A0A3B3TX99_9TELE Loading...

Large ribosomal subunit protein bL17m

AlphaFold DB , UniProt , Accession A0A3B3TX99, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 167 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low61.1Low231 Ų231145.2 Ų145.2100%1.13872%0.721SS**  01140-69.7170.775.900108.5L3M1-L3 PolarHBondContact O-N 3.4Å
2R42.6Very low63.2Low246 Ų246139.8 Ų139.893%0.92873%0.731SS**  trans-74.3111.1176.9-76.7-175.1175.2-169.5-1.4109T4R2-T4 PolarHBondContact O-N 3.34Å
3L51Low65.1Low149 Ų149138.2 Ų138.278%0.7871%0.709SS**  trans-74.6100.8170.5-70.3163.6000107.7M1 M7M1-L3 PolarHBondContact O-N 3.4Å; L3-M7 HydrophobicContact CD2-SD 4.09Å
4T55Low66.7Low89 Ų89138.5 Ų138.555%0.54672%0.72SS.*  trans-75.6146.5173.450.70000110.3R2 Q6 M7R2-T4 PolarHBondContact O-N 3.34Å; T4-Q6 PolarHBondContact O-N 3.43Å; T4-M7 WeakPolarHBondContact O-CB 3.45Å; T4-M7 PolarHBondContact O-N 3.16Å
5L55.3Low68.3Low147 Ų147133.1 Ų133.177%0.7770%0.704SS**G310 helixtrans-52.3-28.9-179.8-124.198.8000113M7 L8L5-M7 PolarHBondContact O-N 3.11Å; L5-L8 WeakPolarHBondContact O-CB 3.25Å; L5-L8 PolarHBondContact O-N 3.08Å
6Q55.1Low69.8Low161 Ų161131.4 Ų131.475%0.75269%0.685SS**G310 helixtrans-65.7-20.9178.1-146.4147.2100113.3T4 L8 R13T4-Q6 PolarHBondContact O-N 3.43Å; Q6-L8 VanDerWaalsContact C-N 3.27Å; Q6-L8 PolarHBondContact O-N 3.44Å; Q6-R13 PolarHBondContact O-NH2 3.4Å
7M55.9Low71Confident87 Ų87135 Ų13543%0.42969%0.687SS.*G310 helixtrans-70.7-18.6170.2-92.3-153.9179.100113.7L3 T4 L5 R13L3-M7 HydrophobicContact CD2-SD 4.09Å; T4-M7 WeakPolarHBondContact O-CB 3.45Å; T4-M7 PolarHBondContact O-N 3.16Å; L5-M7 PolarHBondContact O-N 3.11Å; M7-R13 VanDerWaalsContact C-NH2 3.28Å; M7-R13 VanDerWaalsContact O-CZ 3.28Å; M7-R13 PolarHBondContact O-NH1 3.36Å; M7-R13 PolarHBondContact O-NH2 3.24Å
8L61.3Low72.2Confident144 Ų144128.9 Ų128.975%0.75466%0.656SS**THydrogen-bonded Turntrans-87.2-21.8-178.5-72160.8000113.3L5 Q6L5-L8 WeakPolarHBondContact O-CB 3.25Å; L5-L8 PolarHBondContact O-N 3.08Å; Q6-L8 VanDerWaalsContact C-N 3.27Å; Q6-L8 PolarHBondContact O-N 3.44Å
9I81.3Confident73.3Confident90 Ų90125.1 Ų125.146%0.46265%0.652SS.*  trans-81.2124.6-177.2-56.6172.3000109.7H11 R13I9-H11 HydrophobicContact CG2-CB 4.41Å; I9-H11 WeakPolarHBondContact CG2-ND1 3.29Å; I9-R13 VanDerWaalsContact O-CZ 3.22Å; I9-R13 PolarHBondContact O-NE 3.19Å; I9-R13 PolarHBondContact O-NH2 2.97Å
10S82.3Confident74.3Confident86 Ų86127.6 Ų127.660%0.60167%0.665SS**  trans-100.24.5-171.557.40000115.3G12 R13S10-G12 PolarHBondContact O-N 2.84Å; S10-R13 PolarHBondContact O-N 3.19Å
11H86.3Confident75.3Confident167 Ų167122.9 Ų122.977%0.77365%0.648SS**THydrogen-bonded Turntrans-57.7125.1178.3-61.8100.5000111.2I9 R13I9-H11 HydrophobicContact CG2-CB 4.41Å; I9-H11 WeakPolarHBondContact CG2-ND1 3.29Å; H11-R13 VanDerWaalsContact C-N 3.34Å; H11-R13 PolarHBondContact O-N 3.21Å
12G86.9Confident77.6Confident81 Ų81117.3 Ų117.384%0.83563%0.629SS**THydrogen-bonded Turntrans75.29.8177.200000116.2S10S10-G12 PolarHBondContact O-N 2.84Å
13R87.1Confident80.1Confident119 Ų119112.7 Ų112.745%0.44962%0.618SS.*  trans-80.8121.7178.7-68.8-168.9179.3168.62.4112.2Q6 M7 I9 S10 H11Q6-R13 PolarHBondContact O-NH2 3.4Å; M7-R13 VanDerWaalsContact C-NH2 3.28Å; M7-R13 VanDerWaalsContact O-CZ 3.28Å; M7-R13 PolarHBondContact O-NH1 3.36Å; M7-R13 PolarHBondContact O-NH2 3.24Å; I9-R13 VanDerWaalsContact O-CZ 3.22Å; I9-R13 PolarHBondContact O-NE 3.19Å; I9-R13 PolarHBondContact O-NH2 2.97Å; S10-R13 PolarHBondContact O-N 3.19Å; H11-R13 VanDerWaalsContact C-N 3.34Å; H11-R13 PolarHBondContact O-N 3.21Å
14V88.6Confident82.3Confident142 Ų142107.8 Ų107.886%0.86160%0.596SS**  trans-95.7-30.5-179.9-630000113.8
15A89.6Confident84.3Confident58 Ų58104.8 Ų104.848%0.47958%0.575SS.*SBendtrans-91.8133.1-178.100000111.1
16R92.3Very high86.3Confident105 Ų105100 Ų10040%0.39655%0.549SS..  trans-82.8148.8177.1-50.7177.8-171.9-138.95.7110I18 R25 D50 E51R16-I18 HydrophobicContact CB-CG2 4.46Å; R16-I18 PolarHBondContact O-N 3.18Å; R16-R25 VanDerWaalsContact O-CD 3.22Å; R16-R25 WeakPolarHBondContact O-CD 3.31Å; R16-R25 PolarHBondContact O-NE 3.43Å; R16-D50 IonicContact CZ-OD2 3.64Å; R16-D50 IonicContact NE-OD2 3.96Å; R16-D50 IonicContact NH2-OD2 2.69Å; R16-D50 PolarHBondContact NH2-OD2 3.08Å; R16-E51 WeakPolarHBondContact CA-OE1 3.3Å; R16-E51 WeakPolarHBondContact CB-OE1 3.36Å; R16-E51 HydrophobicContact CG-CG 4.26Å; R16-E51 VanDerWaalsContact CG-OE1 3.25Å; R16-E51 WeakPolarHBondContact CG-OE1 3.43Å; R16-E51 PolarHBondContact N-OE1 2.7Å
17R91.7Very high88.3Confident193 Ų19395 Ų9573%0.72853%0.528SS*.  trans-87.6106172.3-72.1178.2153.2-173.9-7.4108.8
18I92.2Very high90.3Very high26 Ų2692.4 Ų92.413%0.13352%0.515CS..  trans-133.1144.1178.755.3-174.5000109.9R16 R25 M28 L29 V47 E51R16-I18 HydrophobicContact CB-CG2 4.46Å; R16-I18 PolarHBondContact O-N 3.18Å; I18-R25 HydrophobicContact CD1-CG 4.17Å; I18-R25 HydrophobicContact CG1-CB 4.21Å; I18-R25 HydrophobicContact CG1-CG 3.62Å; I18-R25 WeakPolarHBondContact O-CB 3.43Å; I18-M28 HydrophobicContact CB-CE 3.89Å; I18-M28 HydrophobicContact CD1-CE 3.28Å; I18-M28 HydrophobicContact CG1-CE 3.49Å; I18-M28 VanDerWaalsContact CG1-CE 3.49Å; I18-L29 HydrophobicContact CD1-CD2 4.3Å; I18-V47 HydrophobicContact CG2-CG1 4.23Å; I18-E51 WeakPolarHBondContact CD1-OE2 3.34Å
19G92.4Very high92.1Very high56 Ų5685.6 Ų85.658%0.57748%0.479SS*.SBendtrans79.4-162.8-173.600000113.1
20L94Very high92.9Very high174 Ų17483.6 Ų83.691%0.91147%0.466SS*.SBendtrans-85.8-8.4-173.8-61.3173.3000113.6S24L20-S24 PolarHBondContact N-OG 3.06Å
21G94.3Very high93.6Very high29 Ų2984.2 Ų84.230%0.29946%0.462SS..SBendtrans169.2-178.7-176.800000112.3E23 S24 R25G21-E23 VanDerWaalsContact C-N 3.34Å; G21-E23 PolarHBondContact O-N 2.97Å; G21-S24 PolarHBondContact O-N 2.98Å; G21-R25 WeakPolarHBondContact O-CB 3.3Å; G21-R25 PolarHBondContact O-N 3.15Å
22P94.3Very high94.2Very high114 Ų11477.4 Ų77.474%0.7443%0.432SS*.Hα-helixtrans-59.5-40.5-177.8-24.834.9000113.8R25 I26P22-R25 WeakPolarHBondContact O-CB 3.3Å; P22-R25 PolarHBondContact O-N 2.95Å; P22-I26 WeakPolarHBondContact O-CG1 3.26Å; P22-I26 PolarHBondContact O-N 3.49Å; P22-I26 VanDerWaalsContact O-N 3.13Å
23E95.8Very high94.8Very high150 Ų15073.6 Ų73.670%0.70139%0.392SS*.Hα-helixtrans-68.9-47.8178.9-174.7179-178.700111.7G21 R25 I26 N27G21-E23 VanDerWaalsContact C-N 3.34Å; G21-E23 PolarHBondContact O-N 2.97Å; E23-R25 PolarHBondContact O-N 3.37Å; E23-I26 PolarHBondContact O-N 2.86Å; E23-I26 VanDerWaalsContact O-N 3.09Å; E23-N27 PolarHBondContact O-N 3.35Å
24S97.4Very high95.3Very high45 Ų4568.1 Ų68.132%0.31537%0.372SS..Hα-helixtrans-56-40.4174.51750000111.7L20 G21 N27 M28L20-S24 PolarHBondContact N-OG 3.06Å; G21-S24 PolarHBondContact O-N 2.98Å; S24-N27 PolarHBondContact O-N 2.8Å; S24-M28 WeakPolarHBondContact O-CB 3.43Å; S24-M28 PolarHBondContact O-N 3.27Å
25R96.4Very high95.8Very high27 Ų2762.2 Ų62.210%0.10234%0.34CS..Hα-helixtrans-57.4-53.4173174.1172.7179-80.86111.5R16 I18 G21 P22 E23 N27 M28 L29 E51 Y55R16-R25 VanDerWaalsContact O-CD 3.22Å; R16-R25 WeakPolarHBondContact O-CD 3.31Å; R16-R25 PolarHBondContact O-NE 3.43Å; I18-R25 HydrophobicContact CD1-CG 4.17Å; I18-R25 HydrophobicContact CG1-CB 4.21Å; I18-R25 HydrophobicContact CG1-CG 3.62Å; I18-R25 WeakPolarHBondContact O-CB 3.43Å; G21-R25 WeakPolarHBondContact O-CB 3.3Å; G21-R25 PolarHBondContact O-N 3.15Å; P22-R25 WeakPolarHBondContact O-CB 3.3Å; P22-R25 PolarHBondContact O-N 2.95Å; E23-R25 PolarHBondContact O-N 3.37Å; R25-N27 VanDerWaalsContact C-N 3.35Å; R25-N27 PolarHBondContact O-N 3.25Å; R25-M28 PolarHBondContact O-N 3.17Å; R25-L29 HydrophobicContact CG-CD1 3.93Å; R25-L29 HydrophobicContact CG-CG 4.45Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.39Å; R25-L29 PolarHBondContact O-N 3.25Å; R25-E51 IonicContact CZ-OE1 3.12Å; R25-E51 IonicContact CZ-OE2 3.19Å; R25-E51 IonicContact NE-OE1 3.62Å; R25-E51 IonicContact NE-OE2 2.89Å; R25-E51 PolarHBondContact NE-OE2 2.74Å; R25-E51 IonicContact NH2-OE1 2.84Å; R25-E51 PolarHBondContact NH2-OE1 3.23Å; R25-E51 IonicContact NH2-OE2 2.8Å; R25-E51 PolarHBondContact NH2-OE2 3.44Å; R25-Y55 PolarHBondContact NH1-OH 3.31Å; R25-Y55 VanDerWaalsContact NH1-OH 3.17Å
