.37Å; K148-Y186 HydrophobicContact CB-CD1 3.82Å; K148-Y186 HydrophobicContact CB-CD2 3.77Å; K148-Y186 HydrophobicContact CB-CE1 3.72Å; K148-Y186 HydrophobicContact CB-CE2 3.67Å; K148-Y186 HydrophobicContact CB-CG 3.84Å
149A98.5Very high97.6Very high0 Ų035 Ų350%017%0.174CC..G310 helixtrans-61.1-30.4-174.500000114.3Q109 N151 I152 Y186 L210 L213Q109-A149 HydrophobicContact CB-CB 3.75Å; Q109-A149 HydrophobicContact CG-CB 4.42Å; Q109-A149 PolarHBondContact N-O 2.8Å; A149-N151 VanDerWaalsContact C-N 3.29Å; A149-N151 PolarHBondContact O-N 3.08Å; A149-I152 PolarHBondContact O-N 3.29Å; A149-Y186 PolarHBondContact N-OH 3.25Å; A149-L210 HydrophobicContact CB-CD1 3.81Å; A149-L213 HydrophobicContact CB-CD2 3.81Å
150S97Very high97.7Very high23 Ų2331.7 Ų31.716%0.16116%0.156CC..G310 helixtrans-68.8-28.2174.212.50000112.7E107 Q109 K148 I152E107-S150 WeakPolarHBondContact OE2-CA 3.41Å; E107-S150 VanDerWaalsContact OE2-CB 3.27Å; E107-S150 WeakPolarHBondContact OE2-CB 3.39Å; Q109-S150 PolarHBondContact OE1-OG 2.79Å; K148-S150 VanDerWaalsContact C-N 3.27Å; K148-S150 VanDerWaalsContact CE-OG 3.29Å; K148-S150 WeakPolarHBondContact CE-OG 3.39Å; K148-S150 PolarHBondContact O-N 2.84Å; S150-I152 PolarHBondContact O-N 2.94Å
151N98.4Very high97.7Very high10 Ų1028.4 Ų28.45%0.05314%0.141CC..G310 helixtrans-88.79.9178.7-71.1-6000112.7D146 K148 A149 C163D146-N151 PolarHBondContact O-ND2 3Å; D146-N151 PolarHBondContact OD2-ND2 3.17Å; D146-N151 VanDerWaalsContact OD2-ND2 3.1Å; K148-N151 WeakPolarHBondContact CE-ND2 3.48Å; K148-N151 HydrophobicContact CG-CB 4.02Å; K148-N151 PolarHBondContact O-N 3.46Å; A149-N151 VanDerWaalsContact C-N 3.29Å; A149-N151 PolarHBondContact O-N 3.08Å; N151-C163 PolarHBondContact O-N 3.11Å; N151-C163 PolarHBondContact O-SG 3.44Å; N151-C163 VanDerWaalsContact O-SG 3.35Å
152I98.8Very high97.8Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-111.7107.7170.7-49.3-56.2000108.2L108 I130 A149 S150 A160 L162 L210L108-I152 HydrophobicContact CB-CB 3.91Å; L108-I152 HydrophobicContact CB-CG2 4.16Å; L108-I152 WeakPolarHBondContact CB-O 3.42Å; L108-I152 HydrophobicContact CD2-CB 4.08Å; L108-I152 HydrophobicContact CD2-CG1 4.39Å; L108-I152 HydrophobicContact CD2-CG2 3.99Å; L108-I152 PolarHBondContact N-O 3.01Å; I130-I152 HydrophobicContact CD1-CD1 4.3Å; I130-I152 HydrophobicContact CD1-CG1 4.16Å; I130-I152 HydrophobicContact CD1-CG2 4.05Å; I130-I152 HydrophobicContact CG1-CD1 4.07Å; I130-I152 HydrophobicContact CG1-CG1 4.42Å; I130-I152 HydrophobicContact CG1-CG2 4.1Å; I130-I152 HydrophobicContact CG2-CD1 4.07Å; A149-I152 PolarHBondContact O-N 3.29Å; S150-I152 PolarHBondContact O-N 2.94Å; I152-A160 HydrophobicContact CG2-CB 3.72Å; I152-L162 HydrophobicContact CD1-CD1 3.62Å; I152-L210 HydrophobicContact CD1-CD2 4.37Å; I152-L210 HydrophobicContact CG1-CD2 4.06Å
153L98.5Very high97.8Very high36 Ų3624 Ų2419%0.18812%0.122CC..EExtended strand (participates in β ladder)trans-90.7154.9174.2-57.3179.6000110.9I84 A103 G106 E107 A160 K161 C163I84-L153 HydrophobicContact CD1-CD1 4.02Å; I84-L153 HydrophobicContact CG1-CD1 4.13Å; A103-L153 HydrophobicContact CB-CB 3.5Å; A103-L153 VanDerWaalsContact CB-CB 3.5Å; A103-L153 HydrophobicContact CB-CD1 3.99Å; A103-L153 HydrophobicContact CB-CG 4.37Å; G106-L153 CarbonylContact O-C 3.54Å; G106-L153 WeakPolarHBondContact O-CA 3.35Å; E107-L153 HydrophobicContact CG-CD2 3.76Å; L153-A160 CarbonylContact O-C 3.56Å; L153-A160 WeakPolarHBondContact O-CA 3.36Å; L153-K161 PolarHBondContact N-O 2.74Å; L153-K161 PolarHBondContact O-N 2.89Å; L153-C163 HydrophobicContact CD1-CB 4.14Å; L153-C163 HydrophobicContact CG-CB 4.32Å
154I98.3Very high97.7Very high0 Ų026.5 Ų26.50%014%0.135CC..EExtended strand (participates in β ladder)trans-108.3131.1175.7-53.3-58.5000109.6A103 S104 E105 G106 L108 L126 N159A103-I154 CarbonylContact C-O 3.17Å; A103-I154 WeakPolarHBondContact CB-O 3.48Å; S104-I154 PolarHBondContact N-O 2.83Å; E105-I154 HydrophobicContact CB-CB 3.67Å; E105-I154 HydrophobicContact CB-CG2 3.65Å; E105-I154 VanDerWaalsContact CB-O 3.25Å; E105-I154 WeakPolarHBondContact CB-O 3.17Å; E105-I154 HydrophobicContact CG-CG2 4.29Å; E105-I154 PolarHBondContact N-O 2.98Å; G106-I154 PolarHBondContact O-N 3.26Å; L108-I154 HydrophobicContact CD1-CD1 4.35Å; L126-I154 HydrophobicContact CD1-CD1 4.26Å; L126-I154 HydrophobicContact CD2-CD1 4.17Å; I154-N159 WeakPolarHBondContact CA-O 3.33Å
155D97.1Very high97.6Very high20 Ų2026.5 Ų26.511%0.10714%0.135CC..  trans-82.8173.4174.376.38.5000112.3E105 R157 G158 N159 K161E105-D155 WeakPolarHBondContact CG-O 3.47Å; D155-R157 PolarHBondContact O-N 2.86Å; D155-R157 VanDerWaalsContact OD1-C 3.28Å; D155-R157 VanDerWaalsContact OD1-CA 3.3Å; D155-R157 WeakPolarHBondContact OD1-CA 3.5Å; D155-R157 WeakPolarHBondContact OD1-CB 3.34Å; D155-R157 PolarHBondContact OD1-N 3.04Å; D155-G158 PolarHBondContact O-N 2.88Å; D155-G158 PolarHBondContact OD1-N 3.39Å; D155-N159 PolarHBondContact N-O 3.06Å; D155-N159 PolarHBondContact OD1-N 3.17Å; D155-N159 PolarHBondContact OD1-ND2 3.22Å; D155-N159 WeakPolarHBondContact OD2-CB 3.4Å; D155-N159 PolarHBondContact OD2-ND2 3.46Å; D155-N159 VanDerWaalsContact OD2-ND2 3.08Å; D155-K161 HydrophobicContact CB-CD 4.14Å
156C95.6Very high97.4Very high100 Ų10026.1 Ų26.168%0.67614%0.139SC*.THydrogen-bonded Turntrans-62-13.1178.962.30000114.8S104S104-C156 WeakPolarHBondContact OG-CB 3.46Å; S104-C156 PolarHBondContact OG-N 2.91Å
157R95.6Very high97.3Very high200 Ų20028.6 Ų28.676%0.75515%0.152SC*.THydrogen-bonded Turntrans-99.44176-67.3175.5170.4-110.8-0.5112.1R125 D155 N159R125-R157 PolarHBondContact NH2-O 3.3Å; D155-R157 PolarHBondContact O-N 2.86Å; D155-R157 VanDerWaalsContact OD1-C 3.28Å; D155-R157 VanDerWaalsContact OD1-CA 3.3Å; D155-R157 WeakPolarHBondContact OD1-CA 3.5Å; D155-R157 WeakPolarHBondContact OD1-CB 3.34Å; D155-R157 PolarHBondContact OD1-N 3.04Å; R157-N159 WeakPolarHBondContact CB-ND2 3.42Å
158G95.7Very high97.2Very high12 Ų1228.6 Ų28.612%0.12415%0.152CC..SBendtrans74.323.718000000113.9K122 L126 D155K122-G158 PolarHBondContact NZ-O 3.22Å; L126-G158 WeakPolarHBondContact CD2-O 3.43Å; D155-G158 PolarHBondContact O-N 2.88Å; D155-G158 PolarHBondContact OD1-N 3.39Å
159N97.8Very high97Very high9 Ų927.7 Ų27.75%0.04815%0.149CC..  trans-92.2149175.1-54.6-55000111.8R125 Q129 I154 D155 R157R125-N159 PolarHBondContact NH2-OD1 3.22Å; Q129-N159 PolarHBondContact NE2-OD1 2.99Å; Q129-N159 VanDerWaalsContact OE1-CA 3.25Å; I154-N159 WeakPolarHBondContact CA-O 3.33Å; D155-N159 PolarHBondContact N-O 3.06Å; D155-N159 PolarHBondContact OD1-N 3.17Å; D155-N159 PolarHBondContact OD1-ND2 3.22Å; D155-N159 WeakPolarHBondContact OD2-CB 3.4Å; D155-N159 PolarHBondContact OD2-ND2 3.46Å; D155-N159 VanDerWaalsContact OD2-ND2 3.08Å; R157-N159 WeakPolarHBondContact CB-ND2 3.42Å
160A98.5Very high96.9Very high1 Ų131.9 Ų31.91%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-75.2139.5173.300000111.7N82 L126 Q129 I130 I152 L153N82-A160 WeakPolarHBondContact CA-O 3.44Å; N82-A160 WeakPolarHBondContact CB-O 3.4Å; N82-A160 PolarHBondContact ND2-O 3.21Å; L126-A160 HydrophobicContact CD2-CB 4.01Å; Q129-A160 HydrophobicContact CB-CB 4.12Å; I130-A160 HydrophobicContact CD1-CB 4.38Å; I130-A160 HydrophobicContact CG1-CB 3.8Å; I152-A160 HydrophobicContact CG2-CB 3.72Å; L153-A160 CarbonylContact O-C 3.56Å; L153-A160 WeakPolarHBondContact O-CA 3.36Å
161K98.8Very high96.8Very high14 Ų1432 Ų326%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-133.3116.9171.3-71.9179.5172.2-85.50109.9P81 N82 I84 E101 L153 D155P81-K161 PolarHBondContact O-NZ 3.42Å; N82-K161 CarbonylContact O-C 3.41Å; N82-K161 WeakPolarHBondContact O-CA 3.38Å; I84-K161 HydrophobicContact CD1-CB 3.82Å; I84-K161 HydrophobicContact CD1-CD 3.85Å; I84-K161 HydrophobicContact CD1-CG 4.47Å; I84-K161 HydrophobicContact CG1-CB 4.07Å; E101-K161 WeakPolarHBondContact OE1-CE 3.37Å; E101-K161 IonicContact OE1-NZ 2.63Å; E101-K161 PolarHBondContact OE1-NZ 3.48Å; E101-K161 IonicContact OE2-NZ 3.74Å; E101-K161 PolarHBondContact OE2-NZ 2.93Å; L153-K161 PolarHBondContact N-O 2.74Å; L153-K161 PolarHBondContact O-N 2.89Å; D155-K161 HydrophobicContact CB-CD 4.14Å
162L98.9Very high96.5Very high1 Ų136 Ų361%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-68.4133.4173.4-177.663.3000109.8N82 I84 A133 V134 I152 F165N82-L162 PolarHBondContact O-N 3.46Å; I84-L162 PolarHBondContact N-O 3.36Å; A133-L162 HydrophobicContact CB-CB 4.09Å; A133-L162 HydrophobicContact CB-CD2 4.31Å; V134-L162 HydrophobicContact CG2-CD2 4.21Å; I152-L162 HydrophobicContact CD1-CD1 3.62Å; L162-F165 HydrophobicContact CD2-CZ 4.18Å; L162-F165 HydrophobicContact CG-CZ 4.31Å
163C98Very high96Very high15 Ų1540.8 Ų40.810%0.10122%0.221CC..  trans-136.8174.4-179.377.20000112.3I84 H144 N151 L153I84-C163 HydrophobicContact CB-CB 4.06Å; I84-C163 HydrophobicContact CG1-CB 3.53Å; H144-C163 PolarHBondContact CE1-O 3.1Å; H144-C163 PolarHBondContact NE2-O 3.26Å; N151-C163 PolarHBondContact O-N 3.11Å; N151-C163 PolarHBondContact O-SG 3.44Å; N151-C163 VanDerWaalsContact O-SG 3.35Å; L153-C163 HydrophobicContact CD1-CB 4.14Å; L153-C163 HydrophobicContact CG-CB 4.32Å
164D95.7Very high95.5Very high53 Ų5343.4 Ų43.428%0.28326%0.256SS..  trans65.376.3175.6-162.513.9000115.4K56 H144 G166K56-D164 IonicContact NZ-OD1 3.83Å; K56-D164 PolarHBondContact NZ-OD1 2.94Å; H144-D164 PolarHBondContact CE1-O 3.3Å; H144-D164 PolarHBondContact NE2-O 2.83Å; D164-G166 PolarHBondContact O-N 3.5Å; D164-G166 PolarHBondContact OD1-N 3.5Å
165F96.6Very high95.2Very high1 Ų149.2 Ų49.20%0.00428%0.283CS..G310 helixtrans-87.517.7178.3-70.6-101.1000112.8E71 I74 M75 L78 I83 H144 L162 L167 A168E71-F165 HydrophobicContact CG-CB 4.34Å; I74-F165 HydrophobicContact CG2-CB 4.39Å; I74-F165 HydrophobicContact CG2-CD1 3.83Å; I74-F165 HydrophobicContact CG2-CG 4.37Å; M75-F165 HydrophobicContact CE-CD2 4.4Å; M75-F165 HydrophobicContact CG-CB 3.84Å; M75-F165 HydrophobicContact CG-CD2 3.97Å; M75-F165 HydrophobicContact CG-CG 4.05Å; M75-F165 HydrophobicContact SD-CB 4.39Å; M75-F165 HydrophobicContact SD-CD2 4.43Å; L78-F165 HydrophobicContact CD1-CD1 3.83Å; L78-F165 HydrophobicContact CD1-CE1 3.31Å; L78-F165 HydrophobicContact CD1-CE2 4.22Å; L78-F165 HydrophobicContact CD1-CG 4.48Å; L78-F165 HydrophobicContact CD1-CZ 3.54Å; I83-F165 HydrophobicContact CG2-CE2 3.72Å; I83-F165 HydrophobicContact CG2-CZ 3.75Å; H144-F165 AromaticContact CD2-CD1 3.87Å; H144-F165 AromaticContact CD2-CE1 3.65Å; H144-F165 AromaticContact CD2-CZ 3.84Å; L162-F165 HydrophobicContact CD2-CZ 4.18Å; L162-F165 HydrophobicContact CG-CZ 4.31Å; F165-L167 PolarHBondContact O-N 3.03Å; F165-L167 VanDerWaalsContact O-N 3.16Å; F165-A168 HydrophobicContact CB-CB 3.84Å; F165-A168 HydrophobicContact CD1-CB 3.76Å; F165-A168 HydrophobicContact CG-CB 4.28Å; F165-A168 VanDerWaalsContact O-CB 3.26Å; F165-A168 WeakPolarHBondContact O-CB 3.3Å; F165-A168 PolarHBondContact O-N 2.79Å
166G93.4Very high95.1Very high17 Ų1754.1 Ų54.118%0.17530%0.304CS..G310 helixtrans-59.9-27.6-178.600000113.8E71 D164E71-G166 WeakPolarHBondContact OE2-CA 3.29Å; D164-G166 PolarHBondContact O-N 3.5Å; D164-G166 PolarHBondContact OD1-N 3.5Å
167L94.4Very high95Very high60 Ų6050.7 Ų50.731%0.31428%0.278SS..G310 helixtrans-101.31.1174.6-62.3-176.6000113.6H144 R145 D146 F165 C181H144-L167 CarbonylContact O-C 3.33Å; R145-L167 PolarHBondContact NE-O 3Å; R145-L167 PolarHBondContact NH2-O 3.27Å; D146-L167 HydrophobicContact CB-CB 4.34Å; D146-L167 HydrophobicContact CB-CD1 3.9Å; F165-L167 PolarHBondContact O-N 3.03Å; F165-L167 VanDerWaalsContact O-N 3.16Å; L167-C181 HydrophobicContact CD1-CB 4.16Å; L167-C181 HydrophobicContact CD2-CB 4.26Å