26I97.1Very high96.2Very high45 Ų4559.4 Ų59.423%0.23132%0.317CS..Hα-helixtrans-62-44-177.3-66.8-63.2000110.9P22 E23 M28 L29 R30 F78 W79P22-I26 WeakPolarHBondContact O-CG1 3.26Å; P22-I26 PolarHBondContact O-N 3.49Å; P22-I26 VanDerWaalsContact O-N 3.13Å; E23-I26 PolarHBondContact O-N 2.86Å; E23-I26 VanDerWaalsContact O-N 3.09Å; I26-M28 PolarHBondContact O-N 3.06Å; I26-L29 PolarHBondContact O-N 2.82Å; I26-R30 HydrophobicContact CG2-CG 4.31Å; I26-R30 VanDerWaalsContact O-CG 3.26Å; I26-R30 WeakPolarHBondContact O-CG 3.48Å; I26-R30 PolarHBondContact O-N 3.31Å; I26-F78 HydrophobicContact CG2-CE1 4.2Å; I26-F78 HydrophobicContact CG2-CZ 3.97Å; I26-W79 HydrophobicContact CD1-CH2 4.37Å
27N97.9Very high96.5Very high58 Ų5854.4 Ų54.431%0.3130%0.298SS..Hα-helixtrans-62.8-40.6177.8-71.2-25.9000112.4E23 S24 R25 R30 N31E23-N27 PolarHBondContact O-N 3.35Å; S24-N27 PolarHBondContact O-N 2.8Å; R25-N27 VanDerWaalsContact C-N 3.35Å; R25-N27 PolarHBondContact O-N 3.25Å; N27-R30 PolarHBondContact O-N 3.15Å; N27-R30 PolarHBondContact OD1-NH1 3.48Å; N27-R30 VanDerWaalsContact OD1-NH1 3.1Å; N27-N31 VanDerWaalsContact O-CG 3.28Å; N27-N31 PolarHBondContact O-N 3.24Å; N27-N31 PolarHBondContact O-OD1 3.15Å
28M98Very high96.8Very high31 Ų3149.8 Ų49.815%0.15328%0.28CS..Hα-helixtrans-62.4-44.5174-178.6-177.765.600111.9I18 S24 R25 I26 R30 N31 I32 R48I18-M28 HydrophobicContact CB-CE 3.89Å; I18-M28 HydrophobicContact CD1-CE 3.28Å; I18-M28 HydrophobicContact CG1-CE 3.49Å; I18-M28 VanDerWaalsContact CG1-CE 3.49Å; S24-M28 WeakPolarHBondContact O-CB 3.43Å; S24-M28 PolarHBondContact O-N 3.27Å; R25-M28 PolarHBondContact O-N 3.17Å; I26-M28 PolarHBondContact O-N 3.06Å; M28-R30 VanDerWaalsContact C-N 3.34Å; M28-R30 PolarHBondContact O-N 3.44Å; M28-N31 PolarHBondContact O-N 3.29Å; M28-I32 HydrophobicContact CG-CD1 4.1Å; M28-I32 WeakPolarHBondContact O-CG1 3.35Å; M28-I32 PolarHBondContact O-N 2.78Å; M28-I32 VanDerWaalsContact O-N 3.12Å; M28-R48 HydrophobicContact CE-CG 4.1Å; M28-R48 HydrophobicContact SD-CG 4.47Å; M28-R48 PolarHBondContact SD-NE 3.19Å; M28-R48 VanDerWaalsContact SD-NE 3.37Å
29L97.9Very high97.1Very high1 Ų153.6 Ų53.61%0.00530%0.297CS..Hα-helixtrans-64.4-39.2178.3-67172.6000111.8I18 R25 I26 I32 L33 E51 V52 Y55 W79I18-L29 HydrophobicContact CD1-CD2 4.3Å; R25-L29 HydrophobicContact CG-CD1 3.93Å; R25-L29 HydrophobicContact CG-CG 4.45Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.39Å; R25-L29 PolarHBondContact O-N 3.25Å; I26-L29 PolarHBondContact O-N 2.82Å; L29-I32 PolarHBondContact O-N 2.93Å; L29-L33 VanDerWaalsContact O-CB 3.25Å; L29-L33 WeakPolarHBondContact O-CB 3.46Å; L29-L33 PolarHBondContact O-N 3.1Å; L29-E51 HydrophobicContact CD2-CB 3.9Å; L29-V52 HydrophobicContact CD2-CG2 3.46Å; L29-V52 VanDerWaalsContact CD2-CG2 3.46Å; L29-Y55 HydrophobicContact CD1-CD2 4.12Å; L29-Y55 HydrophobicContact CD1-CE2 3.6Å; L29-W79 HydrophobicContact CB-CZ3 4.42Å
30R98.1Very high97.3Very high48 Ų4851.7 Ų51.718%0.18127%0.273CS..Hα-helixtrans-57.9-48.4173.4-72.1169.569.1-153.43.6111.1I26 N27 M28 I32 L33 T34 F78 W79 T81I26-R30 HydrophobicContact CG2-CG 4.31Å; I26-R30 VanDerWaalsContact O-CG 3.26Å; I26-R30 WeakPolarHBondContact O-CG 3.48Å; I26-R30 PolarHBondContact O-N 3.31Å; N27-R30 PolarHBondContact O-N 3.15Å; N27-R30 PolarHBondContact OD1-NH1 3.48Å; N27-R30 VanDerWaalsContact OD1-NH1 3.1Å; M28-R30 VanDerWaalsContact C-N 3.34Å; M28-R30 PolarHBondContact O-N 3.44Å; R30-I32 VanDerWaalsContact C-N 3.35Å; R30-I32 PolarHBondContact O-N 3.1Å; R30-L33 PolarHBondContact O-N 3.34Å; R30-T34 PolarHBondContact O-N 3.06Å; R30-T34 PolarHBondContact O-OG1 2.92Å; R30-F78 PolarHBondContact NE-O 2.8Å; R30-F78 PolarHBondContact NH2-O 3.48Å; R30-W79 HydrophobicContact CB-CE3 4.48Å; R30-W79 HydrophobicContact CG-CD2 4.43Å; R30-W79 HydrophobicContact CG-CE3 3.52Å; R30-W79 HydrophobicContact CG-CZ3 3.78Å; R30-T81 HydrophobicContact CB-CG2 4.49Å
31N98.2Very high97.5Very high99 Ų9946 Ų4653%0.52924%0.24SC..Hα-helixtrans-60.5-43.6179.2-67.1-11.7000112.4N27 M28 G35N27-N31 VanDerWaalsContact O-CG 3.28Å; N27-N31 PolarHBondContact O-N 3.24Å; N27-N31 PolarHBondContact O-OD1 3.15Å; M28-N31 PolarHBondContact O-N 3.29Å; N31-G35 PolarHBondContact O-N 2.91Å
32I98.3Very high97.7Very high25 Ų2545.8 Ų45.813%0.12823%0.231CC..Hα-helixtrans-67.8-39.3178.7-60.3169.1000110.7M28 L29 R30 G35 L36 I42 R48 V52M28-I32 HydrophobicContact CG-CD1 4.1Å; M28-I32 WeakPolarHBondContact O-CG1 3.35Å; M28-I32 PolarHBondContact O-N 2.78Å; M28-I32 VanDerWaalsContact O-N 3.12Å; L29-I32 PolarHBondContact O-N 2.93Å; R30-I32 VanDerWaalsContact C-N 3.35Å; R30-I32 PolarHBondContact O-N 3.1Å; I32-G35 PolarHBondContact O-N 3.24Å; I32-L36 PolarHBondContact O-N 2.84Å; I32-I42 HydrophobicContact CG2-CD1 3.25Å; I32-R48 HydrophobicContact CD1-CB 3.94Å; I32-R48 HydrophobicContact CD1-CG 4.37Å; I32-V52 HydrophobicContact CB-CG2 3.82Å; I32-V52 HydrophobicContact CD1-CG2 4.24Å; I32-V52 HydrophobicContact CG2-CB 4.34Å; I32-V52 HydrophobicContact CG2-CG1 4.13Å; I32-V52 HydrophobicContact CG2-CG2 3.7Å
33L98.4Very high97.8Very high0 Ų046.9 Ų46.90%023%0.227CC..Hα-helixtrans-66.5-42.7177.7-17758.9000112.1L29 R30 G35 L36 V37 V52 A56 L59 W79L29-L33 VanDerWaalsContact O-CB 3.25Å; L29-L33 WeakPolarHBondContact O-CB 3.46Å; L29-L33 PolarHBondContact O-N 3.1Å; R30-L33 PolarHBondContact O-N 3.34Å; L33-G35 VanDerWaalsContact C-N 3.32Å; L33-G35 PolarHBondContact O-N 2.9Å; L33-L36 HydrophobicContact CD1-CD2 4.38Å; L33-L36 WeakPolarHBondContact O-CB 3.49Å; L33-L36 PolarHBondContact O-N 3.32Å; L33-V37 PolarHBondContact O-N 2.99Å; L33-V52 HydrophobicContact CB-CG1 4.36Å; L33-V52 HydrophobicContact CD1-CG1 4.34Å; L33-A56 HydrophobicContact CD1-CB 3.63Å; L33-L59 HydrophobicContact CD1-CD2 4.23Å; L33-L59 HydrophobicContact CD2-CD2 3.91Å; L33-L59 HydrophobicContact CG-CD2 4.08Å; L33-W79 HydrophobicContact CD2-CB 4.07Å; L33-W79 HydrophobicContact CD2-CD2 4.09Å; L33-W79 HydrophobicContact CD2-CE3 3.74Å; L33-W79 HydrophobicContact CD2-CG 4.24Å
34T98.6Very high97.9Very high4 Ų440.5 Ų40.53%0.02520%0.198CC..Hα-helixtrans-56.3-48.4171-58.30000110.3R30 L36 V37 R38 T81 E82 L85R30-T34 PolarHBondContact O-N 3.06Å; R30-T34 PolarHBondContact O-OG1 2.92Å; T34-L36 VanDerWaalsContact C-N 3.31Å; T34-L36 PolarHBondContact O-N 3.47Å; T34-V37 PolarHBondContact O-N 2.91Å; T34-R38 PolarHBondContact O-N 2.81Å; T34-T81 WeakPolarHBondContact CG2-OG1 3.43Å; T34-T81 PolarHBondContact OG1-N 2.88Å; T34-T81 PolarHBondContact OG1-OG1 3.2Å; T34-E82 HydrophobicContact CG2-CB 3.84Å; T34-E82 HydrophobicContact CG2-CG 3.7Å; T34-E82 WeakPolarHBondContact CG2-OE2 3.19Å; T34-L85 HydrophobicContact CG2-CD1 3.59Å
35G98.4Very high97.8Very high18 Ų1839.5 Ų39.519%0.18619%0.19CC..Hα-helixtrans-59.3-40176.300000113.1N31 I32 L33 R38 H39N31-G35 PolarHBondContact O-N 2.91Å; I32-G35 PolarHBondContact O-N 3.24Å; L33-G35 VanDerWaalsContact C-N 3.32Å; L33-G35 PolarHBondContact O-N 2.9Å; G35-R38 PolarHBondContact O-N 2.95Å; G35-H39 PolarHBondContact O-CD2 3.18Å; G35-H39 PolarHBondContact O-N 2.88Å