168A96.8Very high94.7Very high0 Ų043.9 Ų43.90%027%0.265CS..  trans-64.9153.9-179.100000112R70 I74 I142 V143 H144 F165R70-A168 PolarHBondContact NE-O 3.31Å; I74-A168 HydrophobicContact CD1-CB 3.79Å; I74-A168 HydrophobicContact CG2-CB 4.3Å; I142-A168 HydrophobicContact CG2-CB 4.38Å; V143-A168 WeakPolarHBondContact O-CA 3.38Å; V143-A168 WeakPolarHBondContact O-CB 3.47Å; H144-A168 PolarHBondContact O-N 3.46Å; F165-A168 HydrophobicContact CB-CB 3.84Å; F165-A168 HydrophobicContact CD1-CB 3.76Å; F165-A168 HydrophobicContact CG-CB 4.28Å; F165-A168 VanDerWaalsContact O-CB 3.26Å; F165-A168 WeakPolarHBondContact O-CB 3.3Å; F165-A168 PolarHBondContact O-N 2.79Å
169A95.8Very high94.3Very high9 Ų945.5 Ų45.57%0.07428%0.282CS..EExtended strand (participates in β ladder)trans-143.4151.2177.300000111.2I142 V143 L177I142-A169 WeakPolarHBondContact CA-O 3.4Å; V143-A169 HydrophobicContact CG2-CB 4.28Å; V143-A169 WeakPolarHBondContact CG2-O 3.16Å; V143-A169 PolarHBondContact N-O 3.42Å; V143-A169 PolarHBondContact O-N 3.08Å; A169-L177 HydrophobicContact CB-CD1 4.3Å; A169-L177 HydrophobicContact CB-CD2 4.2Å
170E95.4Very high93.8Very high88 Ų8850.1 Ų50.141%0.41130%0.301SS..EExtended strand (participates in β ladder)trans-80.7139.3169.8-65.8173.6135.800109.8R73 I74 H141R73-E170 IonicContact CZ-OE1 2.83Å; R73-E170 IonicContact CZ-OE2 2.73Å; R73-E170 IonicContact NH1-OE1 2.69Å; R73-E170 PolarHBondContact NH1-OE1 3.42Å; R73-E170 IonicContact NH1-OE2 2.71Å; R73-E170 PolarHBondContact NH1-OE2 3.12Å; R73-E170 IonicContact NH2-OE1 3.24Å; R73-E170 IonicContact NH2-OE2 3.62Å; R73-E170 PolarHBondContact NH2-OE2 3.47Å; I74-E170 HydrophobicContact CD1-CG 4.49Å; I74-E170 HydrophobicContact CG1-CG 4.45Å; H141-E170 CarbonylContact O-C 3.54Å; H141-E170 WeakPolarHBondContact O-CA 3.47Å
171V94.3Very high93.3Very high27 Ų2751 Ų5116%0.16431%0.308CS..  trans-103.4115.6178.5-178.40000107.9H141 V143H141-V171 WeakPolarHBondContact CB-O 3.31Å; H141-V171 PolarHBondContact O-N 3.12Å; V143-V171 HydrophobicContact CB-CG2 4.2Å; V143-V171 HydrophobicContact CG1-CG2 3.49Å; V143-V171 VanDerWaalsContact CG1-CG2 3.49Å; V143-V171 HydrophobicContact CG2-CG2 3.74Å
172I92.4Very high92.8Very high92 Ų9251.4 Ų51.447%0.47232%0.315SS..  trans-91.2125.4171.2-61.6168.1000107.3G174 Q175I172-G174 PolarHBondContact O-N 3.48Å; I172-Q175 HydrophobicContact CB-CB 4.13Å; I172-Q175 HydrophobicContact CB-CG 4.04Å; I172-Q175 HydrophobicContact CG2-CG 3.96Å; I172-Q175 WeakPolarHBondContact O-CB 3.33Å; I172-Q175 PolarHBondContact O-N 2.91Å
173P88.4Confident92.6Very high102 Ų10253.6 Ų53.666%0.66233%0.329SS*.THydrogen-bonded Turntrans-50.5131.7177.6-29.235.8000112.4Q175P173-Q175 PolarHBondContact O-N 3.29Å
174G87.6Confident92.4Very high91 Ų9154.1 Ų54.194%0.93833%0.331SS*.THydrogen-bonded Turntrans80.5-7.5-176.900000115.2I172I172-G174 PolarHBondContact O-N 3.48Å
175Q92.8Very high92.5Very high121 Ų12152.9 Ų52.957%0.56533%0.326SS*.PPolyproline II helixtrans-100.8141.1174.8-59.6-168.7-0.900111.6I172 P173I172-Q175 HydrophobicContact CB-CB 4.13Å; I172-Q175 HydrophobicContact CB-CG 4.04Å; I172-Q175 HydrophobicContact CG2-CG 3.96Å; I172-Q175 WeakPolarHBondContact O-CB 3.33Å; I172-Q175 PolarHBondContact O-N 2.91Å; P173-Q175 PolarHBondContact O-N 3.29Å
176K94.1Very high92.6Very high123 Ų12353.4 Ų53.454%0.53533%0.328SS..PPolyproline II helixtrans-97.3146.5173.3-67.5-173.5177-175.50110.4K196 Y197K176-K196 HydrophobicContact CB-CB 3.83Å; K176-K196 HydrophobicContact CD-CB 4.16Å; K176-Y197 CarbonylContact C-O 3.57Å; K176-Y197 WeakPolarHBondContact CA-O 3.44Å; K176-Y197 WeakPolarHBondContact CB-O 3.46Å
177L94Very high92.8Very high28 Ų2852.8 Ų52.815%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-81.7159.2172.1-61.8175.2000110V143 A169 K196 Y197V143-L177 HydrophobicContact CG2-CD1 3.63Å; A169-L177 HydrophobicContact CB-CD1 4.3Å; A169-L177 HydrophobicContact CB-CD2 4.2Å; L177-K196 CarbonylContact O-C 3.58Å; L177-K196 WeakPolarHBondContact O-CA 3.09Å; L177-Y197 HydrophobicContact CB-CD2 4.18Å; L177-Y197 HydrophobicContact CB-CE1 4.32Å; L177-Y197 HydrophobicContact CB-CE2 3.68Å; L177-Y197 HydrophobicContact CD1-CE2 4.07Å; L177-Y197 PolarHBondContact N-O 3.4Å; L177-Y197 PolarHBondContact O-N 3.25Å
178A90.1Very high92.9Very high57 Ų5749.9 Ų49.947%0.47131%0.306SS..EExtended strand (participates in β ladder)trans-133.9162.517700000110.5K196A178-K196 HydrophobicContact CB-CG 4.25Å
179G86.9Confident93Very high46 Ų4650 Ų5047%0.47431%0.306SS..SBendtrans87.9133.1178.200000113.1Y197G179-Y197 WeakPolarHBondContact O-CE1 3.25Å; G179-Y197 PolarHBondContact O-OH 2.87Å; G179-Y197 VanDerWaalsContact O-OH 3.11Å
180F86.4Confident93Very high106 Ų10650.4 Ų50.447%0.46531%0.306SS..  trans-73.9127.6173.2177.7-96.8000110.1L184 C187 L191 L192F180-L184 HydrophobicContact CZ-CD1 4.27Å; F180-C187 HydrophobicContact CE2-CB 4.3Å; F180-L191 HydrophobicContact CD2-CB 4.05Å; F180-L191 WeakPolarHBondContact CD2-O 3.4Å; F180-L191 HydrophobicContact CE2-CB 4.31Å; F180-L192 HydrophobicContact CD2-CD2 4.02Å; F180-L192 HydrophobicContact CE2-CD2 3.4Å; F180-L192 HydrophobicContact CZ-CD2 4.16Å
181C88.1Confident93Very high20 Ų2046.8 Ų46.814%0.13529%0.29CS..  trans-148.8167.2172.161.70000110L167L167-C181 HydrophobicContact CD1-CB 4.16Å; L167-C181 HydrophobicContact CD2-CB 4.26Å
182G89Confident92.9Very high22 Ų2246.5 Ų46.523%0.22729%0.287CS..SBendtrans100.6176.9177.400000113.5D146D146-G182 WeakPolarHBondContact OD1-CA 3.49Å
183T94Very high92.9Very high47 Ų4748 Ų4829%0.28829%0.292SS..  trans-91111.4-176.6-54.60000110.1D146 K148 P185 Y186 C187D146-T183 WeakPolarHBondContact OD1-CB 3.49Å; D146-T183 PolarHBondContact OD1-N 2.71Å; D146-T183 PolarHBondContact OD1-OG1 2.99Å; K148-T183 HydrophobicContact CD-CG2 4.13Å; K148-T183 WeakPolarHBondContact CD-OG1 3.48Å; K148-T183 PolarHBondContact NZ-OG1 3.37Å; T183-P185 VanDerWaalsContact C-CD 3.47Å; T183-P185 WeakPolarHBondContact O-CD 3.19Å; T183-Y186 HydrophobicContact CG2-CD2 4.21Å; T183-Y186 WeakPolarHBondContact O-CA 3.31Å; T183-Y186 WeakPolarHBondContact O-CB 3.45Å; T183-Y186 PolarHBondContact O-N 3.1Å; T183-C187 PolarHBondContact O-N 3.11Å
184L95.5Very high93Very high27 Ų2745.3 Ų45.314%0.14128%0.278CS..G310 helixtrans-41.5-48.5-165.1178.665.6000116.4F180 Y186 C187 L192 F226 L229 I233F180-L184 HydrophobicContact CZ-CD1 4.27Å; L184-Y186 PolarHBondContact O-N 2.79Å; L184-Y186 VanDerWaalsContact O-N 3.08Å; L184-C187 WeakPolarHBondContact O-CB 3.44Å; L184-C187 PolarHBondContact O-N 2.76Å; L184-L192 HydrophobicContact CD1-CD1 4.22Å; L184-L192 HydrophobicContact CD1-CD2 3.77Å; L184-F226 HydrophobicContact CD1-CE2 4.24Å; L184-F226 HydrophobicContact CD2-CD2 3.4Å; L184-F226 VanDerWaalsContact CD2-CD2 3.4Å; L184-F226 HydrophobicContact CD2-CE2 3.49Å; L184-F226 VanDerWaalsContact CD2-CE2 3.49Å; L184-F226 HydrophobicContact CD2-CG 4.29Å; L184-F226 HydrophobicContact CD2-CZ 4.42Å; L184-F226 HydrophobicContact CG-CE2 4.47Å; L184-L229 HydrophobicContact CD2-CD2 3.69Å; L184-L229 HydrophobicContact CD2-CG 4.19Å; L184-L229 HydrophobicContact CG-CD2 3.88Å; L184-L229 HydrophobicContact CG-CG 4.31Å; L184-I233 HydrophobicContact CD1-CD1 4.06Å; L184-I233 HydrophobicContact CG-CD1 4.2Å; L184-I233 VanDerWaalsContact O-CD1 3.28Å; L184-I233 WeakPolarHBondContact O-CD1 3.39Å
185P97Very high93.1Very high27 Ų2748.7 Ų48.718%0.17527%0.27CS..G310 helixtrans-59.8-20.3179-21.931.6000115.3T183 L219 L229T183-P185 VanDerWaalsContact C-CD 3.47Å; T183-P185 WeakPolarHBondContact O-CD 3.19Å; P185-L219 HydrophobicContact CB-CD1 3.79Å; P185-L219 HydrophobicContact CB-CD2 4.41Å; P185-L219 HydrophobicContact CG-CD1 4.19Å; P185-L229 HydrophobicContact CG-CD2 4.01Å
186Y98.3Very high93.2Very high11 Ų1148.7 Ų48.74%0.04327%0.268CS..G310 helixtrans-101.3-5.1178.4-63-98.5000112.7I147 K148 A149 T183 L184 S206 V209 L210 L213 L219I147-Y186 WeakPolarHBondContact O-CD1 3.44Å; K148-Y186 HydrophobicContact CB-CD1 3.82Å; K148-Y186 HydrophobicContact CB-CD2 3.77Å; K148-Y186 HydrophobicContact CB-CE1 3.72Å; K148-Y186 HydrophobicContact CB-CE2 3.67Å; K148-Y186 HydrophobicContact CB-CG 3.84Å; A149-Y186 PolarHBondContact N-OH 3.25Å; T183-Y186 HydrophobicContact CG2-CD2 4.21Å; T183-Y186 WeakPolarHBondContact O-CA 3.31Å; T183-Y186 WeakPolarHBondContact O-CB 3.45Å; T183-Y186 PolarHBondContact O-N 3.1Å; L184-Y186 PolarHBondContact O-N 2.79Å; L184-Y186 VanDerWaalsContact O-N 3.08Å; Y186-S206 PolarHBondContact O-OG 3.38Å; Y186-V209 HydrophobicContact CD1-CB 3.88Å; Y186-V209 HydrophobicContact CD1-CG1 3.46Å; Y186-V209 VanDerWaalsContact CD1-CG1 3.46Å; Y186-V209 HydrophobicContact CE1-CB 4.42Å; Y186-V209 HydrophobicContact CE1-CG1 3.72Å; Y186-V209 HydrophobicContact CG-CG1 3.94Å; Y186-L210 HydrophobicContact CE1-CB 4.48Å; Y186-L213 WeakPolarHBondContact OH-CD2 3.38Å; Y186-L219 HydrophobicContact CE1-CD2 4.32Å; Y186-L219 HydrophobicContact CE2-CD2 3.99Å
187C97.5Very high93.2Very high4 Ų443.1 Ų43.13%0.02724%0.244CC..  trans-75.5137.1-177.5-68.70000111F180 T183 L184 L191 W205 I233F180-C187 HydrophobicContact CE2-CB 4.3Å; T183-C187 PolarHBondContact O-N 3.11Å; L184-C187 WeakPolarHBondContact O-CB 3.44Å; L184-C187 PolarHBondContact O-N 2.76Å; C187-L191 HydrophobicContact CB-CD1 3.86Å; C187-W205 PolarHBondContact O-NE1 2.63Å; C187-W205 VanDerWaalsContact O-NE1 3.08Å; C187-I233 WeakPolarHBondContact O-CG2 3.18Å
188A97.7Very high93.3Very high0 Ų046.9 Ų46.90%026%0.261CS..  trans-69.8151.6174.700000112.1E190 L191 V202 W205A188-E190 VanDerWaalsContact C-N 3.26Å; A188-E190 VanDerWaalsContact CB-CD 3.44Å; A188-E190 HydrophobicContact CB-CG 4.43Å; A188-E190 WeakPolarHBondContact CB-OE1 3.46Å; A188-E190 VanDerWaalsContact CB-OE2 3.3Å; A188-E190 WeakPolarHBondContact CB-OE2 3.27Å; A188-E190 PolarHBondContact O-N 2.83Å; A188-L191 WeakPolarHBondContact O-CB 3.29Å; A188-L191 PolarHBondContact O-N 3.21Å; A188-V202 HydrophobicContact CB-CB 4.44Å; A188-V202 HydrophobicContact CB-CG1 4.32Å; A188-V202 HydrophobicContact CB-CG2 4.26Å; A188-W205 HydrophobicContact CB-CB 3.7Å; A188-W205 HydrophobicContact CB-CD2 4.24Å; A188-W205 HydrophobicContact CB-CG 3.71Å
189P97.4Very high93.5Very high1 Ų144.3 Ų44.31%0.00624%0.239CC..Hα-helixtrans-55.2-38-179.1-27.735.5000113.9L191 L192 Q193 W205 I233P189-L191 PolarHBondContact O-N 3.33Å; P189-L192 WeakPolarHBondContact O-CA 2.96Å; P189-L192 WeakPolarHBondContact O-CB 3.41Å; P189-L192 PolarHBondContact O-N 3.07Å; P189-Q193 WeakPolarHBondContact O-CG 3.38Å; P189-Q193 PolarHBondContact O-N 2.84Å; P189-W205 HydrophobicContact CG-CE3 4.26Å; P189-W205 HydrophobicContact CG-CH2 3.45Å; P189-W205 VanDerWaalsContact CG-CH2 3.45Å; P189-W205 HydrophobicContact CG-CZ2 3.84Å; P189-W205 HydrophobicContact CG-CZ3 3.69Å; P189-I233 HydrophobicContact CG-CG2 4.14Å; P189-I233 WeakPolarHBondContact CG-O 3.45Å
190E96.5Very high94.1Very high18 Ų1844.2 Ų44.28%0.08423%0.231CC..Hα-helixtrans-65.1-26-179.565.2-86.6-157.600113.2A188 L192 Q193 A194 V202 R263A188-E190 VanDerWaalsContact C-N 3.26Å; A188-E190 VanDerWaalsContact CB-CD 3.44Å; A188-E190 HydrophobicContact CB-CG 4.43Å; A188-E190 WeakPolarHBondContact CB-OE1 3.46Å; A188-E190 VanDerWaalsContact CB-OE2 3.3Å; A188-E190 WeakPolarHBondContact CB-OE2 3.27Å; A188-E190 PolarHBondContact O-N 2.83Å; E190-L192 PolarHBondContact O-N 3.04Å; E190-Q193 PolarHBondContact O-N 3Å; E190-A194 WeakPolarHBondContact O-CB 3.43Å; E190-A194 PolarHBondContact O-N 2.91Å; E190-V202 HydrophobicContact CG-CG2 4.33Å; E190-R263 IonicContact OE1-CZ 3.9Å; E190-R263 IonicContact OE1-NH1 2.7Å; E190-R263 PolarHBondContact OE1-NH1 3.04Å; E190-R263 IonicContact OE1-NH2 3.05Å; E190-R263 IonicContact OE2-CZ 3.15Å; E190-R263 IonicContact OE2-NH1 2.81Å; E190-R263 PolarHBondContact OE2-NH1 3.38Å; E190-R263 IonicContact OE2-NH2 3.17Å; E190-R263 PolarHBondContact OE2-NH2 2.91Å
191L95.2Very high94.6Very high12 Ų1240.1 Ų40.16%0.06322%0.215CC..Hα-helixtrans-65.6-23.6171.6-68.1177.5000112F180 C187 A188 P189 Y197 V202F180-L191 HydrophobicContact CD2-CB 4.05Å; F180-L191 WeakPolarHBondContact CD2-O 3.4Å; F180-L191 HydrophobicContact CE2-CB 4.31Å; C187-L191 HydrophobicContact CB-CD1 3.86Å; A188-L191 WeakPolarHBondContact O-CB 3.29Å; A188-L191 PolarHBondContact O-N 3.21Å; P189-L191 PolarHBondContact O-N 3.33Å; L191-Y197 HydrophobicContact CD2-CD1 3.66Å; L191-Y197 HydrophobicContact CD2-CD2 3.91Å; L191-Y197 HydrophobicContact CD2-CE1 3.35Å; L191-Y197 HydrophobicContact CD2-CE2 3.62Å; L191-Y197 HydrophobicContact CD2-CG 3.93Å; L191-V202 HydrophobicContact CD1-CG1 3.64Å; L191-V202 HydrophobicContact CD2-CG1 4.45Å; L191-V202 HydrophobicContact CD2-CG2 4.18Å; L191-V202 HydrophobicContact CG-CG1 4.14Å; L191-V202 HydrophobicContact CG-CG2 4.16Å
192L93.4Very high95.1Very high22 Ų2239.2 Ų39.212%0.11521%0.208CC..Hα-helixtrans-98.6-11.3-175.8-55.6175.2000113.2F180 L184 P189 E190 K230 I233 I234F180-L192 HydrophobicContact CD2-CD2 4.02Å; F180-L192 HydrophobicContact CE2-CD2 3.4Å; F180-L192 HydrophobicContact CZ-CD2 4.16Å; L184-L192 HydrophobicContact CD1-CD1 4.22Å; L184-L192 HydrophobicContact CD1-CD2 3.77Å; P189-L192 WeakPolarHBondContact O-CA 2.96Å; P189-L192 WeakPolarHBondContact O-CB 3.41Å; P189-L192 PolarHBondContact O-N 3.07Å; E190-L192 PolarHBondContact O-N 3.04Å; L192-K230 HydrophobicContact CD1-CG 4.14Å; L192-K230 PolarHBondContact O-NZ 3.44Å; L192-I233 HydrophobicContact CD1-CB 4.13Å; L192-I233 HydrophobicContact CD1-CD1 4.21Å; L192-I233 HydrophobicContact CD1-CG2 3.72Å; L192-I234 HydrophobicContact CB-CD1 4.37Å; L192-I234 HydrophobicContact CD1-CG1 4.47Å
193Q91.7Very high95.5Very high123 Ų12338.2 Ų38.258%0.57520%0.198SC*.Hα-helixtrans-126-27.4-171-65.2-175.1-51.500114P189 E190 I234P189-Q193 WeakPolarHBondContact O-CG 3.38Å; P189-Q193 PolarHBondContact O-N 2.84Å; E190-Q193 PolarHBondContact O-N 3Å; Q193-I234 HydrophobicContact CG-CD1 3.84Å; Q193-I234 HydrophobicContact CG-CG1 4.09Å
194A89.8Confident95.8Very high45 Ų4536.1 Ų36.137%0.37219%0.185SC..  trans-110.5146.2-175.700000112E190E190-A194 WeakPolarHBondContact O-CB 3.43Å; E190-A194 PolarHBondContact O-N 2.91Å
195E89.2Confident95.9Very high163 Ų16334.8 Ų34.876%0.76218%0.178SC*.SBendtrans-71.6-34.6172-169.6-173.2167.700111.6
196K94.9Very high96Very high120 Ų12033.7 Ų33.752%0.52217%0.171SC..EExtended strand (participates in β ladder)trans-134.8140.3-179.5-60.3-174.1-177.8177.30111.5K176 L177 A178K176-K196 HydrophobicContact CB-CB 3.83Å; K176-K196 HydrophobicContact CD-CB 4.16Å; L177-K196 CarbonylContact O-C 3.58Å; L177-K196 WeakPolarHBondContact O-CA 3.09Å; A178-K196 HydrophobicContact CB-CG 4.25Å
197Y95.2Very high96.1Very high7 Ų733.1 Ų33.13%0.02717%0.168CC..EExtended strand (participates in β ladder)trans-138.5159.9-173.557-88.3000112.3R145 K176 L177 G179 L191 V202R145-Y197 PolarHBondContact NH1-OH 2.93Å; R145-Y197 VanDerWaalsContact NH1-OH 3.1Å; K176-Y197 CarbonylContact C-O 3.57Å; K176-Y197 WeakPolarHBondContact CA-O 3.44Å; K176-Y197 WeakPolarHBondContact CB-O 3.46Å; L177-Y197 HydrophobicContact CB-CD2 4.18Å; L177-Y197 HydrophobicContact CB-CE1 4.32Å; L177-Y197 HydrophobicContact CB-CE2 3.68Å; L177-Y197 HydrophobicContact CD1-CE2 4.07Å; L177-Y197 PolarHBondContact N-O 3.4Å; L177-Y197 PolarHBondContact O-N 3.25Å; G179-Y197 WeakPolarHBondContact O-CE1 3.25Å; G179-Y197 PolarHBondContact O-OH 2.87Å; G179-Y197 VanDerWaalsContact O-OH 3.11Å; L191-Y197 HydrophobicContact CD2-CD1 3.66Å; L191-Y197 HydrophobicContact CD2-CD2 3.91Å; L191-Y197 HydrophobicContact CD2-CE1 3.35Å; L191-Y197 HydrophobicContact CD2-CE2 3.62Å; L191-Y197 HydrophobicContact CD2-CG 3.93Å; Y197-V202 HydrophobicContact CD2-CG2 3.64Å; Y197-V202 HydrophobicContact CE2-CG2 4.06Å; Y197-V202 HydrophobicContact CG-CG2 4.44Å
198E95.3Very high96.1Very high107 Ų10733 Ų3350%0.517%0.167SC..  trans-80.6132.3168.4-69.3177.8-173.900109.1P201E198-P201 HydrophobicContact CB-CG 4.08Å
199G95.6Very high96.2Very high2 Ų233 Ų332%0.02117%0.167CC..Hα-helixtrans-66.2-57-174.200000114V202G199-V202 WeakPolarHBondContact O-CB 3.3Å; G199-V202 PolarHBondContact O-N 3.43Å
200P97.6Very high96.2Very high45 Ų4532.9 Ų32.929%0.29217%0.167SC..Hα-helixtrans-56.3-43-171.3-26.234.4000114.5V143 V202 D203 I204V143-P200 HydrophobicContact CG1-CB 4.45Å; V143-P200 HydrophobicContact CG1-CG 3.98Å; P200-V202 PolarHBondContact O-N 3.35Å; P200-V202 VanDerWaalsContact O-N 3.15Å; P200-D203 PolarHBondContact O-N 3.35Å; P200-D203 VanDerWaalsContact O-N 3.12Å; P200-I204 WeakPolarHBondContact O-CG1 3.42Å; P200-I204 PolarHBondContact O-N 3.5Å
201P98Very high96.3Very high20 Ų2032 Ų3213%0.1316%0.163CC..Hα-helixtrans-58.8-26.4177.1-26.736.4000114.9E198 I204 W205 P260 R263E198-P201 HydrophobicContact CB-CG 4.08Å; P201-I204 PolarHBondContact O-N 2.95Å; P201-W205 PolarHBondContact O-N 3.2Å; P201-W205 VanDerWaalsContact O-N 3.13Å; P201-P260 HydrophobicContact CB-CB 3.68Å; P201-P260 HydrophobicContact CG-CB 4.3Å; P201-R263 PolarHBondContact O-NH1 3.43Å
202V98.2Very high96.5Very high1 Ų132 Ų321%0.00616%0.162CC..Hα-helixtrans-66.6-46.6175.8173.30000110.6A188 E190 L191 Y197 G199 P200 I204 W205 S206A188-V202 HydrophobicContact CB-CB 4.44Å; A188-V202 HydrophobicContact CB-CG1 4.32Å; A188-V202 HydrophobicContact CB-CG2 4.26Å; E190-V202 HydrophobicContact CG-CG2 4.33Å; L191-V202 HydrophobicContact CD1-CG1 3.64Å; L191-V202 HydrophobicContact CD2-CG1 4.45Å; L191-V202 HydrophobicContact CD2-CG2 4.18Å; L191-V202 HydrophobicContact CG-CG1 4.14Å; L191-V202 HydrophobicContact CG-CG2 4.16Å; Y197-V202 HydrophobicContact CD2-CG2 3.64Å; Y197-V202 HydrophobicContact CE2-CG2 4.06Å; Y197-V202 HydrophobicContact CG-CG2 4.44Å; G199-V202 WeakPolarHBondContact O-CB 3.3Å; G199-V202 PolarHBondContact O-N 3.43Å; P200-V202 PolarHBondContact O-N 3.35Å; P200-V202 VanDerWaalsContact O-N 3.15Å; V202-I204 PolarHBondContact O-N 3.41Å; V202-W205 WeakPolarHBondContact O-CB 3.26Å; V202-W205 PolarHBondContact O-N 3.5Å; V202-S206 PolarHBondContact O-N 2.66Å; V202-S206 VanDerWaalsContact O-N 3.12Å; V202-S206 PolarHBondContact O-OG 2.9Å
203D98.7Very high96.7Very high0 Ų031.7 Ų31.70%016%0.16CC..Hα-helixtrans-62-36.2176.2-77-13.7000111.1V134 H138 V143 H144 R145 I147 P200 S206 L207V134-D203 HydrophobicContact CG1-CB 4.36Å; H138-D203 IonicContact CD2-OD2 2.93Å; H138-D203 IonicContact CE1-OD2 3.36Å; H138-D203 IonicContact NE2-OD2 3.94Å; H138-D203 PolarHBondContact NE2-OD2 3Å; V143-D203 VanDerWaalsContact CA-OD2 3.31Å; V143-D203 WeakPolarHBondContact CA-OD2 3.19Å; V143-D203 WeakPolarHBondContact CB-OD2 3.31Å; H144-D203 PolarHBondContact N-OD1 2.76Å; H144-D203 PolarHBondContact N-OD2 2.81Å; R145-D203 PolarHBondContact N-OD1 2.86Å; I147-D203 HydrophobicContact CD1-CB 3.64Å; P200-D203 PolarHBondContact O-N 3.35Å; P200-D203 VanDerWaalsContact O-N 3.12Å; D203-S206 PolarHBondContact O-N 3.21Å; D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 2.68Å
204I98.8Very high97Very high3 Ų325.8 Ų25.82%0.01513%0.133CC..Hα-helixtrans-62.2-42.7176.7-59.4-43.2000111.8P200 P201 V202 L207 G208 L255 R263 I266 I269P200-I204 WeakPolarHBondContact O-CG1 3.42Å; P200-I204 PolarHBondContact O-N 3.5Å; P201-I204 PolarHBondContact O-N 2.95Å; V202-I204 PolarHBondContact O-N 3.41Å; I204-L207 HydrophobicContact CD1-CD1 4.21Å; I204-L207 WeakPolarHBondContact O-CB 3.34Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-G208 PolarHBondContact O-N 3.01Å; I204-G208 VanDerWaalsContact O-N 3.11Å; I204-L255 HydrophobicContact CG2-CB 4.39Å; I204-L255 HydrophobicContact CG2-CD2 3.81Å; I204-R263 HydrophobicContact CG2-CB 4.11Å; I204-I266 HydrophobicContact CD1-CB 4.12Å; I204-I266 HydrophobicContact CD1-CD1 4.01Å; I204-I269 HydrophobicContact CD1-CD1 3.74Å; I204-I269 HydrophobicContact CG1-CD1 4.46Å; I204-I269 HydrophobicContact CG2-CD1 3.87Å
205W98.7Very high97.4Very high0 Ų024.1 Ų24.10%012%0.118CC..Hα-helixtrans-61.5-46.9174.4176.7-82.4000111.4C187 A188 P189 P201 V202 L207 G208 V209 F221 I233 A236 L256C187-W205 PolarHBondContact O-NE1 2.63Å; C187-W205 VanDerWaalsContact O-NE1 3.08Å; A188-W205 HydrophobicContact CB-CB 3.7Å; A188-W205 HydrophobicContact CB-CD2 4.24Å; A188-W205 HydrophobicContact CB-CG 3.71Å; P189-W205 HydrophobicContact CG-CE3 4.26Å; P189-W205 HydrophobicContact CG-CH2 3.45Å; P189-W205 VanDerWaalsContact CG-CH2 3.45Å; P189-W205 HydrophobicContact CG-CZ2 3.84Å; P189-W205 HydrophobicContact CG-CZ3 3.69Å; P201-W205 PolarHBondContact O-N 3.2Å; P201-W205 VanDerWaalsContact O-N 3.13Å; V202-W205 WeakPolarHBondContact O-CB 3.26Å; V202-W205 PolarHBondContact O-N 3.5Å; W205-L207 PolarHBondContact O-N 3.34Å; W205-G208 WeakPolarHBondContact O-CA 3.26Å; W205-G208 PolarHBondContact O-N 2.71Å; W205-V209 PolarHBondContact O-N 3.05Å; W205-F221 AromaticContact CE2-CE2 3.9Å; W205-F221 HydrophobicContact CH2-CE2 4.18Å; W205-F221 AromaticContact CH2-CZ 3.88Å; W205-F221 HydrophobicContact CH2-CZ 3.88Å; W205-F221 HydrophobicContact CZ2-CD2 4.29Å; W205-F221 AromaticContact CZ2-CE2 3.32Å; W205-F221 HydrophobicContact CZ2-CE2 3.32Å; W205-F221 AromaticContact CZ2-CZ 3.5Å; W205-F221 HydrophobicContact CZ2-CZ 3.5Å; W205-F221 VanDerWaalsContact CZ2-CZ 3.5Å; W205-I233 HydrophobicContact CZ2-CG2 4.02Å; W205-A236 HydrophobicContact CH2-CB 4.03Å; W205-L256 HydrophobicContact CD2-CD2 3.83Å; W205-L256 HydrophobicContact CE3-CD2 4.08Å; W205-L256 HydrophobicContact CG-CD2 4.24Å; W205-L256 HydrophobicContact CZ2-CD2 4.33Å; W205-L256 HydrophobicContact CZ3-CB 4.37Å; W205-L256 HydrophobicContact CZ3-CD2 4.45Å; W205-L256 VanDerWaalsContact CZ3-O 3.31Å; W205-L256 WeakPolarHBondContact CZ3-O 3.26Å
206S98.8Very high97.7Very high3 Ų317.1 Ų17.12%0.0219%0.087CC..Hα-helixtrans-61-34.4178.7-56.50000112.3I147 Y186 V202 D203 V209 L210I147-S206 WeakPolarHBondContact O-CB 3.2Å; Y186-S206 PolarHBondContact O-OG 3.38Å; V202-S206 PolarHBondContact O-N 2.66Å; V202-S206 VanDerWaalsContact O-N 3.12Å; V202-S206 PolarHBondContact O-OG 2.9Å; D203-S206 PolarHBondContact O-N 3.21Å; S206-V209 PolarHBondContact O-N 2.75Å; S206-L210 WeakPolarHBondContact O-CB 3.38Å; S206-L210 PolarHBondContact O-N 2.95Å
207L98.9Very high97.8Very high0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-63-39.5169.8-74.3173000112.4F127 I130 V131 V134 I147 D203 I204 W205 L210 L211 L255 I266F127-L207 HydrophobicContact CE2-CB 4.27Å; F127-L207 HydrophobicContact CE2-CD2 4.09Å; F127-L207 WeakPolarHBondContact CE2-O 3.32Å; F127-L207 HydrophobicContact CZ-CB 4.16Å; F127-L207 HydrophobicContact CZ-CD2 4.41Å; I130-L207 HydrophobicContact CG2-CD2 3.68Å; V131-L207 HydrophobicContact CG2-CD1 4.5Å; V134-L207 HydrophobicContact CB-CD1 4.37Å; V134-L207 HydrophobicContact CG1-CD1 4.15Å; V134-L207 HydrophobicContact CG2-CD1 4.38Å; V134-L207 HydrophobicContact CG2-CD2 4.21Å; I147-L207 HydrophobicContact CD1-CG 4.37Å; I147-L207 HydrophobicContact CG2-CD2 4.21Å; D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 2.68Å; I204-L207 HydrophobicContact CD1-CD1 4.21Å; I204-L207 WeakPolarHBondContact O-CB 3.34Å; I204-L207 PolarHBondContact O-N 3.49Å; W205-L207 PolarHBondContact O-N 3.34Å; L207-L210 PolarHBondContact O-N 3.02Å; L207-L211 WeakPolarHBondContact O-CB 3.48Å; L207-L211 PolarHBondContact O-N 3.37Å; L207-L255 HydrophobicContact CB-CD1 3.98Å; L207-I266 HydrophobicContact CD1-CD1 3.77Å