36L98.4Very high97.9Very high0 Ų043.1 Ų43.10%020%0.204CC..Hα-helixtrans-64.3-42.7175.3179.167.7000111.9I32 L33 T34 E40 I42 V52 A56 L124 Y126I32-L36 PolarHBondContact O-N 2.84Å; L33-L36 HydrophobicContact CD1-CD2 4.38Å; L33-L36 WeakPolarHBondContact O-CB 3.49Å; L33-L36 PolarHBondContact O-N 3.32Å; T34-L36 VanDerWaalsContact C-N 3.31Å; T34-L36 PolarHBondContact O-N 3.47Å; L36-E40 WeakPolarHBondContact O-CA 3.22Å; L36-E40 PolarHBondContact O-N 3.48Å; L36-I42 HydrophobicContact CB-CD1 4.06Å; L36-I42 HydrophobicContact CB-CG1 4.33Å; L36-I42 HydrophobicContact CB-CG2 4.49Å; L36-I42 HydrophobicContact CD1-CD1 4.47Å; L36-I42 HydrophobicContact CD1-CG1 3.97Å; L36-V52 HydrophobicContact CD2-CG1 4.49Å; L36-A56 HydrophobicContact CD2-CB 3.71Å; L36-L124 HydrophobicContact CD1-CD2 4.47Å; L36-L124 HydrophobicContact CD1-CG 4.15Å; L36-L124 WeakPolarHBondContact CD1-O 3.49Å; L36-L124 HydrophobicContact CD2-CD2 3.77Å; L36-L124 HydrophobicContact CD2-CG 4.14Å; L36-Y126 HydrophobicContact CD1-CD2 4.39Å; L36-Y126 HydrophobicContact CD1-CE2 4.48Å; L36-Y126 HydrophobicContact CD2-CE2 3.98Å; L36-Y126 HydrophobicContact CG-CD2 4.08Å; L36-Y126 HydrophobicContact CG-CE2 3.7Å
37V98.3Very high97.8Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-68-38.3177.6172.40000111.3L33 T34 L59 L80 L85 K88 L93 Y126L33-V37 PolarHBondContact O-N 2.99Å; T34-V37 PolarHBondContact O-N 2.91Å; V37-L59 HydrophobicContact CG2-CD2 4.24Å; V37-L80 HydrophobicContact CB-CD2 4.07Å; V37-L80 HydrophobicContact CG1-CD2 4.33Å; V37-L80 HydrophobicContact CG2-CD2 3.95Å; V37-L85 HydrophobicContact CB-CD1 4.44Å; V37-L85 HydrophobicContact CG1-CB 4.07Å; V37-L85 HydrophobicContact CG1-CD1 4.33Å; V37-K88 WeakPolarHBondContact O-CE 3.46Å; V37-K88 PolarHBondContact O-NZ 2.97Å; V37-L93 HydrophobicContact CG1-CD1 4Å; V37-L93 HydrophobicContact CG2-CD1 4.41Å; V37-Y126 HydrophobicContact CG2-CE2 4.09Å
38R98.2Very high97.8Very high96 Ų9645.9 Ų45.936%0.36221%0.213SC..Hα-helixtrans-64.6-56.9176.8179171.5-87.7171.5-1.8111.7T34 G35 E82 D84 L85 K88T34-R38 PolarHBondContact O-N 2.81Å; G35-R38 PolarHBondContact O-N 2.95Å; R38-E82 IonicContact CZ-OE1 2.78Å; R38-E82 IonicContact CZ-OE2 3.78Å; R38-E82 IonicContact NE-OE2 2.77Å; R38-E82 PolarHBondContact NE-OE2 2.82Å; R38-E82 IonicContact NH1-OE1 3.18Å; R38-E82 PolarHBondContact NH1-OE1 2.92Å; R38-E82 IonicContact NH1-OE2 3.1Å; R38-E82 PolarHBondContact NH1-OE2 2.92Å; R38-E82 VanDerWaalsContact NH1-OE2 3.12Å; R38-E82 IonicContact NH2-OE1 3.49Å; R38-E82 PolarHBondContact NH2-OE1 3.43Å; R38-E82 IonicContact NH2-OE2 2.95Å; R38-E82 PolarHBondContact NH2-OE2 3.47Å; R38-D84 IonicContact NH2-OD2 3.15Å; R38-D84 PolarHBondContact NH2-OD2 3.32Å; R38-L85 HydrophobicContact CB-CD1 3.9Å; R38-L85 HydrophobicContact CB-CD2 4.05Å; R38-L85 HydrophobicContact CG-CD2 4.42Å; R38-K88 PolarHBondContact O-NZ 3.44Å
39H97.9Very high97.8Very high106 Ų10644.4 Ų44.449%0.49121%0.206SC..Hα-helixtrans-95.6-9.7-168.9-60.2-68.3000114.2G35 R41 F131G35-H39 PolarHBondContact O-CD2 3.18Å; G35-H39 PolarHBondContact O-N 2.88Å; H39-R41 PolarHBondContact O-N 3.44Å; H39-F131 WeakPolarHBondContact O-CE2 3.31Å
40E97.8Very high97.8Very high15 Ų1547.2 Ų47.27%0.0722%0.221CC..SBendtrans59-9.9-176.9-56.1-171.3-172.600116.3L36 K88 R96 E125 Y126 N129 F131L36-E40 WeakPolarHBondContact O-CA 3.22Å; L36-E40 PolarHBondContact O-N 3.48Å; E40-K88 VanDerWaalsContact OE1-CE 3.3Å; E40-K88 WeakPolarHBondContact OE1-CE 3.35Å; E40-K88 IonicContact OE1-NZ 3.96Å; E40-K88 PolarHBondContact OE1-NZ 2.88Å; E40-R96 IonicContact OE1-CZ 3.06Å; E40-R96 IonicContact OE1-NH1 3.15Å; E40-R96 IonicContact OE1-NH2 3.92Å; E40-R96 PolarHBondContact OE1-NH2 3.32Å; E40-R96 VanDerWaalsContact OE1-NH2 3.15Å; E40-R96 IonicContact OE2-CZ 2.86Å; E40-R96 IonicContact OE2-NH1 3.29Å; E40-R96 PolarHBondContact OE2-NH1 3.3Å; E40-R96 IonicContact OE2-NH2 3.52Å; E40-R96 PolarHBondContact OE2-NH2 2.99Å; E40-E125 CarbonylContact O-C 3.55Å; E40-E125 WeakPolarHBondContact O-CA 3.4Å; E40-E125 WeakPolarHBondContact O-CB 3.39Å; E40-Y126 PolarHBondContact O-N 3.26Å; E40-N129 HydrophobicContact CB-CB 3.94Å; E40-N129 WeakPolarHBondContact OE2-CA 3.5Å; E40-N129 WeakPolarHBondContact OE2-CB 3.49Å; E40-F131 HydrophobicContact CB-CE2 4.36Å
41R98Very high97.7Very high54 Ų5445.6 Ų45.620%0.20422%0.216CC..EExtended strand (participates in β ladder)trans-146.5129.7172.9-179.2179-691712.7108.7H39 V123 L124 E125 F131 P132H39-R41 PolarHBondContact O-N 3.44Å; R41-V123 HydrophobicContact CG-CG1 3.61Å; R41-L124 WeakPolarHBondContact CA-O 3.47Å; R41-E125 HydrophobicContact CB-CB 4.09Å; R41-E125 HydrophobicContact CG-CB 4.14Å; R41-E125 IonicContact CZ-OE2 2.68Å; R41-E125 IonicContact NE-OE2 3.74Å; R41-E125 PolarHBondContact NE-OE2 3.29Å; R41-E125 IonicContact NH2-OE2 3.12Å; R41-E125 PolarHBondContact NH2-OE2 3.37Å; R41-F131 HydrophobicContact CB-CD2 4.21Å; R41-F131 HydrophobicContact CB-CE2 4.31Å; R41-P132 PolarHBondContact NH1-O 3.24Å; R41-P132 VanDerWaalsContact NH1-O 3.09Å; R41-P132 PolarHBondContact NH2-O 2.88Å
42I98Very high97.7Very high25 Ų2540.9 Ų40.913%0.12819%0.191CC..EExtended strand (participates in β ladder)trans-135.3153.8178.257.7162.4000111.1I32 L36 V123 L124I32-I42 HydrophobicContact CG2-CD1 3.25Å; L36-I42 HydrophobicContact CB-CD1 4.06Å; L36-I42 HydrophobicContact CB-CG1 4.33Å; L36-I42 HydrophobicContact CB-CG2 4.49Å; L36-I42 HydrophobicContact CD1-CD1 4.47Å; L36-I42 HydrophobicContact CD1-CG1 3.97Å; I42-V123 CarbonylContact O-C 3.51Å; I42-V123 VanDerWaalsContact O-CA 3.31Å; I42-V123 WeakPolarHBondContact O-CA 3.41Å; I42-L124 HydrophobicContact CG1-CB 4.08Å; I42-L124 PolarHBondContact N-O 3.47Å; I42-L124 PolarHBondContact O-N 3.29Å
43E97Very high97.7Very high137 Ų13743.8 Ų43.864%0.6420%0.2SC*.EExtended strand (participates in β ladder)trans-111.8125.6172.5-71.4179.7-168.500109.7I110 V123E43-I110 HydrophobicContact CG-CD1 4.3Å; E43-V123 HydrophobicContact CG-CG2 3.74Å
44T96.9Very high97.6Very high16 Ų1649.6 Ų49.610%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-151.1177.4179.2-168.60000110.8R48 A49 M121 A122T44-R48 HydrophobicContact CG2-CB 4.35Å; T44-A49 HydrophobicContact CG2-CB 3.59Å; T44-M121 VanDerWaalsContact C-CE 3.47Å; T44-M121 WeakPolarHBondContact O-CA 3.48Å; T44-M121 WeakPolarHBondContact O-CE 3.14Å; T44-A122 PolarHBondContact N-O 3.12Å; T44-A122 PolarHBondContact O-N 3.19Å; T44-A122 VanDerWaalsContact O-O 3.07Å
45T96.9Very high97.5Very high25 Ų2551.9 Ų51.915%0.15323%0.234CC..EExtended strand (participates in β ladder)trans-65.5140.7175.462.10000109.6V47 R48 A49 A119 Q120 M121T45-V47 PolarHBondContact O-N 3.46Å; T45-V47 VanDerWaalsContact O-N 3.09Å; T45-R48 PolarHBondContact O-N 2.89Å; T45-R48 WeakPolarHBondContact OG1-CD 3.43Å; T45-R48 VanDerWaalsContact OG1-CG 3.27Å; T45-R48 WeakPolarHBondContact OG1-CG 3.49Å; T45-A49 PolarHBondContact O-N 2.68Å; T45-A119 HydrophobicContact CG2-CB 4.26Å; T45-Q120 CarbonylContact C-O 3.58Å; T45-Q120 WeakPolarHBondContact CA-O 3.34Å; T45-M121 HydrophobicContact CG2-SD 3.94Å
46R97.1Very high97.5Very high103 Ų10351 Ų5139%0.38923%0.225SC..Hα-helixtrans-52-39.7-175.4-178.2-179.3176.8-1731.4112.6D50 Q120 A122R46-D50 WeakPolarHBondContact O-CB 3.44Å; R46-D50 PolarHBondContact O-N 2.93Å; R46-Q120 HydrophobicContact CB-CB 4.17Å; R46-Q120 PolarHBondContact N-O 3.12Å; R46-A122 HydrophobicContact CB-CB 4.19Å; R46-A122 HydrophobicContact CG-CB 4.39Å
47V96.4Very high97.5Very high58 Ų5853 Ų5335%0.35223%0.234SC..Hα-helixtrans-62.4-44178.4177.10000111.6I18 T45 E51I18-V47 HydrophobicContact CG2-CG1 4.23Å; T45-V47 PolarHBondContact O-N 3.46Å; T45-V47 VanDerWaalsContact O-N 3.09Å; V47-E51 PolarHBondContact O-N 2.95Å