208G98.8Very high97.8Very high0 Ų016.6 Ų16.60%010%0.095CC..Hα-helixtrans-60.9-46.3173.900000112.7I204 W205 L210 L211 F212I204-G208 PolarHBondContact O-N 3.01Å; I204-G208 VanDerWaalsContact O-N 3.11Å; W205-G208 WeakPolarHBondContact O-CA 3.26Å; W205-G208 PolarHBondContact O-N 2.71Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 3.23Å; G208-L211 PolarHBondContact O-N 3.48Å; G208-F212 WeakPolarHBondContact O-CB 3.32Å; G208-F212 PolarHBondContact O-N 2.9Å
209V98.8Very high98Very high0 Ų013.7 Ų13.70%08%0.083CC..Hα-helixtrans-61.6-44.1175.7176.60000110.8Y186 W205 S206 F212 L213 L219 P220 F221 L256Y186-V209 HydrophobicContact CD1-CB 3.88Å; Y186-V209 HydrophobicContact CD1-CG1 3.46Å; Y186-V209 VanDerWaalsContact CD1-CG1 3.46Å; Y186-V209 HydrophobicContact CE1-CB 4.42Å; Y186-V209 HydrophobicContact CE1-CG1 3.72Å; Y186-V209 HydrophobicContact CG-CG1 3.94Å; W205-V209 PolarHBondContact O-N 3.05Å; S206-V209 PolarHBondContact O-N 2.75Å; V209-F212 PolarHBondContact O-N 2.71Å; V209-L213 WeakPolarHBondContact O-CB 3.29Å; V209-L213 PolarHBondContact O-N 3.43Å; V209-L219 HydrophobicContact CG1-CD2 3.77Å; V209-P220 HydrophobicContact CB-CG 4.32Å; V209-P220 HydrophobicContact CG1-CG 4.02Å; V209-P220 HydrophobicContact CG2-CG 4.12Å; V209-F221 HydrophobicContact CG2-CD2 4.37Å; V209-F221 HydrophobicContact CG2-CE2 4.02Å; V209-L256 HydrophobicContact CG2-CD2 3.86Å
210L98.8Very high98.1Very high0 Ų014.1 Ų14.10%09%0.085CC..Hα-helixtrans-63.7-45.5178.6179.759.6000112.1I130 I147 A149 I152 Y186 S206 L207 G208 F212 L213 M214I130-L210 HydrophobicContact CD1-CD2 3.91Å; I130-L210 HydrophobicContact CG2-CD2 4.22Å; I147-L210 HydrophobicContact CG2-CD2 4.04Å; A149-L210 HydrophobicContact CB-CD1 3.81Å; I152-L210 HydrophobicContact CD1-CD2 4.37Å; I152-L210 HydrophobicContact CG1-CD2 4.06Å; Y186-L210 HydrophobicContact CE1-CB 4.48Å; S206-L210 WeakPolarHBondContact O-CB 3.38Å; S206-L210 PolarHBondContact O-N 2.95Å; L207-L210 PolarHBondContact O-N 3.02Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 3.23Å; L210-F212 VanDerWaalsContact C-N 3.34Å; L210-F212 PolarHBondContact O-N 2.73Å; L210-L213 PolarHBondContact O-N 2.91Å; L210-M214 HydrophobicContact CD1-CG 4.34Å; L210-M214 HydrophobicContact CD1-SD 4.34Å; L210-M214 HydrophobicContact CG-SD 4.03Å; L210-M214 VanDerWaalsContact O-CG 3.25Å; L210-M214 WeakPolarHBondContact O-CG 3.45Å; L210-M214 PolarHBondContact O-N 2.95Å
211L98.5Very high98.1Very high0 Ų012 Ų120%07%0.072CC..Hα-helixtrans-61.4-44.5177.7-177.455.6000111.4T123 F127 L207 G208 L213 M214 V215 I248 V251 I252 M274T123-L211 HydrophobicContact CG2-CD1 3.78Å; F127-L211 HydrophobicContact CB-CD1 4.32Å; F127-L211 HydrophobicContact CD1-CD1 4.15Å; F127-L211 HydrophobicContact CD1-CD2 4.41Å; F127-L211 HydrophobicContact CD2-CB 4.01Å; F127-L211 HydrophobicContact CD2-CD1 3.95Å; F127-L211 HydrophobicContact CD2-CG 4.46Å; F127-L211 HydrophobicContact CE1-CD1 4.44Å; F127-L211 HydrophobicContact CE1-CD2 3.96Å; F127-L211 HydrophobicContact CE2-CB 3.6Å; F127-L211 HydrophobicContact CE2-CD1 4.3Å; F127-L211 HydrophobicContact CE2-CD2 4.43Å; F127-L211 HydrophobicContact CE2-CG 4.32Å; F127-L211 HydrophobicContact CG-CD1 3.86Å; F127-L211 HydrophobicContact CZ-CB 3.9Å; F127-L211 HydrophobicContact CZ-CD2 3.97Å; F127-L211 HydrophobicContact CZ-CG 4.35Å; L207-L211 WeakPolarHBondContact O-CB 3.48Å; L207-L211 PolarHBondContact O-N 3.37Å; G208-L211 PolarHBondContact O-N 3.48Å; L211-L213 VanDerWaalsContact C-N 3.33Å; L211-L213 PolarHBondContact O-N 3.16Å; L211-M214 PolarHBondContact O-N 3.49Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 3.34Å; L211-V215 VanDerWaalsContact O-N 3.16Å; L211-I248 HydrophobicContact CD1-CG2 4.02Å; L211-I248 HydrophobicContact CD2-CG2 4.04Å; L211-I248 HydrophobicContact CG-CG2 4.02Å; L211-V251 HydrophobicContact CD2-CB 4.17Å; L211-V251 HydrophobicContact CD2-CG1 3.69Å; L211-I252 HydrophobicContact CB-CG1 4.24Å; L211-I252 HydrophobicContact CD2-CG1 3.68Å; L211-I252 HydrophobicContact CG-CD1 4.2Å; L211-I252 HydrophobicContact CG-CG1 3.77Å; L211-M274 HydrophobicContact CD1-CE 4.32Å; L211-M274 HydrophobicContact CD2-CE 3.82Å; L211-M274 HydrophobicContact CD2-SD 4.3Å
212F98.5Very high97.9Very high11 Ų1116.8 Ų16.85%0.0489%0.092CC..Hα-helixtrans-57.6-47175.4-176-76.9000111.2G208 V209 L210 M214 V215 S216 N218 P220 F238 S239 I240 I252G208-F212 WeakPolarHBondContact O-CB 3.32Å; G208-F212 PolarHBondContact O-N 2.9Å; V209-F212 PolarHBondContact O-N 2.71Å; L210-F212 VanDerWaalsContact C-N 3.34Å; L210-F212 PolarHBondContact O-N 2.73Å; F212-M214 VanDerWaalsContact C-N 3.34Å; F212-M214 PolarHBondContact O-N 2.99Å; F212-V215 WeakPolarHBondContact O-CG2 3.3Å; F212-V215 PolarHBondContact O-N 3.15Å; F212-S216 VanDerWaalsContact CD1-OG 3.26Å; F212-S216 WeakPolarHBondContact CD1-OG 3.46Å; F212-S216 WeakPolarHBondContact CE1-OG 3.49Å; F212-S216 VanDerWaalsContact O-CB 3.32Å; F212-S216 WeakPolarHBondContact O-CB 3.45Å; F212-S216 PolarHBondContact O-N 3.25Å; F212-S216 PolarHBondContact O-OG 2.84Å; F212-N218 WeakPolarHBondContact CD1-O 3.43Å; F212-N218 VanDerWaalsContact CE1-O 3.27Å; F212-N218 WeakPolarHBondContact CE1-O 3.47Å; F212-P220 HydrophobicContact CB-CB 4.42Å; F212-P220 HydrophobicContact CB-CG 4.27Å; F212-P220 HydrophobicContact CD1-CB 3.74Å; F212-P220 VanDerWaalsContact CD1-CD 3.49Å; F212-P220 HydrophobicContact CD1-CG 4.05Å; F212-P220 HydrophobicContact CD2-CB 3.96Å; F212-P220 HydrophobicContact CE1-CB 3.93Å; F212-P220 HydrophobicContact CE2-CB 4.12Å; F212-P220 HydrophobicContact CG-CB 3.77Å; F212-P220 HydrophobicContact CG-CG 4.1Å; F212-P220 HydrophobicContact CZ-CB 4.11Å; F212-F238 HydrophobicContact CD2-CD2 4.13Å; F212-F238 AromaticContact CE2-CD2 3.87Å; F212-F238 HydrophobicContact CE2-CD2 3.87Å; F212-S239 WeakPolarHBondContact CE2-O 3.49Å; F212-S239 WeakPolarHBondContact CZ-O 3.46Å; F212-I240 HydrophobicContact CD2-CG1 4.21Å; F212-I240 HydrophobicContact CE2-CB 4.46Å; F212-I240 HydrophobicContact CE2-CG1 4.03Å; F212-I252 HydrophobicContact CB-CD1 4.31Å; F212-I252 HydrophobicContact CB-CG2 4.41Å; F212-I252 HydrophobicContact CD2-CD1 4.46Å; F212-I252 HydrophobicContact CD2-CG2 4.15Å
213L98.5Very high97.6Very high15 Ų1518.6 Ų18.68%0.07911%0.111CC..Hα-helixtrans-61.1-42.6177.4177.164.6000111.9I112 A149 Y186 V209 L210 L211 V215 G217 N218 L219I112-L213 HydrophobicContact CD1-CD2 4.39Å; I112-L213 HydrophobicContact CD1-CG 4.14Å; I112-L213 HydrophobicContact CG2-CD1 4.21Å; I112-L213 HydrophobicContact CG2-CG 4.32Å; A149-L213 HydrophobicContact CB-CD2 3.81Å; Y186-L213 WeakPolarHBondContact OH-CD2 3.38Å; V209-L213 WeakPolarHBondContact O-CB 3.29Å; V209-L213 PolarHBondContact O-N 3.43Å; L210-L213 PolarHBondContact O-N 2.91Å; L211-L213 VanDerWaalsContact C-N 3.33Å; L211-L213 PolarHBondContact O-N 3.16Å; L213-V215 VanDerWaalsContact C-N 3.33Å; L213-V215 PolarHBondContact O-N 2.91Å; L213-G217 VanDerWaalsContact O-CA 3.3Å; L213-G217 WeakPolarHBondContact O-CA 3.11Å; L213-G217 PolarHBondContact O-N 3.29Å; L213-N218 WeakPolarHBondContact CA-O 3.49Å; L213-L219 HydrophobicContact CB-CD2 4.46Å; L213-L219 HydrophobicContact CD1-CD2 4.48Å; L213-L219 HydrophobicContact CD1-CG 4.43Å; L213-L219 HydrophobicContact CD2-CD2 4.21Å
214M98.2Very high97.4Very high0 Ų028.8 Ų28.80%016%0.155CC..Hα-helixtrans-60.2-40.7180-72.8170.76900112.4L108 I112 L118 T123 L126 F127 I130 L210 L211 F212L108-M214 HydrophobicContact CD2-CE 4.48Å; L108-M214 HydrophobicContact CD2-CG 4.36Å; L108-M214 HydrophobicContact CD2-SD 4.23Å; I112-M214 HydrophobicContact CD1-CG 3.97Å; L118-M214 WeakPolarHBondContact CB-O 3.47Å; L118-M214 HydrophobicContact CD1-CB 4.11Å; L118-M214 HydrophobicContact CD1-CE 3.82Å; L118-M214 HydrophobicContact CD1-CG 4.02Å; L118-M214 PolarHBondContact N-O 3.48Å; T123-M214 HydrophobicContact CG2-CB 4.18Å; T123-M214 HydrophobicContact CG2-CE 4.13Å; L126-M214 HydrophobicContact CB-CE 3.84Å; F127-M214 HydrophobicContact CB-CE 4.04Å; F127-M214 HydrophobicContact CB-SD 4.37Å; F127-M214 HydrophobicContact CD2-SD 4.09Å; I130-M214 HydrophobicContact CD1-SD 4.36Å; L210-M214 HydrophobicContact CD1-CG 4.34Å; L210-M214 HydrophobicContact CD1-SD 4.34Å; L210-M214 HydrophobicContact CG-SD 4.03Å; L210-M214 VanDerWaalsContact O-CG 3.25Å; L210-M214 WeakPolarHBondContact O-CG 3.45Å; L210-M214 PolarHBondContact O-N 2.95Å; L211-M214 PolarHBondContact O-N 3.49Å; F212-M214 VanDerWaalsContact C-N 3.34Å; F212-M214 PolarHBondContact O-N 2.99Å
215V97Very high97.2Very high10 Ų1031 Ų316%0.06117%0.172CC..Hα-helixtrans-88.3-29.8-177.3-62.20000114.6S117 T123 L211 F212 L213 V244 I248 I252S117-V215 VanDerWaalsContact CB-O 3.31Å; S117-V215 WeakPolarHBondContact CB-O 3.38Å; T123-V215 HydrophobicContact CG2-CG1 3.56Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 3.34Å; L211-V215 VanDerWaalsContact O-N 3.16Å; F212-V215 WeakPolarHBondContact O-CG2 3.3Å; F212-V215 PolarHBondContact O-N 3.15Å; L213-V215 VanDerWaalsContact C-N 3.33Å; L213-V215 PolarHBondContact O-N 2.91Å; V215-V244 HydrophobicContact CB-CG2 4.26Å; V215-V244 HydrophobicContact CG2-CG1 4.18Å; V215-V244 HydrophobicContact CG2-CG2 3.81Å; V215-I248 HydrophobicContact CG1-CD1 4.24Å; V215-I248 HydrophobicContact CG1-CG2 4.06Å; V215-I252 HydrophobicContact CG2-CD1 4.05Å
216S96.1Very high96.9Very high15 Ų1537 Ų3711%0.10520%0.198CC..Hα-helixtrans-103.7-16.4-174.372.60000114.1F212 N218F212-S216 VanDerWaalsContact CD1-OG 3.26Å; F212-S216 WeakPolarHBondContact CD1-OG 3.46Å; F212-S216 WeakPolarHBondContact CE1-OG 3.49Å; F212-S216 VanDerWaalsContact O-CB 3.32Å; F212-S216 WeakPolarHBondContact O-CB 3.45Å; F212-S216 PolarHBondContact O-N 3.25Å; F212-S216 PolarHBondContact O-OG 2.84Å; S216-N218 PolarHBondContact O-N 3.01Å; S216-N218 PolarHBondContact O-ND2 3.47Å; S216-N218 PolarHBondContact OG-N 3.38Å; S216-N218 VanDerWaalsContact OG-N 3.16Å; S216-N218 PolarHBondContact OG-O 3.42Å
217G96.2Very high96.7Very high21 Ų2141.7 Ų41.722%0.21623%0.226CC..SBendtrans72.3-1-172.400000115.4G116 L213G116-G217 WeakPolarHBondContact O-CA 3.4Å; L213-G217 VanDerWaalsContact O-CA 3.3Å; L213-G217 WeakPolarHBondContact O-CA 3.11Å; L213-G217 PolarHBondContact O-N 3.29Å
218N96.5Very high96.5Very high95 Ų9545.2 Ų45.251%0.50825%0.245SC..SBendtrans-125.9153.8-176.7-67.5-81.5000110F212 L213 S216F212-N218 WeakPolarHBondContact CD1-O 3.43Å; F212-N218 VanDerWaalsContact CE1-O 3.27Å; F212-N218 WeakPolarHBondContact CE1-O 3.47Å; L213-N218 WeakPolarHBondContact CA-O 3.49Å; S216-N218 PolarHBondContact O-N 3.01Å; S216-N218 PolarHBondContact O-ND2 3.47Å; S216-N218 PolarHBondContact OG-N 3.38Å; S216-N218 VanDerWaalsContact OG-N 3.16Å; S216-N218 PolarHBondContact OG-O 3.42Å