48R97.3Very high97.4Very high102 Ų10257.5 Ų57.539%0.38525%0.254SS..Hα-helixtrans-72.4-41.8179.3-67.5176.5-175.1171.5-1.8111.2M28 I32 T44 T45 D50 E51 V52M28-R48 HydrophobicContact CE-CG 4.1Å; M28-R48 HydrophobicContact SD-CG 4.47Å; M28-R48 PolarHBondContact SD-NE 3.19Å; M28-R48 VanDerWaalsContact SD-NE 3.37Å; I32-R48 HydrophobicContact CD1-CB 3.94Å; I32-R48 HydrophobicContact CD1-CG 4.37Å; T44-R48 HydrophobicContact CG2-CB 4.35Å; T45-R48 PolarHBondContact O-N 2.89Å; T45-R48 WeakPolarHBondContact OG1-CD 3.43Å; T45-R48 VanDerWaalsContact OG1-CG 3.27Å; T45-R48 WeakPolarHBondContact OG1-CG 3.49Å; R48-D50 VanDerWaalsContact C-N 3.33Å; R48-D50 PolarHBondContact O-N 3.26Å; R48-E51 PolarHBondContact O-N 2.6Å; R48-V52 WeakPolarHBondContact O-CB 3.2Å; R48-V52 VanDerWaalsContact O-CG2 3.24Å; R48-V52 WeakPolarHBondContact O-CG2 3.38Å; R48-V52 PolarHBondContact O-N 2.77Å
49A97.8Very high97.4Very high0 Ų053.1 Ų53.10%024%0.238CC..Hα-helixtrans-57.5-46.3175.700000111.9T44 T45 E51 V52 R53 M107 A122 L124T44-A49 HydrophobicContact CG2-CB 3.59Å; T45-A49 PolarHBondContact O-N 2.68Å; A49-E51 PolarHBondContact O-N 3.07Å; A49-V52 PolarHBondContact O-N 3.09Å; A49-R53 WeakPolarHBondContact O-CB 3.37Å; A49-R53 PolarHBondContact O-N 2.95Å; A49-M107 HydrophobicContact CB-SD 4.01Å; A49-A122 HydrophobicContact CB-CB 4.02Å; A49-L124 HydrophobicContact CB-CB 4.43Å
50D97.1Very high97.4Very high61 Ų6148.1 Ų48.133%0.32621%0.214SC..Hα-helixtrans-61.9-41.9179.9-172.163.4000112.2R16 R46 R48 R53R16-D50 IonicContact CZ-OD2 3.64Å; R16-D50 IonicContact NE-OD2 3.96Å; R16-D50 IonicContact NH2-OD2 2.69Å; R16-D50 PolarHBondContact NH2-OD2 3.08Å; R46-D50 WeakPolarHBondContact O-CB 3.44Å; R46-D50 PolarHBondContact O-N 2.93Å; R48-D50 VanDerWaalsContact C-N 3.33Å; R48-D50 PolarHBondContact O-N 3.26Å; D50-R53 WeakPolarHBondContact O-CB 3.18Å
51E97.2Very high97.4Very high13 Ų1349.6 Ų49.66%0.06122%0.223CC..Hα-helixtrans-67.7-46.4174.8-69.3-142137.500112.6R16 I18 R25 L29 V47 R48 A49 R53 F54 Y55R16-E51 WeakPolarHBondContact CA-OE1 3.3Å; R16-E51 WeakPolarHBondContact CB-OE1 3.36Å; R16-E51 HydrophobicContact CG-CG 4.26Å; R16-E51 VanDerWaalsContact CG-OE1 3.25Å; R16-E51 WeakPolarHBondContact CG-OE1 3.43Å; R16-E51 PolarHBondContact N-OE1 2.7Å; I18-E51 WeakPolarHBondContact CD1-OE2 3.34Å; R25-E51 IonicContact CZ-OE1 3.12Å; R25-E51 IonicContact CZ-OE2 3.19Å; R25-E51 IonicContact NE-OE1 3.62Å; R25-E51 IonicContact NE-OE2 2.89Å; R25-E51 PolarHBondContact NE-OE2 2.74Å; R25-E51 IonicContact NH2-OE1 2.84Å; R25-E51 PolarHBondContact NH2-OE1 3.23Å; R25-E51 IonicContact NH2-OE2 2.8Å; R25-E51 PolarHBondContact NH2-OE2 3.44Å; L29-E51 HydrophobicContact CD2-CB 3.9Å; V47-E51 PolarHBondContact O-N 2.95Å; R48-E51 PolarHBondContact O-N 2.6Å; A49-E51 PolarHBondContact O-N 3.07Å; E51-R53 PolarHBondContact O-N 3.48Å; E51-F54 PolarHBondContact O-N 3.06Å; E51-Y55 WeakPolarHBondContact O-CD2 3.37Å
52V97.9Very high97.4Very high1 Ų149.5 Ų49.51%0.00622%0.223CC..Hα-helixtrans-61.3-34.5-180171.60000111.1L29 I32 L33 L36 R48 A49 F54 Y55 A56 L124L29-V52 HydrophobicContact CD2-CG2 3.46Å; L29-V52 VanDerWaalsContact CD2-CG2 3.46Å; I32-V52 HydrophobicContact CB-CG2 3.82Å; I32-V52 HydrophobicContact CD1-CG2 4.24Å; I32-V52 HydrophobicContact CG2-CB 4.34Å; I32-V52 HydrophobicContact CG2-CG1 4.13Å; I32-V52 HydrophobicContact CG2-CG2 3.7Å; L33-V52 HydrophobicContact CB-CG1 4.36Å; L33-V52 HydrophobicContact CD1-CG1 4.34Å; L36-V52 HydrophobicContact CD2-CG1 4.49Å; R48-V52 WeakPolarHBondContact O-CB 3.2Å; R48-V52 VanDerWaalsContact O-CG2 3.24Å; R48-V52 WeakPolarHBondContact O-CG2 3.38Å; R48-V52 PolarHBondContact O-N 2.77Å; A49-V52 PolarHBondContact O-N 3.09Å; V52-F54 VanDerWaalsContact C-N 3.29Å; V52-F54 PolarHBondContact O-N 3.47Å; V52-Y55 PolarHBondContact O-N 3.23Å; V52-Y55 VanDerWaalsContact O-N 3.12Å; V52-A56 WeakPolarHBondContact O-CB 3.25Å; V52-A56 PolarHBondContact O-N 3.26Å; V52-L124 HydrophobicContact CB-CD2 4.22Å; V52-L124 HydrophobicContact CG1-CD2 3.89Å
53R97.6Very high97.3Very high86 Ų8648.5 Ų48.533%0.32522%0.218SC..Hα-helixtrans-51.5-47.3178.4-172.8-174.4171-179.9-2.3112.4A49 D50 E51 Y55 A56 E57 T105 L124A49-R53 WeakPolarHBondContact O-CB 3.37Å; A49-R53 PolarHBondContact O-N 2.95Å; D50-R53 WeakPolarHBondContact O-CB 3.18Å; E51-R53 PolarHBondContact O-N 3.48Å; R53-Y55 PolarHBondContact O-N 3.29Å; R53-A56 PolarHBondContact O-N 3.46Å; R53-E57 IonicContact CZ-OE1 2.8Å; R53-E57 IonicContact NE-OE1 3.66Å; R53-E57 PolarHBondContact NE-OE1 2.66Å; R53-E57 IonicContact NH2-OE1 3.12Å; R53-E57 WeakPolarHBondContact O-CG 3.36Å; R53-E57 PolarHBondContact O-N 3.47Å; R53-T105 VanDerWaalsContact CG-OG1 3.3Å; R53-T105 WeakPolarHBondContact CG-OG1 3.47Å; R53-L124 HydrophobicContact CB-CD1 4.25Å; R53-L124 HydrophobicContact CG-CD1 4.24Å
54F96.6Very high97.3Very high122 Ų12245.5 Ų45.554%0.53520%0.203SC..Hα-helixtrans-61.1-45.9179.4176.7-96.3000111.9E51 V52 E57 K58E51-F54 PolarHBondContact O-N 3.06Å; V52-F54 VanDerWaalsContact C-N 3.29Å; V52-F54 PolarHBondContact O-N 3.47Å; F54-E57 PolarHBondContact O-N 2.97Å; F54-K58 HydrophobicContact CE1-CG 4.23Å; F54-K58 HydrophobicContact CZ-CG 4.19Å; F54-K58 WeakPolarHBondContact O-CG 3.36Å; F54-K58 PolarHBondContact O-N 3.03Å; F54-K58 VanDerWaalsContact O-N 3.1Å
55Y97.7Very high97.2Very high51 Ų5150.3 Ų50.320%0.222%0.222CC..Hα-helixtrans-69-36.3179-64.4-77.1000112.2R25 L29 E51 V52 R53 K58 L59 W79R25-Y55 PolarHBondContact NH1-OH 3.31Å; R25-Y55 VanDerWaalsContact NH1-OH 3.17Å; L29-Y55 HydrophobicContact CD1-CD2 4.12Å; L29-Y55 HydrophobicContact CD1-CE2 3.6Å; E51-Y55 WeakPolarHBondContact O-CD2 3.37Å; V52-Y55 PolarHBondContact O-N 3.23Å; V52-Y55 VanDerWaalsContact O-N 3.12Å; R53-Y55 PolarHBondContact O-N 3.29Å; Y55-K58 PolarHBondContact O-N 2.82Å; Y55-L59 WeakPolarHBondContact O-CB 3.43Å; Y55-L59 PolarHBondContact O-N 2.93Å; Y55-W79 AromaticContact CD1-CH2 3.32Å; Y55-W79 HydrophobicContact CD1-CH2 3.32Å; Y55-W79 AromaticContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ2 3.48Å; Y55-W79 VanDerWaalsContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ3 4.13Å; Y55-W79 AromaticContact CE1-CH2 3.54Å; Y55-W79 HydrophobicContact CE1-CH2 3.54Å; Y55-W79 AromaticContact CE1-CZ2 3.78Å; Y55-W79 HydrophobicContact CE1-CZ2 3.78Å; Y55-W79 AromaticContact CG-CH2 3.88Å; Y55-W79 HydrophobicContact CG-CH2 3.88Å; Y55-W79 HydrophobicContact CG-CZ2 4.36Å; Y55-W79 HydrophobicContact CG-CZ3 4.27Å
56A98.2Very high96.9Very high0 Ų050.1 Ų50.10%023%0.226CC..Hα-helixtrans-63.2-42175.100000111.7L33 L36 V52 R53 L59 I60 T105L33-A56 HydrophobicContact CD1-CB 3.63Å; L36-A56 HydrophobicContact CD2-CB 3.71Å; V52-A56 WeakPolarHBondContact O-CB 3.25Å; V52-A56 PolarHBondContact O-N 3.26Å; R53-A56 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 3.45Å; A56-I60 WeakPolarHBondContact O-CG1 3.22Å; A56-I60 PolarHBondContact O-N 2.84Å; A56-T105 HydrophobicContact CB-CG2 3.99Å
57E97.6Very high96.6Very high41 Ų4149.6 Ų49.619%0.19223%0.231CC..Hα-helixtrans-64-44.6175.7-72.2-177.8-168.500111.5R53 F54 L59 I60 D61 Y104 T105R53-E57 IonicContact CZ-OE1 2.8Å; R53-E57 IonicContact NE-OE1 3.66Å; R53-E57 PolarHBondContact NE-OE1 2.66Å; R53-E57 IonicContact NH2-OE1 3.12Å; R53-E57 WeakPolarHBondContact O-CG 3.36Å; R53-E57 PolarHBondContact O-N 3.47Å; F54-E57 PolarHBondContact O-N 2.97Å; E57-L59 PolarHBondContact O-N 3.37Å; E57-I60 PolarHBondContact O-N 2.81Å; E57-D61 PolarHBondContact O-N 2.94Å; E57-Y104 HydrophobicContact CB-CD2 4.19Å; E57-Y104 HydrophobicContact CG-CD2 4.2Å; E57-T105 PolarHBondContact OE1-OG1 3.17Å