219L97.8Very high96.4Very high46 Ų4646.2 Ų46.224%0.24125%0.25CS..  trans-74.8144.3170.5-72.3165.4000109.9P185 Y186 V209 L213 F221 Q222P185-L219 HydrophobicContact CB-CD1 3.79Å; P185-L219 HydrophobicContact CB-CD2 4.41Å; P185-L219 HydrophobicContact CG-CD1 4.19Å; Y186-L219 HydrophobicContact CE1-CD2 4.32Å; Y186-L219 HydrophobicContact CE2-CD2 3.99Å; V209-L219 HydrophobicContact CG1-CD2 3.77Å; L213-L219 HydrophobicContact CB-CD2 4.46Å; L213-L219 HydrophobicContact CD1-CD2 4.48Å; L213-L219 HydrophobicContact CD1-CG 4.43Å; L213-L219 HydrophobicContact CD2-CD2 4.21Å; L219-F221 VanDerWaalsContact C-N 3.28Å; L219-F221 PolarHBondContact O-N 2.89Å; L219-Q222 HydrophobicContact CB-CG 4.34Å; L219-Q222 PolarHBondContact O-NE2 2.63Å
220P98Very high96.2Very high11 Ų1149.5 Ų49.57%0.07127%0.265CS..SBendtrans-66-32178.825.2-31.6000112.3V209 F212 F238 L256V209-P220 HydrophobicContact CB-CG 4.32Å; V209-P220 HydrophobicContact CG1-CG 4.02Å; V209-P220 HydrophobicContact CG2-CG 4.12Å; F212-P220 HydrophobicContact CB-CB 4.42Å; F212-P220 HydrophobicContact CB-CG 4.27Å; F212-P220 HydrophobicContact CD1-CB 3.74Å; F212-P220 VanDerWaalsContact CD1-CD 3.49Å; F212-P220 HydrophobicContact CD1-CG 4.05Å; F212-P220 HydrophobicContact CD2-CB 3.96Å; F212-P220 HydrophobicContact CE1-CB 3.93Å; F212-P220 HydrophobicContact CE2-CB 4.12Å; F212-P220 HydrophobicContact CG-CB 3.77Å; F212-P220 HydrophobicContact CG-CG 4.1Å; F212-P220 HydrophobicContact CZ-CB 4.11Å; P220-F238 HydrophobicContact CB-CB 3.86Å; P220-F238 HydrophobicContact CB-CD2 4.33Å; P220-F238 HydrophobicContact CB-CG 4.1Å; P220-F238 WeakPolarHBondContact O-CB 3.43Å; P220-L256 HydrophobicContact CB-CD1 4.5Å; P220-L256 HydrophobicContact CG-CD1 4.49Å
221F98Very high96.1Very high2 Ų255 Ų551%0.00929%0.29CS..  trans-116.1125.5-178.7-46.3-62.4000109.9W205 V209 L219 L229 E232 I233 F238 L256W205-F221 AromaticContact CE2-CE2 3.9Å; W205-F221 HydrophobicContact CH2-CE2 4.18Å; W205-F221 AromaticContact CH2-CZ 3.88Å; W205-F221 HydrophobicContact CH2-CZ 3.88Å; W205-F221 HydrophobicContact CZ2-CD2 4.29Å; W205-F221 AromaticContact CZ2-CE2 3.32Å; W205-F221 HydrophobicContact CZ2-CE2 3.32Å; W205-F221 AromaticContact CZ2-CZ 3.5Å; W205-F221 HydrophobicContact CZ2-CZ 3.5Å; W205-F221 VanDerWaalsContact CZ2-CZ 3.5Å; V209-F221 HydrophobicContact CG2-CD2 4.37Å; V209-F221 HydrophobicContact CG2-CE2 4.02Å; L219-F221 VanDerWaalsContact C-N 3.28Å; L219-F221 PolarHBondContact O-N 2.89Å; F221-L229 HydrophobicContact CB-CD1 3.79Å; F221-L229 WeakPolarHBondContact O-CD1 3.3Å; F221-E232 HydrophobicContact CB-CB 4.25Å; F221-E232 HydrophobicContact CD1-CB 4.33Å; F221-E232 WeakPolarHBondContact CD1-O 3.43Å; F221-I233 HydrophobicContact CB-CG1 3.83Å; F221-I233 HydrophobicContact CD2-CG1 3.9Å; F221-I233 HydrophobicContact CG-CG1 3.87Å; F221-F238 HydrophobicContact CD1-CB 4.46Å; F221-F238 HydrophobicContact CE1-CB 4.1Å; F221-F238 AromaticContact CE1-CD1 3.6Å; F221-F238 HydrophobicContact CE1-CD1 3.6Å; F221-F238 HydrophobicContact CE1-CE1 4.44Å; F221-F238 HydrophobicContact CE1-CG 4.21Å; F221-F238 AromaticContact CZ-CD1 3.89Å; F221-F238 HydrophobicContact CZ-CD1 3.89Å; F221-F238 HydrophobicContact CZ-CE1 4.34Å; F221-L256 HydrophobicContact CE2-CD2 4.41Å; F221-L256 HydrophobicContact CZ-CD1 4.38Å
222Q94.3Very high96.1Very high120 Ų12057.5 Ų57.556%0.56130%0.302SS*.  trans-140.5143.8-179.3-59.7-177.239.700109.5L219L219-Q222 HydrophobicContact CB-CG 4.34Å; L219-Q222 PolarHBondContact O-NE2 2.63Å
223G92.5Very high96Very high39 Ų3957 Ų5740%0.40230%0.299SS..  trans-153151.5179.700000111.2S225G223-S225 VanDerWaalsContact C-N 3.33Å
224K92.8Very high96Very high213 Ų21357.7 Ų57.793%0.92630%0.303SS*.SBendtrans-76.5-26.1177.7-65.6-179.3-178.8176.50112
225S94.8Very high95.8Very high51 Ų5160.1 Ų60.136%0.35732%0.32SS..SBendtrans-126.2165.6174.572.10000111.5G223 V227 D228 L229G223-S225 VanDerWaalsContact C-N 3.33Å; S225-V227 PolarHBondContact O-N 2.99Å; S225-V227 PolarHBondContact OG-N 3.24Å; S225-D228 WeakPolarHBondContact CB-OD2 3.09Å; S225-D228 PolarHBondContact N-OD2 2.78Å; S225-D228 PolarHBondContact O-N 3.39Å; S225-D228 PolarHBondContact OG-N 3.22Å; S225-D228 VanDerWaalsContact OG-N 3.12Å; S225-D228 PolarHBondContact OG-OD1 2.69Å; S225-D228 PolarHBondContact OG-OD2 3.38Å; S225-L229 PolarHBondContact O-N 2.75Å
226F92Very high95.8Very high124 Ų12460.6 Ų60.654%0.54433%0.325SS..Hα-helixtrans-54.1-38.9170.4177.5-85.7000111.8L184 K230L184-F226 HydrophobicContact CD1-CE2 4.24Å; L184-F226 HydrophobicContact CD2-CD2 3.4Å; L184-F226 VanDerWaalsContact CD2-CD2 3.4Å; L184-F226 HydrophobicContact CD2-CE2 3.49Å; L184-F226 VanDerWaalsContact CD2-CE2 3.49Å; L184-F226 HydrophobicContact CD2-CG 4.29Å; L184-F226 HydrophobicContact CD2-CZ 4.42Å; L184-F226 HydrophobicContact CG-CE2 4.47Å; F226-K230 HydrophobicContact CE1-CB 4.49Å; F226-K230 HydrophobicContact CE1-CD 4.09Å; F226-K230 WeakPolarHBondContact O-CB 3.41Å; F226-K230 PolarHBondContact O-N 2.75Å
227V94.8Very high95.6Very high102 Ų10264 Ų6462%0.61834%0.342SS*.Hα-helixtrans-67.5-45.3-179.31790000110.6S225 K230 Q231S225-V227 PolarHBondContact O-N 2.99Å; S225-V227 PolarHBondContact OG-N 3.24Å; V227-K230 PolarHBondContact O-N 2.76Å; V227-Q231 WeakPolarHBondContact O-CB 3.09Å; V227-Q231 PolarHBondContact O-N 2.87Å
228D95.7Very high95.6Very high74 Ų7465.1 Ų65.140%0.39634%0.341SS..Hα-helixtrans-62.5-47.2178.7-54.6-38000111S225 K230 Q231 E232S225-D228 WeakPolarHBondContact CB-OD2 3.09Å; S225-D228 PolarHBondContact N-OD2 2.78Å; S225-D228 PolarHBondContact O-N 3.39Å; S225-D228 PolarHBondContact OG-N 3.22Å; S225-D228 VanDerWaalsContact OG-N 3.12Å; S225-D228 PolarHBondContact OG-OD1 2.69Å; S225-D228 PolarHBondContact OG-OD2 3.38Å; D228-K230 PolarHBondContact O-N 2.93Å; D228-Q231 WeakPolarHBondContact O-CB 2.99Å; D228-Q231 PolarHBondContact O-N 3.22Å; D228-E232 PolarHBondContact O-N 3.32Å; D228-E232 VanDerWaalsContact O-N 3.08Å
229L96.4Very high95.5Very high21 Ų2165.4 Ų65.411%0.1135%0.351CS..Hα-helixtrans-64.2-43179.2176.557.6000111.6L184 P185 F221 S225 Q231 E232 I233L184-L229 HydrophobicContact CD2-CD2 3.69Å; L184-L229 HydrophobicContact CD2-CG 4.19Å; L184-L229 HydrophobicContact CG-CD2 3.88Å; L184-L229 HydrophobicContact CG-CG 4.31Å; P185-L229 HydrophobicContact CG-CD2 4.01Å; F221-L229 HydrophobicContact CB-CD1 3.79Å; F221-L229 WeakPolarHBondContact O-CD1 3.3Å; S225-L229 PolarHBondContact O-N 2.75Å; L229-Q231 PolarHBondContact O-N 2.78Å; L229-E232 PolarHBondContact O-N 2.82Å; L229-I233 HydrophobicContact CD1-CD1 4.06Å; L229-I233 HydrophobicContact CD1-CG1 4.28Å; L229-I233 HydrophobicContact CG-CD1 3.97Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.49Å; L229-I233 PolarHBondContact O-N 3Å; L229-I233 VanDerWaalsContact O-N 3.07Å
230K95.4Very high95.4Very high70 Ų7064.3 Ų64.330%0.30435%0.345SS..Hα-helixtrans-57.7-40.7174.5169.9168.5-178.8171.40111.2L192 F226 V227 D228 I233 I234L192-K230 HydrophobicContact CD1-CG 4.14Å; L192-K230 PolarHBondContact O-NZ 3.44Å; F226-K230 HydrophobicContact CE1-CB 4.49Å; F226-K230 HydrophobicContact CE1-CD 4.09Å; F226-K230 WeakPolarHBondContact O-CB 3.41Å; F226-K230 PolarHBondContact O-N 2.75Å; V227-K230 PolarHBondContact O-N 2.76Å; D228-K230 PolarHBondContact O-N 2.93Å; K230-I233 PolarHBondContact O-N 2.85Å; K230-I234 HydrophobicContact CD-CD1 4.31Å; K230-I234 HydrophobicContact CG-CD1 3.7Å; K230-I234 HydrophobicContact CG-CG1 4.46Å; K230-I234 WeakPolarHBondContact O-CB 3.32Å; K230-I234 WeakPolarHBondContact O-CG1 3.34Å; K230-I234 PolarHBondContact O-N 3.5Å
231Q96.5Very high95.2Very high114 Ų11465.7 Ų65.753%0.53335%0.353SS..Hα-helixtrans-65.5-44.9-180-173.159.234.600111.8V227 D228 L229 I233 I234 S235V227-Q231 WeakPolarHBondContact O-CB 3.09Å; V227-Q231 PolarHBondContact O-N 2.87Å; D228-Q231 WeakPolarHBondContact O-CB 2.99Å; D228-Q231 PolarHBondContact O-N 3.22Å; L229-Q231 PolarHBondContact O-N 2.78Å; Q231-I233 VanDerWaalsContact C-N 3.34Å; Q231-I233 PolarHBondContact O-N 2.89Å; Q231-I234 PolarHBondContact O-N 2.95Å; Q231-S235 PolarHBondContact O-N 3.09Å; Q231-S235 PolarHBondContact O-OG 3.5Å
232E97.6Very high95Very high53 Ų5371.7 Ų71.725%0.24840%0.396CS..Hα-helixtrans-61.5-40176.9-70.2-68.8103.500112.4F221 D228 L229 S235 A236 N237F221-E232 HydrophobicContact CB-CB 4.25Å; F221-E232 HydrophobicContact CD1-CB 4.33Å; F221-E232 WeakPolarHBondContact CD1-O 3.43Å; D228-E232 PolarHBondContact O-N 3.32Å; D228-E232 VanDerWaalsContact O-N 3.08Å; L229-E232 PolarHBondContact O-N 2.82Å; E232-S235 PolarHBondContact O-OG 3.26Å; E232-A236 WeakPolarHBondContact O-CA 3.14Å; E232-A236 PolarHBondContact O-N 3.23Å; E232-N237 VanDerWaalsContact CD-ND2 3.34Å; E232-N237 PolarHBondContact O-N 3.26Å; E232-N237 PolarHBondContact OE1-ND2 3.04Å; E232-N237 PolarHBondContact OE2-ND2 3.45Å
233I97.6Very high94.9Very high0 Ų072 Ų720%040%0.397CS..Hα-helixtrans-63.6-49.4175.6-67.2164.5000110.2L184 C187 P189 L192 W205 F221 L229 K230 Q231 S235 A236L184-I233 HydrophobicContact CD1-CD1 4.06Å; L184-I233 HydrophobicContact CG-CD1 4.2Å; L184-I233 VanDerWaalsContact O-CD1 3.28Å; L184-I233 WeakPolarHBondContact O-CD1 3.39Å; C187-I233 WeakPolarHBondContact O-CG2 3.18Å; P189-I233 HydrophobicContact CG-CG2 4.14Å; P189-I233 WeakPolarHBondContact CG-O 3.45Å; L192-I233 HydrophobicContact CD1-CB 4.13Å; L192-I233 HydrophobicContact CD1-CD1 4.21Å; L192-I233 HydrophobicContact CD1-CG2 3.72Å; W205-I233 HydrophobicContact CZ2-CG2 4.02Å; F221-I233 HydrophobicContact CB-CG1 3.83Å; F221-I233 HydrophobicContact CD2-CG1 3.9Å; F221-I233 HydrophobicContact CG-CG1 3.87Å; L229-I233 HydrophobicContact CD1-CD1 4.06Å; L229-I233 HydrophobicContact CD1-CG1 4.28Å; L229-I233 HydrophobicContact CG-CD1 3.97Å; L229-I233 VanDerWaalsContact O-CG1 3.31Å; L229-I233 WeakPolarHBondContact O-CG1 3.49Å; L229-I233 PolarHBondContact O-N 3Å; L229-I233 VanDerWaalsContact O-N 3.07Å; K230-I233 PolarHBondContact O-N 2.85Å; Q231-I233 VanDerWaalsContact C-N 3.34Å; Q231-I233 PolarHBondContact O-N 2.89Å; I233-S235 VanDerWaalsContact C-N 3.33Å; I233-S235 PolarHBondContact O-N 3.43Å; I233-A236 PolarHBondContact O-N 2.93Å; I233-A236 VanDerWaalsContact O-N 3.11Å
234I96.8Very high94.9Very high30 Ų3070.8 Ų70.815%0.15438%0.381CS..Hα-helixtrans-64.7-37-176.9-74.4172000112L192 Q193 K230 Q231 A236L192-I234 HydrophobicContact CB-CD1 4.37Å; L192-I234 HydrophobicContact CD1-CG1 4.47Å; Q193-I234 HydrophobicContact CG-CD1 3.84Å; Q193-I234 HydrophobicContact CG-CG1 4.09Å; K230-I234 HydrophobicContact CD-CD1 4.31Å; K230-I234 HydrophobicContact CG-CD1 3.7Å; K230-I234 HydrophobicContact CG-CG1 4.46Å; K230-I234 WeakPolarHBondContact O-CB 3.32Å; K230-I234 WeakPolarHBondContact O-CG1 3.34Å; K230-I234 PolarHBondContact O-N 3.5Å; Q231-I234 PolarHBondContact O-N 2.95Å; I234-A236 VanDerWaalsContact C-N 3.3Å
235S95.7Very high94.9Very high52 Ų5262.2 Ų62.236%0.36435%0.348SS..Hα-helixtrans-82.5-7.6176.660.60000113.5Q231 E232 I233 N237Q231-S235 PolarHBondContact O-N 3.09Å; Q231-S235 PolarHBondContact O-OG 3.5Å; E232-S235 PolarHBondContact O-OG 3.26Å; I233-S235 VanDerWaalsContact C-N 3.33Å; I233-S235 PolarHBondContact O-N 3.43Å; S235-N237 PolarHBondContact O-N 3.4Å; S235-N237 WeakPolarHBondContact OG-CB 2.98Å
236A96.2Very high94.8Very high19 Ų1965.6 Ų65.616%0.15736%0.36CS..THydrogen-bonded Turntrans44.545.3-167.400000112W205 E232 I233 I234 F238 I258W205-A236 HydrophobicContact CH2-CB 4.03Å; E232-A236 WeakPolarHBondContact O-CA 3.14Å; E232-A236 PolarHBondContact O-N 3.23Å; I233-A236 PolarHBondContact O-N 2.93Å; I233-A236 VanDerWaalsContact O-N 3.11Å; I234-A236 VanDerWaalsContact C-N 3.3Å; A236-F238 HydrophobicContact CB-CE1 4.35Å; A236-F238 WeakPolarHBondContact O-CD1 3.45Å; A236-F238 PolarHBondContact O-N 3.25Å; A236-I258 HydrophobicContact CB-CD1 3.83Å; A236-I258 HydrophobicContact CB-CG1 3.47Å; A236-I258 VanDerWaalsContact CB-CG1 3.47Å