58K97.3Very high96.6Very high96 Ų9652.9 Ų52.942%0.41725%0.251SS..Hα-helixtrans-67-35.2177.7-69.9-71.2154.7-1420113.3F54 Y55 I60 D61 Y62F54-K58 HydrophobicContact CE1-CG 4.23Å; F54-K58 HydrophobicContact CZ-CG 4.19Å; F54-K58 WeakPolarHBondContact O-CG 3.36Å; F54-K58 PolarHBondContact O-N 3.03Å; F54-K58 VanDerWaalsContact O-N 3.1Å; Y55-K58 PolarHBondContact O-N 2.82Å; K58-I60 VanDerWaalsContact C-N 3.29Å; K58-I60 PolarHBondContact O-N 3.35Å; K58-D61 IonicContact NZ-OD2 3.88Å; K58-D61 PolarHBondContact NZ-OD2 3.2Å; K58-D61 WeakPolarHBondContact O-CB 3.34Å; K58-D61 PolarHBondContact O-N 3.37Å; K58-Y62 WeakPolarHBondContact O-CD2 3.28Å; K58-Y62 PolarHBondContact O-N 2.88Å
59L97.8Very high96.5Very high4 Ų450.4 Ų50.42%0.02125%0.246CC..Hα-helixtrans-62-40.5176.6-17763.6000111L33 V37 Y55 A56 E57 Y62 A63 W79 L80 L89L33-L59 HydrophobicContact CD1-CD2 4.23Å; L33-L59 HydrophobicContact CD2-CD2 3.91Å; L33-L59 HydrophobicContact CG-CD2 4.08Å; V37-L59 HydrophobicContact CG2-CD2 4.24Å; Y55-L59 WeakPolarHBondContact O-CB 3.43Å; Y55-L59 PolarHBondContact O-N 2.93Å; A56-L59 PolarHBondContact O-N 3.45Å; E57-L59 PolarHBondContact O-N 3.37Å; L59-Y62 PolarHBondContact O-N 3.48Å; L59-A63 WeakPolarHBondContact O-CB 3.45Å; L59-A63 PolarHBondContact O-N 3.32Å; L59-W79 HydrophobicContact CD1-CB 4.28Å; L59-L80 HydrophobicContact CD2-CD2 4.29Å; L59-L89 HydrophobicContact CD1-CD2 3.84Å; L59-L89 HydrophobicContact CD2-CD1 4.26Å; L59-L89 HydrophobicContact CD2-CD2 4.14Å; L59-L89 HydrophobicContact CG-CD1 4.15Å; L59-L89 HydrophobicContact CG-CD2 3.86Å
60I97.9Very high96.5Very high0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-66-42.8173.7-61.6-62.1000111A56 E57 K58 Y62 A63 K64 L89 L93 F97 Y104 Y126A56-I60 WeakPolarHBondContact O-CG1 3.22Å; A56-I60 PolarHBondContact O-N 2.84Å; E57-I60 PolarHBondContact O-N 2.81Å; K58-I60 VanDerWaalsContact C-N 3.29Å; K58-I60 PolarHBondContact O-N 3.35Å; I60-Y62 VanDerWaalsContact C-N 3.26Å; I60-Y62 PolarHBondContact O-N 3.19Å; I60-A63 PolarHBondContact O-N 2.93Å; I60-K64 HydrophobicContact CG2-CD 4.28Å; I60-K64 HydrophobicContact CG2-CG 4.34Å; I60-K64 WeakPolarHBondContact O-CG 3.44Å; I60-K64 PolarHBondContact O-N 3.26Å; I60-L89 HydrophobicContact CD1-CD1 3.8Å; I60-L93 HydrophobicContact CD1-CB 3.92Å; I60-L93 HydrophobicContact CD1-CD1 4.37Å; I60-F97 HydrophobicContact CD1-CD2 4.24Å; I60-F97 HydrophobicContact CD1-CE2 4.44Å; I60-F97 HydrophobicContact CG1-CD2 4.44Å; I60-F97 HydrophobicContact CG2-CB 4.1Å; I60-F97 HydrophobicContact CG2-CD2 3.93Å; I60-F97 HydrophobicContact CG2-CG 4.38Å; I60-Y104 HydrophobicContact CB-CD2 3.76Å; I60-Y104 HydrophobicContact CB-CE2 3.95Å; I60-Y104 HydrophobicContact CB-CG 4.18Å; I60-Y104 HydrophobicContact CG1-CD2 4.3Å; I60-Y104 HydrophobicContact CG1-CG 4.45Å; I60-Y104 HydrophobicContact CG2-CD1 3.97Å; I60-Y104 HydrophobicContact CG2-CD2 3.77Å; I60-Y104 HydrophobicContact CG2-CE1 3.99Å; I60-Y104 HydrophobicContact CG2-CE2 3.8Å; I60-Y104 HydrophobicContact CG2-CG 3.83Å; I60-Y126 HydrophobicContact CD1-CE1 4.06Å; I60-Y126 HydrophobicContact CG1-CE1 3.81Å
61D97.3Very high96.4Very high46 Ų4659.4 Ų59.425%0.24628%0.284CS..Hα-helixtrans-56.5-40175-68.7-21.2000112.1E57 K58 Y104E57-D61 PolarHBondContact O-N 2.94Å; K58-D61 IonicContact NZ-OD2 3.88Å; K58-D61 PolarHBondContact NZ-OD2 3.2Å; K58-D61 WeakPolarHBondContact O-CB 3.34Å; K58-D61 PolarHBondContact O-N 3.37Å; D61-Y104 VanDerWaalsContact OD1-CE2 3.22Å; D61-Y104 WeakPolarHBondContact OD1-CE2 3.4Å; D61-Y104 PolarHBondContact OD1-OH 3.45Å
62Y97Very high96.4Very high53 Ų5358.9 Ų58.921%0.20828%0.281CS..Hα-helixtrans-68.9-42.9173.7-80.9-70.8000112K58 L59 I60 K64 K65 K71 A72 M75K58-Y62 WeakPolarHBondContact O-CD2 3.28Å; K58-Y62 PolarHBondContact O-N 2.88Å; L59-Y62 PolarHBondContact O-N 3.48Å; I60-Y62 VanDerWaalsContact C-N 3.26Å; I60-Y62 PolarHBondContact O-N 3.19Å; Y62-K64 VanDerWaalsContact C-N 3.26Å; Y62-K64 PolarHBondContact O-N 3.01Å; Y62-K65 HydrophobicContact CD1-CD 4.34Å; Y62-K65 WeakPolarHBondContact O-CB 3.22Å; Y62-K65 PolarHBondContact O-N 3Å; Y62-K65 VanDerWaalsContact O-N 3.1Å; Y62-K71 HydrophobicContact CE1-CD 4.28Å; Y62-K71 HydrophobicContact CE1-CG 4.3Å; Y62-A72 VanDerWaalsContact O-CB 3.3Å; Y62-A72 WeakPolarHBondContact O-CB 3.26Å; Y62-M75 HydrophobicContact CD1-CG 4.36Å; Y62-M75 HydrophobicContact CD2-CE 4.34Å; Y62-M75 HydrophobicContact CD2-CG 4.5Å; Y62-M75 HydrophobicContact CE1-CG 4.3Å; Y62-M75 HydrophobicContact CE2-CE 3.91Å; Y62-M75 HydrophobicContact CE2-CG 4.47Å; Y62-M75 HydrophobicContact CG-CB 4.44Å; Y62-M75 HydrophobicContact CG-CG 4.47Å
63A96.8Very high96.3Very high3 Ų362.4 Ų62.43%0.02530%0.299CS..Hα-helixtrans-61.8-35.2179.800000112.5L59 I60 K65 G66 L89 F90 A94L59-A63 WeakPolarHBondContact O-CB 3.45Å; L59-A63 PolarHBondContact O-N 3.32Å; I60-A63 PolarHBondContact O-N 2.93Å; A63-K65 PolarHBondContact O-N 3.39Å; A63-G66 PolarHBondContact O-N 2.78Å; A63-L89 HydrophobicContact CB-CD1 3.99Å; A63-L89 HydrophobicContact CB-CD2 4.1Å; A63-L89 HydrophobicContact CB-CG 3.71Å; A63-F90 HydrophobicContact CB-CD1 4.22Å; A63-F90 HydrophobicContact CB-CE1 4.21Å; A63-F90 WeakPolarHBondContact O-CD1 3.49Å; A63-A94 HydrophobicContact CB-CB 3.93Å
64K96.1Very high96.3Very high75 Ų7564.8 Ų64.833%0.32631%0.311SS..THydrogen-bonded Turntrans-65.3-16.9176-73-176.566.7164.80114.3I60 Y62 G66 A94 F97 E98 H100 Y104I60-K64 HydrophobicContact CG2-CD 4.28Å; I60-K64 HydrophobicContact CG2-CG 4.34Å; I60-K64 WeakPolarHBondContact O-CG 3.44Å; I60-K64 PolarHBondContact O-N 3.26Å; Y62-K64 VanDerWaalsContact C-N 3.26Å; Y62-K64 PolarHBondContact O-N 3.01Å; K64-G66 PolarHBondContact O-N 2.83Å; K64-A94 HydrophobicContact CG-CB 4.37Å; K64-F97 PolarHBondContact NZ-O 2.93Å; K64-E98 PolarHBondContact NZ-O 3.35Å; K64-H100 PolarHBondContact NZ-O 3.31Å; K64-Y104 HydrophobicContact CD-CE1 4.5Å
65K94.9Very high96.3Very high116 Ų11661.4 Ų61.450%0.50430%0.298SS..THydrogen-bonded Turntrans-72-18.8175.1-63.6-179.2178.2-177.20113.1Y62 A63 D69Y62-K65 HydrophobicContact CD1-CD 4.34Å; Y62-K65 WeakPolarHBondContact O-CB 3.22Å; Y62-K65 PolarHBondContact O-N 3Å; Y62-K65 VanDerWaalsContact O-N 3.1Å; A63-K65 PolarHBondContact O-N 3.39Å; K65-D69 HydrophobicContact CB-CB 4.37Å; K65-D69 WeakPolarHBondContact CD-OD2 3.45Å
66G92Very high96.3Very high22 Ų2259 Ų5923%0.22729%0.289CS..  trans111.6159.7-179.100000113A63 K64 T68 F90A63-G66 PolarHBondContact O-N 2.78Å; K64-G66 PolarHBondContact O-N 2.83Å; G66-T68 VanDerWaalsContact C-N 3.33Å; G66-F90 VanDerWaalsContact O-CE1 3.3Å; G66-F90 WeakPolarHBondContact O-CE1 3.45Å
67D91.3Very high96.3Very high91 Ų9161.3 Ų61.349%0.48731%0.305SS..SBendtrans-76.5-21.4176.360.4-12.7000113D69 M73 F90D67-D69 VanDerWaalsContact C-N 3.33Å; D67-M73 HydrophobicContact CB-CE 4.41Å; D67-F90 HydrophobicContact CB-CB 4.38Å; D67-F90 HydrophobicContact CB-CD1 4.08Å; D67-F90 HydrophobicContact CB-CE1 4.49Å; D67-F90 HydrophobicContact CB-CG 4.1Å
68T94.6Very high96.3Very high128 Ų12864 Ų6479%0.78532%0.316SS*.SBendtrans-73.2-21.1174.255.80000113.5G66 E70G66-T68 VanDerWaalsContact C-N 3.33Å; T68-E70 PolarHBondContact O-N 2.79Å
69D96.6Very high96.3Very high50 Ų5060.7 Ų60.727%0.26730%0.301SS..  trans-72.5110.6175.1179.45.6000110K65 D67 K71 A72 M73K65-D69 HydrophobicContact CB-CB 4.37Å; K65-D69 WeakPolarHBondContact CD-OD2 3.45Å; D67-D69 VanDerWaalsContact C-N 3.33Å; D69-K71 PolarHBondContact O-N 3.44Å; D69-K71 VanDerWaalsContact O-N 3.15Å; D69-K71 WeakPolarHBondContact OD1-CB 3.22Å; D69-K71 PolarHBondContact OD1-N 3.35Å; D69-A72 HydrophobicContact CB-CB 3.9Å; D69-A72 WeakPolarHBondContact O-CB 3.16Å; D69-A72 PolarHBondContact O-N 3.1Å; D69-M73 PolarHBondContact O-N 3.23Å