237N92.3Very high94.8Very high88 Ų8862.1 Ų62.147%0.47135%0.348SS..  trans-82.8103.5-179.9-176.233.3000109.9E232 S235E232-N237 VanDerWaalsContact CD-ND2 3.34Å; E232-N237 PolarHBondContact O-N 3.26Å; E232-N237 PolarHBondContact OE1-ND2 3.04Å; E232-N237 PolarHBondContact OE2-ND2 3.45Å; S235-N237 PolarHBondContact O-N 3.4Å; S235-N237 WeakPolarHBondContact OG-CB 2.98Å
238F95.5Very high94.7Very high44 Ų4457.3 Ų57.319%0.19332%0.318CS..  trans-152.7162.2175.366.4-79.9000110.3F212 P220 F221 A236 I240 I252 I253 L256F212-F238 HydrophobicContact CD2-CD2 4.13Å; F212-F238 AromaticContact CE2-CD2 3.87Å; F212-F238 HydrophobicContact CE2-CD2 3.87Å; P220-F238 HydrophobicContact CB-CB 3.86Å; P220-F238 HydrophobicContact CB-CD2 4.33Å; P220-F238 HydrophobicContact CB-CG 4.1Å; P220-F238 WeakPolarHBondContact O-CB 3.43Å; F221-F238 HydrophobicContact CD1-CB 4.46Å; F221-F238 HydrophobicContact CE1-CB 4.1Å; F221-F238 AromaticContact CE1-CD1 3.6Å; F221-F238 HydrophobicContact CE1-CD1 3.6Å; F221-F238 HydrophobicContact CE1-CE1 4.44Å; F221-F238 HydrophobicContact CE1-CG 4.21Å; F221-F238 AromaticContact CZ-CD1 3.89Å; F221-F238 HydrophobicContact CZ-CD1 3.89Å; F221-F238 HydrophobicContact CZ-CE1 4.34Å; A236-F238 HydrophobicContact CB-CE1 4.35Å; A236-F238 WeakPolarHBondContact O-CD1 3.45Å; A236-F238 PolarHBondContact O-N 3.25Å; F238-I240 HydrophobicContact CD2-CG1 4.02Å; F238-I240 HydrophobicContact CE2-CD1 4Å; F238-I240 HydrophobicContact CE2-CG1 3.7Å; F238-I252 HydrophobicContact CE2-CG2 3.98Å; F238-I252 HydrophobicContact CZ-CG2 4.47Å; F238-I253 HydrophobicContact CE2-CD1 4.17Å; F238-I253 HydrophobicContact CZ-CD1 3.99Å; F238-L256 HydrophobicContact CD1-CD1 4.41Å; F238-L256 HydrophobicContact CD2-CD1 4.41Å; F238-L256 HydrophobicContact CE1-CB 3.95Å; F238-L256 HydrophobicContact CE1-CD1 3.87Å; F238-L256 HydrophobicContact CE2-CD1 3.86Å; F238-L256 HydrophobicContact CZ-CB 3.84Å; F238-L256 HydrophobicContact CZ-CD1 3.56Å; F238-L256 HydrophobicContact CZ-CG 4.33Å
239S95.8Very high94.7Very high101 Ų10157.3 Ų57.371%0.70632%0.315SS*.  trans-128127.617356.50000109.9F212F212-S239 WeakPolarHBondContact CE2-O 3.49Å; F212-S239 WeakPolarHBondContact CZ-O 3.46Å
240I95.3Very high94.7Very high23 Ų2359.8 Ų59.812%0.11833%0.329CS..  trans-81.6128.1176-55.4174.1000107.8F212 F238 V244 F249 I252 I253F212-I240 HydrophobicContact CD2-CG1 4.21Å; F212-I240 HydrophobicContact CE2-CB 4.46Å; F212-I240 HydrophobicContact CE2-CG1 4.03Å; F238-I240 HydrophobicContact CD2-CG1 4.02Å; F238-I240 HydrophobicContact CE2-CD1 4Å; F238-I240 HydrophobicContact CE2-CG1 3.7Å; I240-V244 HydrophobicContact CG2-CB 3.74Å; I240-V244 HydrophobicContact CG2-CG1 3.96Å; I240-V244 HydrophobicContact CG2-CG2 3.77Å; I240-F249 HydrophobicContact CB-CD2 3.64Å; I240-F249 HydrophobicContact CB-CE2 3.75Å; I240-F249 HydrophobicContact CD1-CB 4.48Å; I240-F249 HydrophobicContact CD1-CD1 4.43Å; I240-F249 HydrophobicContact CD1-CD2 3.52Å; I240-F249 HydrophobicContact CD1-CE2 3.7Å; I240-F249 HydrophobicContact CD1-CG 3.89Å; I240-F249 HydrophobicContact CD1-CZ 4.21Å; I240-F249 HydrophobicContact CG1-CD2 4.13Å; I240-F249 HydrophobicContact CG1-CE2 4.15Å; I240-F249 HydrophobicContact CG2-CD2 3.68Å; I240-F249 HydrophobicContact CG2-CE2 4.31Å; I240-I252 HydrophobicContact CD1-CB 3.88Å; I240-I252 HydrophobicContact CD1-CD1 4.46Å; I240-I252 HydrophobicContact CD1-CG2 3.64Å; I240-I252 HydrophobicContact CG1-CG2 4.19Å; I240-I253 HydrophobicContact CD1-CD1 3.74Å; I240-I253 HydrophobicContact CD1-CG1 3.91Å
241P94.3Very high94.7Very high39 Ų3956.5 Ų56.525%0.25331%0.314SS..  trans-57.2142.9177.7-25.634.2000112.8H243 V244P241-H243 WeakPolarHBondContact CB-CE1 3.33Å; P241-H243 WeakPolarHBondContact CB-ND1 3.22Å; P241-H243 PolarHBondContact O-N 2.98Å; P241-H243 VanDerWaalsContact O-N 3.11Å; P241-V244 HydrophobicContact CB-CG2 4.26Å; P241-V244 HydrophobicContact CG-CG2 4.49Å; P241-V244 WeakPolarHBondContact O-CB 3.39Å; P241-V244 WeakPolarHBondContact O-CG2 3.45Å; P241-V244 PolarHBondContact O-N 3.31Å
242S92.9Very high94.8Very high128 Ų12851.1 Ų51.190%0.89529%0.289SS*.THydrogen-bonded Turntrans-64.3-17.9-175.855.60000115.1V244S242-V244 VanDerWaalsContact C-N 3.31Å
243H91.3Very high94.7Very high128 Ų12851.7 Ų51.759%0.59329%0.293SS*.THydrogen-bonded Turntrans-81.1-10176.866-96.5000113.1P241P241-H243 WeakPolarHBondContact CB-CE1 3.33Å; P241-H243 WeakPolarHBondContact CB-ND1 3.22Å; P241-H243 PolarHBondContact O-N 2.98Å; P241-H243 VanDerWaalsContact O-N 3.11Å
244V93.8Very high94.7Very high12 Ų1255.2 Ų55.27%0.07331%0.31CS..SBendtrans-70.7129.3178.6176.10000109.2V215 I240 P241 S242 I248 F249V215-V244 HydrophobicContact CB-CG2 4.26Å; V215-V244 HydrophobicContact CG2-CG1 4.18Å; V215-V244 HydrophobicContact CG2-CG2 3.81Å; I240-V244 HydrophobicContact CG2-CB 3.74Å; I240-V244 HydrophobicContact CG2-CG1 3.96Å; I240-V244 HydrophobicContact CG2-CG2 3.77Å; P241-V244 HydrophobicContact CB-CG2 4.26Å; P241-V244 HydrophobicContact CG-CG2 4.49Å; P241-V244 WeakPolarHBondContact O-CB 3.39Å; P241-V244 WeakPolarHBondContact O-CG2 3.45Å; P241-V244 PolarHBondContact O-N 3.31Å; S242-V244 VanDerWaalsContact C-N 3.31Å; V244-I248 HydrophobicContact CG1-CB 3.95Å; V244-I248 HydrophobicContact CG1-CG2 4.02Å; V244-F249 HydrophobicContact CG1-CB 4.48Å
245P92.3Very high94.8Very high34 Ų3453.8 Ų53.822%0.22130%0.302CS..  trans-55.3141.8177-2633.6000112.5E120 D247 I248 F249E120-P245 HydrophobicContact CG-CG 4.05Å; E120-P245 VanDerWaalsContact OE2-CG 3.24Å; E120-P245 WeakPolarHBondContact OE2-CG 3.4Å; P245-D247 VanDerWaalsContact CB-OD1 3.3Å; P245-D247 WeakPolarHBondContact CB-OD1 3.48Å; P245-D247 PolarHBondContact O-N 3.25Å; P245-I248 HydrophobicContact CB-CD1 4.43Å; P245-I248 HydrophobicContact CB-CG1 4.2Å; P245-I248 HydrophobicContact CG-CD1 4.13Å; P245-I248 HydrophobicContact CG-CG1 4.43Å; P245-I248 PolarHBondContact O-N 2.95Å; P245-I248 VanDerWaalsContact O-N 3.08Å; P245-F249 PolarHBondContact O-N 3.4Å
246I92.3Very high94.9Very high121 Ų12151.5 Ų51.562%0.62129%0.286SS*.Hα-helixtrans-59.2-32.9-173-172.257.9000113.5F249 N250I246-F249 HydrophobicContact CD1-CD1 4.28Å; I246-F249 WeakPolarHBondContact O-CB 3.35Å; I246-N250 PolarHBondContact O-N 3.25Å; I246-N250 PolarHBondContact O-ND2 2.85Å
247D91.6Very high95Very high51 Ų5153.4 Ų53.427%0.27329%0.292SS..Hα-helixtrans-72.2-39178.666.5-35.5000111.9R124 P245 N250 V251R124-D247 IonicContact CZ-OD1 2.76Å; R124-D247 IonicContact CZ-OD2 2.88Å; R124-D247 IonicContact NH1-OD1 2.84Å; R124-D247 IonicContact NH1-OD2 3.75Å; R124-D247 PolarHBondContact NH1-OD2 3.07Å; R124-D247 VanDerWaalsContact NH2-CG 3.29Å; R124-D247 IonicContact NH2-OD1 2.71Å; R124-D247 PolarHBondContact NH2-OD1 3.03Å; R124-D247 IonicContact NH2-OD2 3.58Å; R124-D247 PolarHBondContact NH2-OD2 3.48Å; P245-D247 VanDerWaalsContact CB-OD1 3.3Å; P245-D247 WeakPolarHBondContact CB-OD1 3.48Å; P245-D247 PolarHBondContact O-N 3.25Å; D247-N250 PolarHBondContact O-N 3.01Å; D247-V251 WeakPolarHBondContact O-CG2 3.3Å; D247-V251 PolarHBondContact O-N 3.37Å
248I94.6Very high95.3Very high1 Ų152.7 Ų52.71%0.00529%0.288CS..Hα-helixtrans-66.4-43.5171.8-53.2-170.3000110.6E120 L211 V215 V244 P245 N250 V251 I252 M274E120-I248 HydrophobicContact CG-CD1 4.1Å; L211-I248 HydrophobicContact CD1-CG2 4.02Å; L211-I248 HydrophobicContact CD2-CG2 4.04Å; L211-I248 HydrophobicContact CG-CG2 4.02Å; V215-I248 HydrophobicContact CG1-CD1 4.24Å; V215-I248 HydrophobicContact CG1-CG2 4.06Å; V244-I248 HydrophobicContact CG1-CB 3.95Å; V244-I248 HydrophobicContact CG1-CG2 4.02Å; P245-I248 HydrophobicContact CB-CD1 4.43Å; P245-I248 HydrophobicContact CB-CG1 4.2Å; P245-I248 HydrophobicContact CG-CD1 4.13Å; P245-I248 HydrophobicContact CG-CG1 4.43Å; P245-I248 PolarHBondContact O-N 2.95Å; P245-I248 VanDerWaalsContact O-N 3.08Å; I248-N250 VanDerWaalsContact C-N 3.3Å; I248-N250 PolarHBondContact O-N 2.85Å; I248-V251 PolarHBondContact O-N 2.9Å; I248-I252 HydrophobicContact CG2-CD1 4Å; I248-I252 HydrophobicContact CG2-CG1 4.37Å; I248-I252 WeakPolarHBondContact O-CG1 3.27Å; I248-I252 PolarHBondContact O-N 3.38Å; I248-M274 HydrophobicContact CB-SD 4.14Å; I248-M274 HydrophobicContact CD1-SD 4.37Å; I248-M274 HydrophobicContact CG1-CG 4.43Å; I248-M274 HydrophobicContact CG1-SD 3.67Å; I248-M274 HydrophobicContact CG2-SD 4.15Å
249F95.5Very high95.4Very high74 Ų7454.1 Ų54.133%0.32530%0.297SS..Hα-helixtrans-51.7-50.6175.2176.3-75.9000110.8I240 V244 P245 I246 V251 I252 I253I240-F249 HydrophobicContact CB-CD2 3.64Å; I240-F249 HydrophobicContact CB-CE2 3.75Å; I240-F249 HydrophobicContact CD1-CB 4.48Å; I240-F249 HydrophobicContact CD1-CD1 4.43Å; I240-F249 HydrophobicContact CD1-CD2 3.52Å; I240-F249 HydrophobicContact CD1-CE2 3.7Å; I240-F249 HydrophobicContact CD1-CG 3.89Å; I240-F249 HydrophobicContact CD1-CZ 4.21Å; I240-F249 HydrophobicContact CG1-CD2 4.13Å; I240-F249 HydrophobicContact CG1-CE2 4.15Å; I240-F249 HydrophobicContact CG2-CD2 3.68Å; I240-F249 HydrophobicContact CG2-CE2 4.31Å; V244-F249 HydrophobicContact CG1-CB 4.48Å; P245-F249 PolarHBondContact O-N 3.4Å; I246-F249 HydrophobicContact CD1-CD1 4.28Å; I246-F249 WeakPolarHBondContact O-CB 3.35Å; F249-V251 PolarHBondContact O-N 2.81Å; F249-I252 PolarHBondContact O-N 3.35Å; F249-I253 HydrophobicContact CD1-CG1 3.99Å; F249-I253 HydrophobicContact CE1-CD1 4.28Å; F249-I253 HydrophobicContact CE1-CG1 3.6Å; F249-I253 HydrophobicContact CZ-CD1 4.26Å; F249-I253 HydrophobicContact CZ-CG1 4.08Å; F249-I253 WeakPolarHBondContact O-CG1 3.48Å; F249-I253 PolarHBondContact O-N 3.09Å
250N94.5Very high95.4Very high74 Ų7451.1 Ų51.140%0.39628%0.275SS..Hα-helixtrans-61.9-42.6-178.8-70.3-24000112I246 D247 I248 I253 E254I246-N250 PolarHBondContact O-N 3.25Å; I246-N250 PolarHBondContact O-ND2 2.85Å; D247-N250 PolarHBondContact O-N 3.01Å; I248-N250 VanDerWaalsContact C-N 3.3Å; I248-N250 PolarHBondContact O-N 2.85Å; N250-I253 PolarHBondContact O-N 3.28Å; N250-E254 WeakPolarHBondContact O-CG 3.37Å; N250-E254 PolarHBondContact O-N 2.96Å
251V96.2Very high95.5Very high1 Ų154.6 Ų54.61%0.00630%0.302CS..Hα-helixtrans-59.4-50.5175.2175.60000110.1L211 D247 I248 F249 I253 E254 L255 H272 M274L211-V251 HydrophobicContact CD2-CB 4.17Å; L211-V251 HydrophobicContact CD2-CG1 3.69Å; D247-V251 WeakPolarHBondContact O-CG2 3.3Å; D247-V251 PolarHBondContact O-N 3.37Å; I248-V251 PolarHBondContact O-N 2.9Å; F249-V251 PolarHBondContact O-N 2.81Å; V251-I253 VanDerWaalsContact C-N 3.3Å; V251-I253 PolarHBondContact O-N 2.93Å; V251-E254 PolarHBondContact O-N 2.81Å; V251-E254 VanDerWaalsContact O-N 3.12Å; V251-L255 HydrophobicContact CG1-CD1 4Å; V251-L255 HydrophobicContact CG1-CD2 4.37Å; V251-L255 HydrophobicContact CG1-CG 3.99Å; V251-L255 VanDerWaalsContact O-CG 3.25Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.48Å; V251-H272 HydrophobicContact CG2-CB 4.13Å; V251-M274 HydrophobicContact CB-CE 4.37Å; V251-M274 HydrophobicContact CG1-CE 4.01Å; V251-M274 HydrophobicContact CG2-CE 4.26Å; V251-M274 HydrophobicContact CG2-SD 4.33Å