70E96.5Very high96.3Very high133 Ų13360.5 Ų60.562%0.62130%0.3SS*.Hα-helixtrans-54.2-35.7177-68.5-169.8-167.100112.8T68 M73 K74T68-E70 PolarHBondContact O-N 2.79Å; E70-M73 PolarHBondContact O-N 3.28Å; E70-K74 WeakPolarHBondContact O-CB 3.11Å; E70-K74 VanDerWaalsContact O-CG 3.25Å; E70-K74 WeakPolarHBondContact O-CG 3.44Å; E70-K74 PolarHBondContact O-N 2.72Å; E70-K74 IonicContact OE2-NZ 2.82Å; E70-K74 PolarHBondContact OE2-NZ 3.47Å
71K96.4Very high96.3Very high117 Ų11763.2 Ų63.251%0.50932%0.317SS..Hα-helixtrans-69.3-42.1-179.6-173.6175.7-178.4173.70110.3Y62 D69 M75Y62-K71 HydrophobicContact CE1-CD 4.28Å; Y62-K71 HydrophobicContact CE1-CG 4.3Å; D69-K71 PolarHBondContact O-N 3.44Å; D69-K71 VanDerWaalsContact O-N 3.15Å; D69-K71 WeakPolarHBondContact OD1-CB 3.22Å; D69-K71 PolarHBondContact OD1-N 3.35Å; K71-M75 WeakPolarHBondContact O-CB 3.35Å; K71-M75 WeakPolarHBondContact O-CG 3.47Å; K71-M75 PolarHBondContact O-N 3.15Å
72A96.4Very high96.3Very high1 Ų163.9 Ų63.91%0.00832%0.318CS..Hα-helixtrans-62.1-44.8175.300000111Y62 D69 M75 A76 F90Y62-A72 VanDerWaalsContact O-CB 3.3Å; Y62-A72 WeakPolarHBondContact O-CB 3.26Å; D69-A72 HydrophobicContact CB-CB 3.9Å; D69-A72 WeakPolarHBondContact O-CB 3.16Å; D69-A72 PolarHBondContact O-N 3.1Å; A72-M75 PolarHBondContact O-N 2.81Å; A72-A76 WeakPolarHBondContact O-CB 3.25Å; A72-A76 PolarHBondContact O-N 3.32Å; A72-F90 HydrophobicContact CB-CE1 4.1Å; A72-F90 HydrophobicContact CB-CZ 4.09Å
73M96.7Very high96.3Very high75 Ų7566.4 Ų66.437%0.36933%0.33SS..Hα-helixtrans-63.4-45.3178.4-173.258.669.100112.6D67 D69 E70 M75 A76 S77 V86 F90D67-M73 HydrophobicContact CB-CE 4.41Å; D69-M73 PolarHBondContact O-N 3.23Å; E70-M73 PolarHBondContact O-N 3.28Å; M73-M75 VanDerWaalsContact C-N 3.34Å; M73-M75 PolarHBondContact O-N 3.1Å; M73-A76 PolarHBondContact O-N 2.9Å; M73-S77 WeakPolarHBondContact O-CB 3.31Å; M73-S77 PolarHBondContact O-N 2.97Å; M73-V86 HydrophobicContact SD-CG1 3.89Å; M73-F90 HydrophobicContact CE-CE2 4.12Å; M73-F90 HydrophobicContact SD-CE2 4.36Å
74K96.9Very high96.4Very high136 Ų13671.1 Ų71.159%0.59136%0.355SS*.Hα-helixtrans-61-42.8175.7-74.8167.7-175.4157.70111.3E70 F78E70-K74 WeakPolarHBondContact O-CB 3.11Å; E70-K74 VanDerWaalsContact O-CG 3.25Å; E70-K74 WeakPolarHBondContact O-CG 3.44Å; E70-K74 PolarHBondContact O-N 2.72Å; E70-K74 IonicContact OE2-NZ 2.82Å; E70-K74 PolarHBondContact OE2-NZ 3.47Å; K74-F78 WeakPolarHBondContact O-CB 3.06Å; K74-F78 PolarHBondContact O-N 3.36Å
75M97.3Very high96.4Very high51 Ų5168 Ų6825%0.25134%0.342SS..Hα-helixtrans-65.4-46.4176.9-72.4-62.5-70.500111.9Y62 K71 A72 M73 S77 F78 W79Y62-M75 HydrophobicContact CD1-CG 4.36Å; Y62-M75 HydrophobicContact CD2-CE 4.34Å; Y62-M75 HydrophobicContact CD2-CG 4.5Å; Y62-M75 HydrophobicContact CE1-CG 4.3Å; Y62-M75 HydrophobicContact CE2-CE 3.91Å; Y62-M75 HydrophobicContact CE2-CG 4.47Å; Y62-M75 HydrophobicContact CG-CB 4.44Å; Y62-M75 HydrophobicContact CG-CG 4.47Å; K71-M75 WeakPolarHBondContact O-CB 3.35Å; K71-M75 WeakPolarHBondContact O-CG 3.47Å; K71-M75 PolarHBondContact O-N 3.15Å; A72-M75 PolarHBondContact O-N 2.81Å; M73-M75 VanDerWaalsContact C-N 3.34Å; M73-M75 PolarHBondContact O-N 3.1Å; M75-S77 VanDerWaalsContact C-N 3.35Å; M75-S77 PolarHBondContact O-N 3.34Å; M75-F78 PolarHBondContact O-N 2.8Å; M75-W79 VanDerWaalsContact CE-NE1 3.32Å; M75-W79 VanDerWaalsContact O-CD1 3.22Å; M75-W79 PolarHBondContact O-N 3.12Å
76A97.4Very high96.6Very high1 Ų163.3 Ų63.31%0.00832%0.323CS..Hα-helixtrans-59.9-45.8176.900000111.2A72 M73 F78 W79 L80 V86 L89 F90A72-A76 WeakPolarHBondContact O-CB 3.25Å; A72-A76 PolarHBondContact O-N 3.32Å; M73-A76 PolarHBondContact O-N 2.9Å; A76-F78 PolarHBondContact O-N 2.88Å; A76-W79 PolarHBondContact O-N 2.89Å; A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.47Å; A76-L80 PolarHBondContact O-N 3.41Å; A76-V86 HydrophobicContact CB-CG1 4.3Å; A76-L89 HydrophobicContact CB-CD2 3.88Å; A76-F90 HydrophobicContact CB-CE2 3.79Å; A76-F90 HydrophobicContact CB-CZ 4.09Å
77S97.2Very high96.8Very high48 Ų4865.5 Ų65.534%0.33633%0.333SS..Hα-helixtrans-64.4-39176.6-1720000112.2M73 M75 L80 K83M73-S77 WeakPolarHBondContact O-CB 3.31Å; M73-S77 PolarHBondContact O-N 2.97Å; M75-S77 VanDerWaalsContact C-N 3.35Å; M75-S77 PolarHBondContact O-N 3.34Å; S77-L80 VanDerWaalsContact O-O 3.06Å; S77-K83 PolarHBondContact O-NZ 3.37Å; S77-K83 PolarHBondContact OG-NZ 3.12Å
78F97.9Very high97.1Very high99 Ų9963.6 Ų63.643%0.43432%0.321SS..Hα-helixtrans-64.8-50.9175.7175.7-97.6000111.6I26 R30 K74 M75 A76I26-F78 HydrophobicContact CG2-CE1 4.2Å; I26-F78 HydrophobicContact CG2-CZ 3.97Å; R30-F78 PolarHBondContact NE-O 2.8Å; R30-F78 PolarHBondContact NH2-O 3.48Å; K74-F78 WeakPolarHBondContact O-CB 3.06Å; K74-F78 PolarHBondContact O-N 3.36Å; M75-F78 PolarHBondContact O-N 2.8Å; A76-F78 PolarHBondContact O-N 2.88Å
79W98.3Very high97.3Very high25 Ų2557.5 Ų57.510%0.09528%0.283CS..Hα-helixtrans-72.3-37.8-173.3-78.4105.5000113.5I26 L29 R30 L33 Y55 L59 M75 A76I26-W79 HydrophobicContact CD1-CH2 4.37Å; L29-W79 HydrophobicContact CB-CZ3 4.42Å; R30-W79 HydrophobicContact CB-CE3 4.48Å; R30-W79 HydrophobicContact CG-CD2 4.43Å; R30-W79 HydrophobicContact CG-CE3 3.52Å; R30-W79 HydrophobicContact CG-CZ3 3.78Å; L33-W79 HydrophobicContact CD2-CB 4.07Å; L33-W79 HydrophobicContact CD2-CD2 4.09Å; L33-W79 HydrophobicContact CD2-CE3 3.74Å; L33-W79 HydrophobicContact CD2-CG 4.24Å; Y55-W79 AromaticContact CD1-CH2 3.32Å; Y55-W79 HydrophobicContact CD1-CH2 3.32Å; Y55-W79 AromaticContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ2 3.48Å; Y55-W79 VanDerWaalsContact CD1-CZ2 3.48Å; Y55-W79 HydrophobicContact CD1-CZ3 4.13Å; Y55-W79 AromaticContact CE1-CH2 3.54Å; Y55-W79 HydrophobicContact CE1-CH2 3.54Å; Y55-W79 AromaticContact CE1-CZ2 3.78Å; Y55-W79 HydrophobicContact CE1-CZ2 3.78Å; Y55-W79 AromaticContact CG-CH2 3.88Å; Y55-W79 HydrophobicContact CG-CH2 3.88Å; Y55-W79 HydrophobicContact CG-CZ2 4.36Å; Y55-W79 HydrophobicContact CG-CZ3 4.27Å; L59-W79 HydrophobicContact CD1-CB 4.28Å; M75-W79 VanDerWaalsContact CE-NE1 3.32Å; M75-W79 VanDerWaalsContact O-CD1 3.22Å; M75-W79 PolarHBondContact O-N 3.12Å; A76-W79 PolarHBondContact O-N 2.89Å
80L98Very high97.3Very high0 Ų056 Ų560%028%0.275CS..  trans-89.7110.9177.9-59.9176.4000110.2V37 L59 A76 S77 E82 K83 L85 V86 L89V37-L80 HydrophobicContact CB-CD2 4.07Å; V37-L80 HydrophobicContact CG1-CD2 4.33Å; V37-L80 HydrophobicContact CG2-CD2 3.95Å; L59-L80 HydrophobicContact CD2-CD2 4.29Å; A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.47Å; A76-L80 PolarHBondContact O-N 3.41Å; S77-L80 VanDerWaalsContact O-O 3.06Å; L80-E82 VanDerWaalsContact C-N 3.29Å; L80-K83 PolarHBondContact O-NZ 3.29Å; L80-K83 VanDerWaalsContact O-NZ 3.08Å; L80-L85 HydrophobicContact CD1-CB 4.13Å; L80-V86 HydrophobicContact CB-CG2 4.37Å; L80-V86 HydrophobicContact CD1-CG2 4.01Å; L80-L89 HydrophobicContact CD1-CB 4.32Å; L80-L89 HydrophobicContact CD1-CD2 4.03Å
81T97.3Very high97.4Very high57 Ų5757.1 Ų57.135%0.3528%0.277SS..SBendtrans-65.6-37.4174.148.80000111R30 T34R30-T81 HydrophobicContact CB-CG2 4.49Å; T34-T81 WeakPolarHBondContact CG2-OG1 3.43Å; T34-T81 PolarHBondContact OG1-N 2.88Å; T34-T81 PolarHBondContact OG1-OG1 3.2Å
82E97.8Very high97.4Very high60 Ų6054.7 Ų54.728%0.2827%0.272SS..SBendtrans-95.2115.1-179.3-61.5177.4150.800109.7T34 R38 L80 D84 L85T34-E82 HydrophobicContact CG2-CB 3.84Å; T34-E82 HydrophobicContact CG2-CG 3.7Å; T34-E82 WeakPolarHBondContact CG2-OE2 3.19Å; R38-E82 IonicContact CZ-OE1 2.78Å; R38-E82 IonicContact CZ-OE2 3.78Å; R38-E82 IonicContact NE-OE2 2.77Å; R38-E82 PolarHBondContact NE-OE2 2.82Å; R38-E82 IonicContact NH1-OE1 3.18Å; R38-E82 PolarHBondContact NH1-OE1 2.92Å; R38-E82 IonicContact NH1-OE2 3.1Å; R38-E82 PolarHBondContact NH1-OE2 2.92Å; R38-E82 VanDerWaalsContact NH1-OE2 3.12Å; R38-E82 IonicContact NH2-OE1 3.49Å; R38-E82 PolarHBondContact NH2-OE1 3.43Å; R38-E82 IonicContact NH2-OE2 2.95Å; R38-E82 PolarHBondContact NH2-OE2 3.47Å; L80-E82 VanDerWaalsContact C-N 3.29Å; E82-D84 VanDerWaalsContact C-OD1 3.24Å; E82-D84 WeakPolarHBondContact CB-OD1 3.43Å; E82-L85 HydrophobicContact CB-CD1 4.05Å; E82-L85 HydrophobicContact CB-CG 4.17Å; E82-L85 PolarHBondContact O-N 3.04Å
83K96.6Very high97.5Very high107 Ų10754.6 Ų54.647%0.46527%0.272SS..THydrogen-bonded Turntrans-78.9-22.5-168.6-56.3-55.3177.4-1740113.9S77 L80 L85 V86 P87S77-K83 PolarHBondContact O-NZ 3.37Å; S77-K83 PolarHBondContact OG-NZ 3.12Å; L80-K83 PolarHBondContact O-NZ 3.29Å; L80-K83 VanDerWaalsContact O-NZ 3.08Å; K83-L85 PolarHBondContact O-N 3.5Å; K83-V86 WeakPolarHBondContact O-CB 3.47Å; K83-V86 PolarHBondContact O-N 2.88Å; K83-P87 WeakPolarHBondContact O-CD 3.31Å
84D97.3Very high97.5Very high102 Ų10251.5 Ų51.555%0.54526%0.257SS..THydrogen-bonded Turntrans-57.8-25.1169.458.8-44.9000112.9R38 E82 P87R38-D84 IonicContact NH2-OD2 3.15Å; R38-D84 PolarHBondContact NH2-OD2 3.32Å; E82-D84 VanDerWaalsContact C-OD1 3.24Å; E82-D84 WeakPolarHBondContact CB-OD1 3.43Å; D84-P87 WeakPolarHBondContact O-CD 3.3Å
85L97.9Very high97.5Very high10 Ų1048.3 Ų48.35%0.05225%0.251CS..Hα-helixtrans-81.9-16178.9-59.8-177.9000113.8T34 V37 R38 L80 E82 K83 K88 L89T34-L85 HydrophobicContact CG2-CD1 3.59Å; V37-L85 HydrophobicContact CB-CD1 4.44Å; V37-L85 HydrophobicContact CG1-CB 4.07Å; V37-L85 HydrophobicContact CG1-CD1 4.33Å; R38-L85 HydrophobicContact CB-CD1 3.9Å; R38-L85 HydrophobicContact CB-CD2 4.05Å; R38-L85 HydrophobicContact CG-CD2 4.42Å; L80-L85 HydrophobicContact CD1-CB 4.13Å; E82-L85 HydrophobicContact CB-CD1 4.05Å; E82-L85 HydrophobicContact CB-CG 4.17Å; E82-L85 PolarHBondContact O-N 3.04Å; K83-L85 PolarHBondContact O-N 3.5Å; L85-K88 WeakPolarHBondContact O-CB 3.24Å; L85-K88 PolarHBondContact O-N 3.37Å; L85-L89 PolarHBondContact O-N 2.97Å
86V97.6Very high97.5Very high16 Ų1649.4 Ų49.410%0.09725%0.252CS..Hα-helixtrans-62.4-47.5-178.7177.70000111.1M73 A76 L80 K83 K88 L89 F90M73-V86 HydrophobicContact SD-CG1 3.89Å; A76-V86 HydrophobicContact CB-CG1 4.3Å; L80-V86 HydrophobicContact CB-CG2 4.37Å; L80-V86 HydrophobicContact CD1-CG2 4.01Å; K83-V86 WeakPolarHBondContact O-CB 3.47Å; K83-V86 PolarHBondContact O-N 2.88Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 3.22Å; V86-L89 WeakPolarHBondContact O-CB 3.4Å; V86-L89 PolarHBondContact O-N 2.94Å; V86-F90 HydrophobicContact CG1-CD2 3.9Å; V86-F90 HydrophobicContact CG1-CE2 3.79Å; V86-F90 WeakPolarHBondContact O-CD2 3.37Å; V86-F90 PolarHBondContact O-N 2.76Å
87P97.5Very high97.5Very high69 Ų6949.5 Ų49.545%0.44825%0.252SS..Hα-helixtrans-58.5-39.3172.4-25.634.7000113.5K83 D84 L89 F90 K91K83-P87 WeakPolarHBondContact O-CD 3.31Å; D84-P87 WeakPolarHBondContact O-CD 3.3Å; P87-L89 VanDerWaalsContact C-N 3.3Å; P87-L89 PolarHBondContact O-N 3.5Å; P87-F90 PolarHBondContact O-N 2.94Å; P87-K91 VanDerWaalsContact O-CB 3.25Å; P87-K91 WeakPolarHBondContact O-CB 3.26Å; P87-K91 WeakPolarHBondContact O-CG 3.15Å; P87-K91 PolarHBondContact O-N 3.26Å
88K97.6Very high97.4Very high50 Ų5053.7 Ų53.722%0.21727%0.267CS..Hα-helixtrans-60.5-42.2176.7-176.5-175.5-179.8-172.10111V37 R38 E40 L85 V86 V92 L93V37-K88 WeakPolarHBondContact O-CE 3.46Å; V37-K88 PolarHBondContact O-NZ 2.97Å; R38-K88 PolarHBondContact O-NZ 3.44Å; E40-K88 VanDerWaalsContact OE1-CE 3.3Å; E40-K88 WeakPolarHBondContact OE1-CE 3.35Å; E40-K88 IonicContact OE1-NZ 3.96Å; E40-K88 PolarHBondContact OE1-NZ 2.88Å; L85-K88 WeakPolarHBondContact O-CB 3.24Å; L85-K88 PolarHBondContact O-N 3.37Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 3.22Å; K88-V92 HydrophobicContact CG-CB 4.21Å; K88-V92 HydrophobicContact CG-CG2 4.34Å; K88-V92 WeakPolarHBondContact O-CA 3.45Å; K88-V92 VanDerWaalsContact O-CB 3.26Å; K88-V92 WeakPolarHBondContact O-CB 3.32Å; K88-V92 PolarHBondContact O-N 2.85Å; K88-L93 PolarHBondContact O-N 3.17Å; K88-L93 VanDerWaalsContact O-N 3.08Å
89L97.7Very high97.2Very high0 Ų056.5 Ų56.50%029%0.286CS..Iπ-helixtrans-58.8-51.3178.4179.967000111.7L59 I60 A63 A76 L80 L85 V86 P87 L93 A94L59-L89 HydrophobicContact CD1-CD2 3.84Å; L59-L89 HydrophobicContact CD2-CD1 4.26Å; L59-L89 HydrophobicContact CD2-CD2 4.14Å; L59-L89 HydrophobicContact CG-CD1 4.15Å; L59-L89 HydrophobicContact CG-CD2 3.86Å; I60-L89 HydrophobicContact CD1-CD1 3.8Å; A63-L89 HydrophobicContact CB-CD1 3.99Å; A63-L89 HydrophobicContact CB-CD2 4.1Å; A63-L89 HydrophobicContact CB-CG 3.71Å; A76-L89 HydrophobicContact CB-CD2 3.88Å; L80-L89 HydrophobicContact CD1-CB 4.32Å; L80-L89 HydrophobicContact CD1-CD2 4.03Å; L85-L89 PolarHBondContact O-N 2.97Å; V86-L89 WeakPolarHBondContact O-CB 3.4Å; V86-L89 PolarHBondContact O-N 2.94Å; P87-L89 VanDerWaalsContact C-N 3.3Å; P87-L89 PolarHBondContact O-N 3.5Å; L89-L93 HydrophobicContact CD1-CB 4.43Å; L89-L93 HydrophobicContact CD1-CD1 4.16Å; L89-L93 PolarHBondContact O-N 3.26Å; L89-A94 PolarHBondContact O-N 3.3Å
90F97.8Very high97Very high20 Ų2059.4 Ų59.49%0.08830%0.301CS..Iπ-helixtrans-78.9-36.1-176.1-72.4-76.8000114A63 G66 D67 A72 M73 A76 V86 P87 P95A63-F90 HydrophobicContact CB-CD1 4.22Å; A63-F90 HydrophobicContact CB-CE1 4.21Å; A63-F90 WeakPolarHBondContact O-CD1 3.49Å; G66-F90 VanDerWaalsContact O-CE1 3.3Å; G66-F90 WeakPolarHBondContact O-CE1 3.45Å; D67-F90 HydrophobicContact CB-CB 4.38Å; D67-F90 HydrophobicContact CB-CD1 4.08Å; D67-F90 HydrophobicContact CB-CE1 4.49Å; D67-F90 HydrophobicContact CB-CG 4.1Å; A72-F90 HydrophobicContact CB-CE1 4.1Å; A72-F90 HydrophobicContact CB-CZ 4.09Å; M73-F90 HydrophobicContact CE-CE2 4.12Å; M73-F90 HydrophobicContact SD-CE2 4.36Å; A76-F90 HydrophobicContact CB-CE2 3.79Å; A76-F90 HydrophobicContact CB-CZ 4.09Å; V86-F90 HydrophobicContact CG1-CD2 3.9Å; V86-F90 HydrophobicContact CG1-CE2 3.79Å; V86-F90 WeakPolarHBondContact O-CD2 3.37Å; V86-F90 PolarHBondContact O-N 2.76Å; P87-F90 PolarHBondContact O-N 2.94Å; F90-P95 VanDerWaalsContact O-CD 3.29Å; F90-P95 WeakPolarHBondContact O-CD 3.15Å
91K97.4Very high96.8Very high155 Ų15564.1 Ų64.167%0.67433%0.334SS*.Iπ-helixtrans-93.4-24-173.6-61.3-176.2176.6-175.90114P87P87-K91 VanDerWaalsContact O-CB 3.25Å; P87-K91 WeakPolarHBondContact O-CB 3.26Å; P87-K91 WeakPolarHBondContact O-CG 3.15Å; P87-K91 PolarHBondContact O-N 3.26Å
92V97.3Very high96.6Very high66 Ų6666.1 Ų66.140%0.435%0.346SS..Iπ-helixtrans-113.7-54.3-176.3-176.70000111.2K88 R96K88-V92 HydrophobicContact CG-CB 4.21Å; K88-V92 HydrophobicContact CG-CG2 4.34Å; K88-V92 WeakPolarHBondContact O-CA 3.45Å; K88-V92 VanDerWaalsContact O-CB 3.26Å; K88-V92 WeakPolarHBondContact O-CB 3.32Å; K88-V92 PolarHBondContact O-N 2.85Å; V92-R96 VanDerWaalsContact O-CB 3.31Å; V92-R96 WeakPolarHBondContact O-CB 3.44Å; V92-R96 PolarHBondContact O-N 2.89Å
93L97.5Very high96.4Very high0 Ų064 Ų640%034%0.34CS..Iπ-helixtrans-76.8-42.4-173.1-63.9179.2000112.7V37 I60 K88 L89 R96 F97 Y126V37-L93 HydrophobicContact CG1-CD1 4Å; V37-L93 HydrophobicContact CG2-CD1 4.41Å; I60-L93 HydrophobicContact CD1-CB 3.92Å; I60-L93 HydrophobicContact CD1-CD1 4.37Å; K88-L93 PolarHBondContact O-N 3.17Å; K88-L93 VanDerWaalsContact O-N 3.08Å; L89-L93 HydrophobicContact CD1-CB 4.43Å; L89-L93 HydrophobicContact CD1-CD1 4.16Å; L89-L93 PolarHBondContact O-N 3.26Å; L93-R96 WeakPolarHBondContact O-CB 3.26Å; L93-R96 PolarHBondContact O-N 2.83Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 PolarHBondContact O-N 2.83Å; L93-Y126 HydrophobicContact CD1-CD2 4.32Å; L93-Y126 HydrophobicContact CD1-CE2 4.04Å