252I97.9Very high95.6Very high0 Ų061.1 Ų61.10%032%0.321CS..Hα-helixtrans-54.2-46.6179.1-67.9170000111.2L211 F212 V215 F238 I240 I248 F249 E254 L255 L256L211-I252 HydrophobicContact CB-CG1 4.24Å; L211-I252 HydrophobicContact CD2-CG1 3.68Å; L211-I252 HydrophobicContact CG-CD1 4.2Å; L211-I252 HydrophobicContact CG-CG1 3.77Å; F212-I252 HydrophobicContact CB-CD1 4.31Å; F212-I252 HydrophobicContact CB-CG2 4.41Å; F212-I252 HydrophobicContact CD2-CD1 4.46Å; F212-I252 HydrophobicContact CD2-CG2 4.15Å; V215-I252 HydrophobicContact CG2-CD1 4.05Å; F238-I252 HydrophobicContact CE2-CG2 3.98Å; F238-I252 HydrophobicContact CZ-CG2 4.47Å; I240-I252 HydrophobicContact CD1-CB 3.88Å; I240-I252 HydrophobicContact CD1-CD1 4.46Å; I240-I252 HydrophobicContact CD1-CG2 3.64Å; I240-I252 HydrophobicContact CG1-CG2 4.19Å; I248-I252 HydrophobicContact CG2-CD1 4Å; I248-I252 HydrophobicContact CG2-CG1 4.37Å; I248-I252 WeakPolarHBondContact O-CG1 3.27Å; I248-I252 PolarHBondContact O-N 3.38Å; F249-I252 PolarHBondContact O-N 3.35Å; I252-E254 PolarHBondContact O-N 2.8Å; I252-L255 PolarHBondContact O-N 2.76Å; I252-L256 HydrophobicContact CG2-CD1 3.77Å; I252-L256 HydrophobicContact CG2-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CB 3.45Å; I252-L256 WeakPolarHBondContact O-CG 3.45Å; I252-L256 PolarHBondContact O-N 3.21Å
253I97.3Very high95.9Very high66 Ų6655.7 Ų55.734%0.33828%0.281SS..Hα-helixtrans-60.5-44.8179-66.3-61.6000111.5F238 I240 F249 N250 V251 L256 M257F238-I253 HydrophobicContact CE2-CD1 4.17Å; F238-I253 HydrophobicContact CZ-CD1 3.99Å; I240-I253 HydrophobicContact CD1-CD1 3.74Å; I240-I253 HydrophobicContact CD1-CG1 3.91Å; F249-I253 HydrophobicContact CD1-CG1 3.99Å; F249-I253 HydrophobicContact CE1-CD1 4.28Å; F249-I253 HydrophobicContact CE1-CG1 3.6Å; F249-I253 HydrophobicContact CZ-CD1 4.26Å; F249-I253 HydrophobicContact CZ-CG1 4.08Å; F249-I253 WeakPolarHBondContact O-CG1 3.48Å; F249-I253 PolarHBondContact O-N 3.09Å; N250-I253 PolarHBondContact O-N 3.28Å; V251-I253 VanDerWaalsContact C-N 3.3Å; V251-I253 PolarHBondContact O-N 2.93Å; I253-L256 PolarHBondContact O-N 2.78Å; I253-M257 PolarHBondContact O-N 2.88Å
254E97.3Very high96.2Very high73 Ų7350.2 Ų50.234%0.34126%0.257SS..Hα-helixtrans-63.7-41.1178-71.8179.7-169.200112.5N250 V251 I252 M257 P264 H272N250-E254 WeakPolarHBondContact O-CG 3.37Å; N250-E254 PolarHBondContact O-N 2.96Å; V251-E254 PolarHBondContact O-N 2.81Å; V251-E254 VanDerWaalsContact O-N 3.12Å; I252-E254 PolarHBondContact O-N 2.8Å; E254-M257 WeakPolarHBondContact O-CG 3.31Å; E254-P264 HydrophobicContact CB-CG 4.14Å; E254-P264 VanDerWaalsContact O-CD 3.23Å; E254-P264 WeakPolarHBondContact O-CD 3.15Å; E254-H272 IonicContact OE1-CE1 2.89Å; E254-H272 IonicContact OE1-NE2 2.76Å; E254-H272 IonicContact OE2-CD2 2.66Å; E254-H272 IonicContact OE2-CE1 3.54Å; E254-H272 PolarHBondContact OE2-CE1 2.73Å; E254-H272 IonicContact OE2-NE2 3.73Å; E254-H272 PolarHBondContact OE2-NE2 3.02Å
255L98.6Very high96.4Very high0 Ų053.2 Ų53.20%028%0.276CS..Hα-helixtrans-70.2-33.5-179.2-57.4-161.2000112.2F127 I204 L207 V251 I252 M257 R263 P264 I269F127-L255 HydrophobicContact CZ-CD1 3.97Å; I204-L255 HydrophobicContact CG2-CB 4.39Å; I204-L255 HydrophobicContact CG2-CD2 3.81Å; L207-L255 HydrophobicContact CB-CD1 3.98Å; V251-L255 HydrophobicContact CG1-CD1 4Å; V251-L255 HydrophobicContact CG1-CD2 4.37Å; V251-L255 HydrophobicContact CG1-CG 3.99Å; V251-L255 VanDerWaalsContact O-CG 3.25Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.48Å; I252-L255 PolarHBondContact O-N 2.76Å; L255-M257 VanDerWaalsContact C-N 3.34Å; L255-M257 PolarHBondContact O-N 2.86Å; L255-R263 WeakPolarHBondContact O-CD 3.43Å; L255-P264 HydrophobicContact CD2-CG 3.6Å; L255-I269 HydrophobicContact CD2-CD1 3.33Å; L255-I269 HydrophobicContact CD2-CG1 3.65Å
256L98.5Very high96.6Very high5 Ų551.8 Ų51.83%0.02627%0.266CS..THydrogen-bonded Turntrans-94.825.9-177.7-62.6-178000113.6W205 V209 P220 F221 F238 I252 I253 I258W205-L256 HydrophobicContact CD2-CD2 3.83Å; W205-L256 HydrophobicContact CE3-CD2 4.08Å; W205-L256 HydrophobicContact CG-CD2 4.24Å; W205-L256 HydrophobicContact CZ2-CD2 4.33Å; W205-L256 HydrophobicContact CZ3-CB 4.37Å; W205-L256 HydrophobicContact CZ3-CD2 4.45Å; W205-L256 VanDerWaalsContact CZ3-O 3.31Å; W205-L256 WeakPolarHBondContact CZ3-O 3.26Å; V209-L256 HydrophobicContact CG2-CD2 3.86Å; P220-L256 HydrophobicContact CB-CD1 4.5Å; P220-L256 HydrophobicContact CG-CD1 4.49Å; F221-L256 HydrophobicContact CE2-CD2 4.41Å; F221-L256 HydrophobicContact CZ-CD1 4.38Å; F238-L256 HydrophobicContact CD1-CD1 4.41Å; F238-L256 HydrophobicContact CD2-CD1 4.41Å; F238-L256 HydrophobicContact CE1-CB 3.95Å; F238-L256 HydrophobicContact CE1-CD1 3.87Å; F238-L256 HydrophobicContact CE2-CD1 3.86Å; F238-L256 HydrophobicContact CZ-CB 3.84Å; F238-L256 HydrophobicContact CZ-CD1 3.56Å; F238-L256 HydrophobicContact CZ-CG 4.33Å; I252-L256 HydrophobicContact CG2-CD1 3.77Å; I252-L256 HydrophobicContact CG2-CG 4.41Å; I252-L256 WeakPolarHBondContact O-CB 3.45Å; I252-L256 WeakPolarHBondContact O-CG 3.45Å; I252-L256 PolarHBondContact O-N 3.21Å; I253-L256 PolarHBondContact O-N 2.78Å; L256-I258 PolarHBondContact O-N 3.3Å
257M98.4Very high96.7Very high58 Ų5850 Ų5029%0.28626%0.255SS..  trans-67.1126171-71.4-64.6-72.800111I253 E254 L255 N259 R262 R263I253-M257 PolarHBondContact O-N 2.88Å; E254-M257 WeakPolarHBondContact O-CG 3.31Å; L255-M257 VanDerWaalsContact C-N 3.34Å; L255-M257 PolarHBondContact O-N 2.86Å; M257-N259 VanDerWaalsContact C-N 3.34Å; M257-N259 PolarHBondContact O-N 2.9Å; M257-R262 HydrophobicContact CB-CB 4.28Å; M257-R262 HydrophobicContact CE-CB 3.91Å; M257-R262 HydrophobicContact CE-CG 4.49Å; M257-R262 HydrophobicContact CG-CB 4.5Å; M257-R263 HydrophobicContact CB-CG 3.91Å; M257-R263 PolarHBondContact O-NE 2.87Å; M257-R263 PolarHBondContact O-NH2 3.31Å
258I97.8Very high97Very high74 Ų7452.2 Ų52.238%0.37926%0.264SS..SBendtrans-55.7-49.4179.8-64.8170.8000111.1A236 L256 P260 R263A236-I258 HydrophobicContact CB-CD1 3.83Å; A236-I258 HydrophobicContact CB-CG1 3.47Å; A236-I258 VanDerWaalsContact CB-CG1 3.47Å; L256-I258 PolarHBondContact O-N 3.3Å; I258-P260 VanDerWaalsContact O-CD 3.29Å; I258-P260 WeakPolarHBondContact O-CD 3.41Å; I258-R263 PolarHBondContact O-NH2 2.93Å
259N96.9Very high97Very high73 Ų7352.2 Ų52.239%0.3926%0.264SS..SBendtrans-73.8114.9179-176.7-4.9000110M257 S261 R262M257-N259 VanDerWaalsContact C-N 3.34Å; M257-N259 PolarHBondContact O-N 2.9Å; N259-S261 PolarHBondContact ND2-OG 3.45Å; N259-S261 PolarHBondContact O-N 2.79Å; N259-S261 PolarHBondContact OD1-N 2.94Å; N259-S261 PolarHBondContact OD1-OG 3.44Å; N259-R262 HydrophobicContact CB-CB 4.39Å; N259-R262 HydrophobicContact CB-CG 4.18Å; N259-R262 WeakPolarHBondContact O-CB 3.28Å; N259-R262 PolarHBondContact O-N 3.32Å
260P97.3Very high96.7Very high38 Ų3849.9 Ų49.925%0.24725%0.254CS..G310 helixtrans-60.2-29.7-176.623.4-34000113.3P201 I258 R262 R263P201-P260 HydrophobicContact CB-CB 3.68Å; P201-P260 HydrophobicContact CG-CB 4.3Å; I258-P260 VanDerWaalsContact O-CD 3.29Å; I258-P260 WeakPolarHBondContact O-CD 3.41Å; P260-R262 PolarHBondContact O-N 3.44Å; P260-R263 WeakPolarHBondContact O-CB 3.5Å; P260-R263 PolarHBondContact O-N 2.86Å
261S96Very high96.4Very high96 Ų9655.6 Ų55.667%0.67127%0.27SS*.G310 helixtrans-73.2-11.4177.5650000114.1N259N259-S261 PolarHBondContact ND2-OG 3.45Å; N259-S261 PolarHBondContact O-N 2.79Å; N259-S261 PolarHBondContact OD1-N 2.94Å; N259-S261 PolarHBondContact OD1-OG 3.44Å
262R97.7Very high96Very high176 Ų17657.4 Ų57.466%0.66428%0.278SS*.G310 helixtrans-95.7-9172.5-66.4-171.2174.1-171.3-2113M257 N259 P260M257-R262 HydrophobicContact CB-CB 4.28Å; M257-R262 HydrophobicContact CE-CB 3.91Å; M257-R262 HydrophobicContact CE-CG 4.49Å; M257-R262 HydrophobicContact CG-CB 4.5Å; N259-R262 HydrophobicContact CB-CB 4.39Å; N259-R262 HydrophobicContact CB-CG 4.18Å; N259-R262 WeakPolarHBondContact O-CB 3.28Å; N259-R262 PolarHBondContact O-N 3.32Å; P260-R262 PolarHBondContact O-N 3.44Å
263R98.1Very high95.3Very high14 Ų1462 Ų625%0.05331%0.308CS..SBendtrans-72.6143.3173.1-65.9179.9-157.6141.213.9109.1E190 P201 I204 L255 M257 I258 P260E190-R263 IonicContact OE1-CZ 3.9Å; E190-R263 IonicContact OE1-NH1 2.7Å; E190-R263 PolarHBondContact OE1-NH1 3.04Å; E190-R263 IonicContact OE1-NH2 3.05Å; E190-R263 IonicContact OE2-CZ 3.15Å; E190-R263 IonicContact OE2-NH1 2.81Å; E190-R263 PolarHBondContact OE2-NH1 3.38Å; E190-R263 IonicContact OE2-NH2 3.17Å; E190-R263 PolarHBondContact OE2-NH2 2.91Å; P201-R263 PolarHBondContact O-NH1 3.43Å; I204-R263 HydrophobicContact CG2-CB 4.11Å; L255-R263 WeakPolarHBondContact O-CD 3.43Å; M257-R263 HydrophobicContact CB-CG 3.91Å; M257-R263 PolarHBondContact O-NE 2.87Å; M257-R263 PolarHBondContact O-NH2 3.31Å; I258-R263 PolarHBondContact O-NH2 2.93Å; P260-R263 WeakPolarHBondContact O-CB 3.5Å; P260-R263 PolarHBondContact O-N 2.86Å
264P97.6Very high94.6Very high14 Ų1459 Ų599%0.09129%0.293CS..PPolyproline II helixtrans-66.6147.6173.129.7-34.8000110.1E254 L255 Q268 I269E254-P264 HydrophobicContact CB-CG 4.14Å; E254-P264 VanDerWaalsContact O-CD 3.23Å; E254-P264 WeakPolarHBondContact O-CD 3.15Å; L255-P264 HydrophobicContact CD2-CG 3.6Å; P264-Q268 HydrophobicContact CB-CB 3.86Å; P264-I269 HydrophobicContact CB-CG1 3.96Å; P264-I269 HydrophobicContact CG-CD1 4.15Å; P264-I269 HydrophobicContact CG-CG1 3.66Å
265T97.4Very high93.9Very high74 Ų7455.6 Ų55.645%0.45428%0.277SS..PPolyproline II helixtrans-68.5159.116562.20000110.2H267 Q268 I269T265-H267 PolarHBondContact O-N 3.09Å; T265-H267 VanDerWaalsContact O-N 3.14Å; T265-Q268 WeakPolarHBondContact O-CA 2.93Å; T265-Q268 WeakPolarHBondContact O-CB 3.48Å; T265-Q268 PolarHBondContact O-N 2.95Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.37Å; T265-Q268 PolarHBondContact OG1-N 3.41Å; T265-Q268 PolarHBondContact OG1-OE1 3.19Å; T265-I269 WeakPolarHBondContact O-CG1 3.17Å; T265-I269 PolarHBondContact O-N 2.9Å
266I97.1Very high92.9Very high4 Ų463.9 Ų63.92%0.02131%0.308CS..Hα-helixtrans-54.9-37.1178.3-162.862.9000112.6V131 V134 Q135 H138 I204 L207 Q268 I269 M270V131-I266 HydrophobicContact CG1-CD1 3.86Å; V131-I266 HydrophobicContact CG1-CG1 4.45Å; V134-I266 HydrophobicContact CB-CD1 4.18Å; V134-I266 HydrophobicContact CG1-CD1 4Å; V134-I266 HydrophobicContact CG1-CG1 4.36Å; Q135-I266 HydrophobicContact CB-CG1 3.77Å; Q135-I266 HydrophobicContact CB-CG2 4.29Å; Q135-I266 HydrophobicContact CG-CG1 4.37Å; Q135-I266 HydrophobicContact CG-CG2 4.09Å; H138-I266 HydrophobicContact CB-CG2 4.05Å; I204-I266 HydrophobicContact CD1-CB 4.12Å; I204-I266 HydrophobicContact CD1-CD1 4.01Å; L207-I266 HydrophobicContact CD1-CD1 3.77Å; I266-Q268 VanDerWaalsContact C-N 3.33Å; I266-Q268 PolarHBondContact O-N 2.85Å; I266-I269 HydrophobicContact CD1-CD1 4.2Å; I266-I269 WeakPolarHBondContact O-CB 3.42Å; I266-I269 PolarHBondContact O-N 2.9Å; I266-M270 WeakPolarHBondContact O-CG 3.5Å; I266-M270 PolarHBondContact O-N 2.79Å; I266-M270 VanDerWaalsContact O-N 3.09Å
267H95.6Very high91.5Very high83 Ų8366.9 Ų66.938%0.38434%0.341SS..Hα-helixtrans-64.5-33.1175.2-67.493.3000114D139 T265 R271D139-H267 IonicContact OD1-CE1 2.71Å; D139-H267 PolarHBondContact OD1-CE1 3.11Å; D139-H267 IonicContact OD1-NE2 3.86Å; D139-H267 PolarHBondContact OD1-NE2 3.32Å; D139-H267 IonicContact OD2-NE2 2.89Å; T265-H267 PolarHBondContact O-N 3.09Å; T265-H267 VanDerWaalsContact O-N 3.14Å; H267-R271 WeakPolarHBondContact O-CG 3.46Å
268Q96.2Very high89.9Confident99 Ų9964.7 Ų64.746%0.46333%0.331SS..Hα-helixtrans-73.2-39.4174.2-72.9166.1-50.400110.4P264 T265 I266 M270 R271P264-Q268 HydrophobicContact CB-CB 3.86Å; T265-Q268 WeakPolarHBondContact O-CA 2.93Å; T265-Q268 WeakPolarHBondContact O-CB 3.48Å; T265-Q268 PolarHBondContact O-N 2.95Å; T265-Q268 WeakPolarHBondContact OG1-CG 3.37Å; T265-Q268 PolarHBondContact OG1-N 3.41Å; T265-Q268 PolarHBondContact OG1-OE1 3.19Å; I266-Q268 VanDerWaalsContact C-N 3.33Å; I266-Q268 PolarHBondContact O-N 2.85Å; Q268-M270 VanDerWaalsContact C-N 3.29Å; Q268-M270 PolarHBondContact O-N 3.27Å; Q268-R271 WeakPolarHBondContact O-CB 3.2Å; Q268-R271 PolarHBondContact O-N 3.23Å; Q268-R271 VanDerWaalsContact O-N 3.1Å
269I94.8Very high88.2Confident0 Ų065.5 Ų65.50%033%0.333CS..Hα-helixtrans-59.6-41.6177.6-60.6169.5000111.1V131 I204 L255 P264 T265 I266 R271 H272 I275V131-I269 HydrophobicContact CG1-CG2 4.31Å; V131-I269 HydrophobicContact CG2-CG2 4.26Å; I204-I269 HydrophobicContact CD1-CD1 3.74Å; I204-I269 HydrophobicContact CG1-CD1 4.46Å; I204-I269 HydrophobicContact CG2-CD1 3.87Å; L255-I269 HydrophobicContact CD2-CD1 3.33Å; L255-I269 HydrophobicContact CD2-CG1 3.65Å; P264-I269 HydrophobicContact CB-CG1 3.96Å; P264-I269 HydrophobicContact CG-CD1 4.15Å; P264-I269 HydrophobicContact CG-CG1 3.66Å; T265-I269 WeakPolarHBondContact O-CG1 3.17Å; T265-I269 PolarHBondContact O-N 2.9Å; I266-I269 HydrophobicContact CD1-CD1 4.2Å; I266-I269 WeakPolarHBondContact O-CB 3.42Å; I266-I269 PolarHBondContact O-N 2.9Å; I269-R271 PolarHBondContact O-N 3.14Å; I269-R271 VanDerWaalsContact O-N 3.16Å; I269-H272 VanDerWaalsContact O-CB 3.3Å; I269-H272 WeakPolarHBondContact O-CB 3.36Å; I269-H272 PolarHBondContact O-N 3.23Å; I269-I275 HydrophobicContact CG2-CG1 4.34Å; I269-I275 WeakPolarHBondContact O-CG1 3.42Å
270M89.3Confident86.2Confident25 Ų2566.9 Ų66.912%0.12336%0.355CS..THydrogen-bonded Turntrans-62.2-22.9178.9-70.5-176.781.500114.5V131 H132 Q135 I266 Q268 H272V131-M270 HydrophobicContact CG1-CG 3.67Å; H132-M270 WeakPolarHBondContact CE1-CE 3.49Å; H132-M270 WeakPolarHBondContact NE2-CE 3.35Å; Q135-M270 HydrophobicContact CB-SD 3.98Å; Q135-M270 HydrophobicContact CG-SD 3.61Å; Q135-M270 PolarHBondContact NE2-SD 3.41Å; Q135-M270 PolarHBondContact OE1-SD 3.03Å; I266-M270 WeakPolarHBondContact O-CG 3.5Å; I266-M270 PolarHBondContact O-N 2.79Å; I266-M270 VanDerWaalsContact O-N 3.09Å; Q268-M270 VanDerWaalsContact C-N 3.29Å; Q268-M270 PolarHBondContact O-N 3.27Å; M270-H272 PolarHBondContact O-N 3.11Å
271R89Confident84.3Confident195 Ų19568.3 Ų68.374%0.73636%0.364SS*.THydrogen-bonded Turntrans-77.8-11.4177.3-62.5173.8-176-173.20.1112.3H267 Q268 I269H267-R271 WeakPolarHBondContact O-CG 3.46Å; Q268-R271 WeakPolarHBondContact O-CB 3.2Å; Q268-R271 PolarHBondContact O-N 3.23Å; Q268-R271 VanDerWaalsContact O-N 3.1Å; I269-R271 PolarHBondContact O-N 3.14Å; I269-R271 VanDerWaalsContact O-N 3.16Å
272H87.5Confident82.6Confident39 Ų3966 Ų6618%0.18134%0.344CS..SBendtrans-64.1137.7177.2-83.7-64.3000111V251 E254 I269 M270 M274 I275 R276V251-H272 HydrophobicContact CG2-CB 4.13Å; E254-H272 IonicContact OE1-CE1 2.89Å; E254-H272 IonicContact OE1-NE2 2.76Å; E254-H272 IonicContact OE2-CD2 2.66Å; E254-H272 IonicContact OE2-CE1 3.54Å; E254-H272 PolarHBondContact OE2-CE1 2.73Å; E254-H272 IonicContact OE2-NE2 3.73Å; E254-H272 PolarHBondContact OE2-NE2 3.02Å; I269-H272 VanDerWaalsContact O-CB 3.3Å; I269-H272 WeakPolarHBondContact O-CB 3.36Å; I269-H272 PolarHBondContact O-N 3.23Å; M270-H272 PolarHBondContact O-N 3.11Å; H272-M274 PolarHBondContact O-N 2.65Å; H272-M274 VanDerWaalsContact O-N 3.09Å; H272-I275 HydrophobicContact CB-CG1 4.46Å; H272-I275 PolarHBondContact O-N 2.99Å; H272-R276 PolarHBondContact O-N 3.02Å
273P82.9Confident80.9Confident96 Ų9659 Ų5962%0.62332%0.322SS*.Hα-helixtrans-52.4-35.1178-27.634.8000113.3I275 G277P273-I275 PolarHBondContact O-N 2.77Å; P273-G277 PolarHBondContact O-N 2.85Å
274M83.3Confident78.7Confident3 Ų363.9 Ų63.92%0.01536%0.355CS..Hα-helixtrans-55.6-37.1176.1-178.7-176.289.200113R124 F127 L211 I248 V251 H272R124-M274 HydrophobicContact CG-CG 4.08Å; R124-M274 VanDerWaalsContact NH1-CG 3.34Å; F127-M274 HydrophobicContact CD1-CE 3.34Å; F127-M274 HydrophobicContact CE1-CE 3.54Å; F127-M274 HydrophobicContact CG-CE 4.38Å; L211-M274 HydrophobicContact CD1-CE 4.32Å; L211-M274 HydrophobicContact CD2-CE 3.82Å; L211-M274 HydrophobicContact CD2-SD 4.3Å; I248-M274 HydrophobicContact CB-SD 4.14Å; I248-M274 HydrophobicContact CD1-SD 4.37Å; I248-M274 HydrophobicContact CG1-CG 4.43Å; I248-M274 HydrophobicContact CG1-SD 3.67Å; I248-M274 HydrophobicContact CG2-SD 4.15Å; V251-M274 HydrophobicContact CB-CE 4.37Å; V251-M274 HydrophobicContact CG1-CE 4.01Å; V251-M274 HydrophobicContact CG2-CE 4.26Å; V251-M274 HydrophobicContact CG2-SD 4.33Å; H272-M274 PolarHBondContact O-N 2.65Å; H272-M274 VanDerWaalsContact O-N 3.09Å
275I82.7Confident76.2Confident1 Ų167.2 Ų67.21%0.00538%0.375CS..Hα-helixtrans-89.4-51.6-178.2-51.4-57.6000109.9F127 A128 V131 I269 H272 P273 G277 S278F127-I275 HydrophobicContact CD1-CD1 3.62Å; F127-I275 HydrophobicContact CE1-CD1 3.96Å; A128-I275 HydrophobicContact CB-CD1 4.38Å; A128-I275 HydrophobicContact CB-CG2 4.04Å; V131-I275 HydrophobicContact CG1-CG2 4.33Å; V131-I275 HydrophobicContact CG2-CD1 4.22Å; I269-I275 HydrophobicContact CG2-CG1 4.34Å; I269-I275 WeakPolarHBondContact O-CG1 3.42Å; H272-I275 HydrophobicContact CB-CG1 4.46Å; H272-I275 PolarHBondContact O-N 2.99Å; P273-I275 PolarHBondContact O-N 2.77Å; I275-G277 VanDerWaalsContact C-N 3.3Å; I275-G277 PolarHBondContact O-N 2.77Å; I275-S278 PolarHBondContact O-N 3.36Å; I275-S278 PolarHBondContact O-OG 2.85Å
276R76.7Confident73.7Confident174 Ų17468.1 Ų68.166%0.65739%0.385SS*.Hα-helixtrans-58.5-38.1-175.9-168.2-178.9-179.9-164.4-0.9113.3H272 S278 E279H272-R276 PolarHBondContact O-N 3.02Å; R276-S278 PolarHBondContact O-N 2.79Å; R276-S278 VanDerWaalsContact O-N 3.15Å; R276-E279 PolarHBondContact O-N 2.87Å
277G69Low70.8Confident69 Ų6973.7 Ų73.771%0.71142%0.419SS*.THydrogen-bonded Turntrans-65.3-14.4178.200000114.4P273 I275P273-G277 PolarHBondContact O-N 2.85Å; I275-G277 VanDerWaalsContact C-N 3.3Å; I275-G277 PolarHBondContact O-N 2.77Å
278S65Low67.7Low11 Ų1178.6 Ų78.68%0.07744%0.442CS..THydrogen-bonded Turntrans-103.5-0.7-177.572.10000114.2A128 I275 R276 A280 C281A128-S278 WeakPolarHBondContact CB-OG 3.23Å; I275-S278 PolarHBondContact O-N 3.36Å; I275-S278 PolarHBondContact O-OG 2.85Å; R276-S278 PolarHBondContact O-N 2.79Å; R276-S278 VanDerWaalsContact O-N 3.15Å; S278-A280 PolarHBondContact O-N 2.83Å; S278-C281 WeakPolarHBondContact O-CA 3.43Å; S278-C281 VanDerWaalsContact O-CB 3.31Å; S278-C281 WeakPolarHBondContact O-CB 3.37Å; S278-C281 PolarHBondContact O-N 3.22Å
279E61.1Low64.6Low92 Ų9281.8 Ų81.843%0.4346%0.461SS..G310 helixtrans-57.5-32.6178.8-73.2176-170.300112.4R276 C281 L282R276-E279 PolarHBondContact O-N 2.87Å; E279-C281 PolarHBondContact O-N 3.37Å; E279-C281 VanDerWaalsContact O-N 3.08Å; E279-L282 HydrophobicContact CB-CD1 4.32Å; E279-L282 HydrophobicContact CG-CD1 4.32Å; E279-L282 WeakPolarHBondContact O-CB 3.45Å; E279-L282 WeakPolarHBondContact O-CG 3.26Å; E279-L282 PolarHBondContact O-N 3.25Å; E279-L282 VanDerWaalsContact O-N 3.12Å
280A55.3Low61.4Low102 Ų10286.7 Ų86.784%0.84350%0.495SS*.G310 helixtrans-61.1-16.717400000113.9S278S278-A280 PolarHBondContact O-N 2.83Å
281C57.6Low58.6Low67 Ų6794.3 Ų94.345%0.45353%0.53SS..G310 helixtrans-100.74.6-179.8-66.30000113.5R125 S278 E279R125-C281 HydrophobicContact CG-CB 4.06Å; S278-C281 WeakPolarHBondContact O-CA 3.43Å; S278-C281 VanDerWaalsContact O-CB 3.31Å; S278-C281 WeakPolarHBondContact O-CB 3.37Å; S278-C281 PolarHBondContact O-N 3.22Å; E279-C281 PolarHBondContact O-N 3.37Å; E279-C281 VanDerWaalsContact O-N 3.08Å
282L60.9Low55.8Low48 Ų4889.1 Ų89.125%0.25153%0.53SS..SBendtrans-75.1137.7178.7-64172.5000110.5Q129 H132 E279Q129-L282 HydrophobicContact CG-CD2 3.79Å; H132-L282 VanDerWaalsContact NE2-CD1 3.3Å; H132-L282 WeakPolarHBondContact NE2-CD1 3.33Å; E279-L282 HydrophobicContact CB-CD1 4.32Å; E279-L282 HydrophobicContact CG-CD1 4.32Å; E279-L282 WeakPolarHBondContact O-CB 3.45Å; E279-L282 WeakPolarHBondContact O-CG 3.26Å; E279-L282 PolarHBondContact O-N 3.25Å; E279-L282 VanDerWaalsContact O-N 3.12Å
283P60.9Low53.2Low28 Ų2893.2 Ų93.218%0.18256%0.56CS.*PPolyproline II helixtrans-61.7144.7169.726.9-33.5000109.9P81 T285P81-P283 HydrophobicContact CB-CB 4.29Å; P81-P283 HydrophobicContact CB-CG 3.79Å; P81-P283 HydrophobicContact CG-CG 4.15Å; P283-T285 PolarHBondContact O-N 3.42Å
284P52.2Low50.9Low118 Ų11897.8 Ų97.877%0.76657%0.572SS**PPolyproline II helixtrans-58.4133.3178.223-32000110.6
285T46Very low48.7Very low83 Ų83102.3 Ų102.351%0.50961%0.611SS.*PPolyproline II helixtrans-69133.4173.5-37.20000109.3P283 T287P283-T285 PolarHBondContact O-N 3.42Å; T285-T287 PolarHBondContact O-N 2.95Å
286S43.9Very low46.6Very low93 Ų93108.5 Ų108.565%0.6565%0.648SS**THydrogen-bonded Turntrans-70.119.7-173.8-38.40000115.6Q288S286-Q288 PolarHBondContact O-N 3.21Å
287T36.4Very low44.8Very low122 Ų122104.6 Ų104.675%0.74865%0.653SS**THydrogen-bonded Turntrans-87.25.5-173.5330000115.1T285T285-T287 PolarHBondContact O-N 2.95Å
288Q30.2Very low43.5Very low186 Ų186110 Ų11087%0.86967%0.665SS**  trans-114.266.8171.9-68.6-171.3-2.200111.9S286 S290S286-Q288 PolarHBondContact O-N 3.21Å; Q288-S290 PolarHBondContact O-N 2.99Å
289I31Very low42.1Very low165 Ų165115 Ų11585%0.84670%0.7SS**  trans-82.999.1151.9-60.9-178000106.2
290S29.6Very low41Very low103 Ų103114 Ų11472%0.7271%0.714SS**  trans-42.3140.7172.7-178.70000112.9Q288 A292Q288-S290 PolarHBondContact O-N 2.99Å; S290-A292 PolarHBondContact O-N 2.89Å
291Q29.7Very low40.4Very low185 Ų185119 Ų11986%0.86474%0.738SS**  trans-41.7125.7164.8-65.3172.2-17.400110.7
292A29.9Very low39.6Very low87 Ų87121.6 Ų121.672%0.71975%0.753SS**  trans-63.5139.1171.300000109.6S290 Q294S290-A292 PolarHBondContact O-N 2.89Å; A292-Q294 PolarHBondContact O-N 3.26Å
293P33Very low38.5Very low125 Ų125125.5 Ų125.581%0.81278%0.779SS**  trans-61.8122.3172.5-15.328.4000109A295P293-A295 PolarHBondContact O-N 2.67Å
294Q35.8Very low37.2Very low191 Ų191130.9 Ų130.989%0.89381%0.812SS**  trans-59.7108.5168.9-77.6176.9-10.500108.2A292 T296A292-Q294 PolarHBondContact O-N 3.26Å; Q294-T296 PolarHBondContact O-N 3.15Å
295A36.6Very low36.3Very low99 Ų99131.6 Ų131.682%0.81882%0.815SS**  trans-65.4106.1167.300000107.6P293 A297P293-A295 PolarHBondContact O-N 2.67Å; A295-A297 PolarHBondContact O-N 2.88Å
296T37.3Very low35.7Very low130 Ų130134.7 Ų134.780%0.79883%0.834SS**  trans-49.5119.6170.734.10000110.1Q294 L298Q294-T296 PolarHBondContact O-N 3.15Å; T296-L298 PolarHBondContact O-N 3.16Å; T296-L298 VanDerWaalsContact O-N 3.15Å
297A39.2Very low35.2Very low92 Ų92137.5 Ų137.576%0.7685%0.846SS**  trans-56.9116.3170.700000109.2A295 S299A295-A297 PolarHBondContact O-N 2.88Å; A297-S299 VanDerWaalsContact C-N 3.32Å; A297-S299 PolarHBondContact O-N 3.29Å
298L41.3Very low35.1Very low182 Ų182138.6 Ų138.695%0.95385%0.853SS**  trans-67.595.1164.8-85.4152.2000107.6T296T296-L298 PolarHBondContact O-N 3.16Å; T296-L298 VanDerWaalsContact O-N 3.15Å
299S37.4Very low35.5Very low118 Ų118134.9 Ų134.983%0.82585%0.852SS**  trans-84.6119.1165.452.60000109.4A297A297-S299 VanDerWaalsContact C-N 3.32Å; A297-S299 PolarHBondContact O-N 3.29Å
300G37.5Very low35.9Very low70 Ų70132.4 Ų132.472%0.72285%0.852SS**  trans147.7144153.200000114.9
301P43.3Very low36.4Very low207 Ų207135.1 Ų135.1100%1.34486%0.864SS**  cis-99.60-33.736.8-25000112.8

Retrieved 301 of 301 residues in 488.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).