94A96.9Very high96.4Very high9 Ų959.2 Ų59.27%0.07432%0.319CS..Hα-helixtrans-62.8-47.918000000113A63 K64 L89 R96 F97 E98A63-A94 HydrophobicContact CB-CB 3.93Å; K64-A94 HydrophobicContact CG-CB 4.37Å; L89-A94 PolarHBondContact O-N 3.3Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.9Å; A94-F97 CarbonylContact O-C 3.57Å; A94-F97 PolarHBondContact O-N 3.09Å; A94-F97 VanDerWaalsContact O-N 3.15Å; A94-E98 PolarHBondContact O-N 2.93Å
95P97.1Very high96.4Very high69 Ų6954.5 Ų54.545%0.44829%0.294SS..Hα-helixtrans-64-37.2176.3-24.836.8000112.7F90 F97 E98F90-P95 VanDerWaalsContact O-CD 3.29Å; F90-P95 WeakPolarHBondContact O-CD 3.15Å; P95-F97 PolarHBondContact O-N 3.33Å; P95-F97 VanDerWaalsContact O-N 3.11Å; P95-E98 WeakPolarHBondContact O-CB 3.44Å; P95-E98 PolarHBondContact O-N 3Å; P95-E98 VanDerWaalsContact O-N 3.16Å
96R97.1Very high96.3Very high75 Ų7558.5 Ų58.528%0.28331%0.309SS..Hα-helixtrans-55.2-32.6175.3-173.6-170.5-62.5-178.73.4112.3E40 V92 L93 A94 K127 G128E40-R96 IonicContact OE1-CZ 3.06Å; E40-R96 IonicContact OE1-NH1 3.15Å; E40-R96 IonicContact OE1-NH2 3.92Å; E40-R96 PolarHBondContact OE1-NH2 3.32Å; E40-R96 VanDerWaalsContact OE1-NH2 3.15Å; E40-R96 IonicContact OE2-CZ 2.86Å; E40-R96 IonicContact OE2-NH1 3.29Å; E40-R96 PolarHBondContact OE2-NH1 3.3Å; E40-R96 IonicContact OE2-NH2 3.52Å; E40-R96 PolarHBondContact OE2-NH2 2.99Å; V92-R96 VanDerWaalsContact O-CB 3.31Å; V92-R96 WeakPolarHBondContact O-CB 3.44Å; V92-R96 PolarHBondContact O-N 2.89Å; L93-R96 WeakPolarHBondContact O-CB 3.26Å; L93-R96 PolarHBondContact O-N 2.83Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.9Å; R96-K127 WeakPolarHBondContact CD-O 3.28Å; R96-G128 PolarHBondContact NH1-O 2.93Å
97F97.3Very high96.3Very high3 Ų360.1 Ų60.11%0.01332%0.316CS..THydrogen-bonded Turntrans-107.115.6-176.9-62.4-53.8000114.4I60 K64 L93 A94 P95 N99 H100 Y104 Y126 K127I60-F97 HydrophobicContact CD1-CD2 4.24Å; I60-F97 HydrophobicContact CD1-CE2 4.44Å; I60-F97 HydrophobicContact CG1-CD2 4.44Å; I60-F97 HydrophobicContact CG2-CB 4.1Å; I60-F97 HydrophobicContact CG2-CD2 3.93Å; I60-F97 HydrophobicContact CG2-CG 4.38Å; K64-F97 PolarHBondContact NZ-O 2.93Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 PolarHBondContact O-N 2.83Å; A94-F97 CarbonylContact O-C 3.57Å; A94-F97 PolarHBondContact O-N 3.09Å; A94-F97 VanDerWaalsContact O-N 3.15Å; P95-F97 PolarHBondContact O-N 3.33Å; P95-F97 VanDerWaalsContact O-N 3.11Å; F97-N99 VanDerWaalsContact C-N 3.34Å; F97-N99 PolarHBondContact O-N 3.47Å; F97-H100 PolarHBondContact O-N 3.34Å; F97-H100 VanDerWaalsContact O-N 3.07Å; F97-Y104 HydrophobicContact CB-CD1 3.58Å; F97-Y104 HydrophobicContact CB-CE1 3.84Å; F97-Y104 AromaticContact CD1-CD1 3.89Å; F97-Y104 HydrophobicContact CD1-CD1 3.89Å; F97-Y104 HydrophobicContact CD2-CD1 4.2Å; F97-Y104 HydrophobicContact CD2-CG 4.42Å; F97-Y104 AromaticContact CG-CD1 3.62Å; F97-Y104 HydrophobicContact CG-CD1 3.62Å; F97-Y104 HydrophobicContact CG-CE1 4.38Å; F97-Y104 HydrophobicContact CG-CG 4.26Å; F97-Y126 AromaticContact CE2-CD1 3.94Å; F97-Y126 HydrophobicContact CE2-CD1 3.94Å; F97-Y126 HydrophobicContact CE2-CG 4.38Å; F97-Y126 HydrophobicContact CZ-CD1 4.17Å; F97-Y126 HydrophobicContact CZ-CG 4.49Å; F97-K127 HydrophobicContact CE1-CB 4.03Å; F97-K127 WeakPolarHBondContact CE1-O 3.35Å; F97-K127 HydrophobicContact CZ-CB 4.49Å; F97-K127 VanDerWaalsContact CZ-O 3.26Å; F97-K127 WeakPolarHBondContact CZ-O 3.42Å
98E94.8Very high96.2Very high136 Ų13657.1 Ų57.164%0.63630%0.297SS*.THydrogen-bonded Turntrans-56.5-47.4-177.9-171.2169.6-169.900112.1K64 A94 P95 H100K64-E98 PolarHBondContact NZ-O 3.35Å; A94-E98 PolarHBondContact O-N 2.93Å; P95-E98 WeakPolarHBondContact O-CB 3.44Å; P95-E98 PolarHBondContact O-N 3Å; P95-E98 VanDerWaalsContact O-N 3.16Å; E98-H100 PolarHBondContact O-N 2.93Å
99N94.5Very high96.1Very high158 Ų15861.8 Ų61.885%0.84531%0.313SS*.THydrogen-bonded Turntrans-75.6-6.8179.7-63.7-35.7000114.5F97F97-N99 VanDerWaalsContact C-N 3.34Å; F97-N99 PolarHBondContact O-N 3.47Å
100H94.4Very high96Very high86 Ų8663.8 Ų63.840%0.39832%0.323SS..  trans-99.6125.9179.8-67.2-78.1000110.3K64 F97 E98 Y104K64-H100 PolarHBondContact NZ-O 3.31Å; F97-H100 PolarHBondContact O-N 3.34Å; F97-H100 VanDerWaalsContact O-N 3.07Å; E98-H100 PolarHBondContact O-N 2.93Å; H100-Y104 HydrophobicContact CB-CD1 4.07Å; H100-Y104 HydrophobicContact CB-CE1 3.91Å; H100-Y104 WeakPolarHBondContact O-CE1 3.4Å
101S92.6Very high95.9Very high99 Ų9967.6 Ų67.669%0.69235%0.35SS*.SBendtrans-82.3-30.5174.559.10000112.9Y104S101-Y104 PolarHBondContact O-OH 2.99Å
102T93Very high95.9Very high99 Ų9963 Ų6361%0.60733%0.333SS*.SBendtrans-153.8169-177.156.80000110.9
103G94.6Very high95.8Very high16 Ų1664.1 Ų64.117%0.16533%0.33CS..  trans71.448170.100000113.6T105 K127G103-T105 VanDerWaalsContact C-N 3.29Å; G103-K127 VanDerWaalsContact O-CD 3.31Å; G103-K127 WeakPolarHBondContact O-CD 3.49Å; G103-K127 WeakPolarHBondContact O-CE 3.47Å; G103-K127 PolarHBondContact O-NZ 3.44Å
104Y97.3Very high95.4Very high5 Ų571.7 Ų71.72%0.0237%0.365CS..  trans-71.8-25.5177.6-43.7-64.3000113.1E57 I60 D61 K64 F97 H100 S101 K127E57-Y104 HydrophobicContact CB-CD2 4.19Å; E57-Y104 HydrophobicContact CG-CD2 4.2Å; I60-Y104 HydrophobicContact CB-CD2 3.76Å; I60-Y104 HydrophobicContact CB-CE2 3.95Å; I60-Y104 HydrophobicContact CB-CG 4.18Å; I60-Y104 HydrophobicContact CG1-CD2 4.3Å; I60-Y104 HydrophobicContact CG1-CG 4.45Å; I60-Y104 HydrophobicContact CG2-CD1 3.97Å; I60-Y104 HydrophobicContact CG2-CD2 3.77Å; I60-Y104 HydrophobicContact CG2-CE1 3.99Å; I60-Y104 HydrophobicContact CG2-CE2 3.8Å; I60-Y104 HydrophobicContact CG2-CG 3.83Å; D61-Y104 VanDerWaalsContact OD1-CE2 3.22Å; D61-Y104 WeakPolarHBondContact OD1-CE2 3.4Å; D61-Y104 PolarHBondContact OD1-OH 3.45Å; K64-Y104 HydrophobicContact CD-CE1 4.5Å; F97-Y104 HydrophobicContact CB-CD1 3.58Å; F97-Y104 HydrophobicContact CB-CE1 3.84Å; F97-Y104 AromaticContact CD1-CD1 3.89Å; F97-Y104 HydrophobicContact CD1-CD1 3.89Å; F97-Y104 HydrophobicContact CD2-CD1 4.2Å; F97-Y104 HydrophobicContact CD2-CG 4.42Å; F97-Y104 AromaticContact CG-CD1 3.62Å; F97-Y104 HydrophobicContact CG-CD1 3.62Å; F97-Y104 HydrophobicContact CG-CE1 4.38Å; F97-Y104 HydrophobicContact CG-CG 4.26Å; H100-Y104 HydrophobicContact CB-CD1 4.07Å; H100-Y104 HydrophobicContact CB-CE1 3.91Å; H100-Y104 WeakPolarHBondContact O-CE1 3.4Å; S101-Y104 PolarHBondContact O-OH 2.99Å; Y104-K127 PolarHBondContact O-N 2.96Å
105T97.3Very high94.9Very high3 Ų378.6 Ų78.62%0.01840%0.401CS..EExtended strand (participates in β ladder)trans-102.7154.2-178.660.30000111.6R53 A56 E57 G103 L124 E125 Y126R53-T105 VanDerWaalsContact CG-OG1 3.3Å; R53-T105 WeakPolarHBondContact CG-OG1 3.47Å; A56-T105 HydrophobicContact CB-CG2 3.99Å; E57-T105 PolarHBondContact OE1-OG1 3.17Å; G103-T105 VanDerWaalsContact C-N 3.29Å; T105-L124 HydrophobicContact CG2-CD1 4.46Å; T105-E125 CarbonylContact C-O 3.57Å; T105-E125 WeakPolarHBondContact CA-O 3.38Å; T105-Y126 HydrophobicContact CG2-CD1 3.81Å; T105-Y126 HydrophobicContact CG2-CE1 3.7Å
106R95.6Very high94.5Very high94 Ų9482 Ų8236%0.35541%0.414SS..EExtended strand (participates in β ladder)trans-123.1138.1166.9-176.4-176.2-69.7143.8-9.1108.2E125 Y135R106-E125 HydrophobicContact CB-CG 3.88Å; R106-E125 WeakPolarHBondContact CD-OE1 3.45Å; R106-E125 PolarHBondContact N-O 3.37Å; R106-E125 IonicContact NH1-OE1 3.28Å; R106-E125 PolarHBondContact NH1-OE1 3.26Å; R106-E125 VanDerWaalsContact NH1-OE1 3.15Å; R106-E125 PolarHBondContact O-N 2.95Å; R106-Y135 HydrophobicContact CG-CE2 4.44Å
107M96.3Very high94.3Very high50 Ų5082.6 Ų82.625%0.24642%0.423CS..EExtended strand (participates in β ladder)trans-121131.2175.3-175.8177.964.800109.4A49 A122 V123 L124A49-M107 HydrophobicContact CB-SD 4.01Å; M107-A122 HydrophobicContact CG-CB 4.13Å; M107-A122 HydrophobicContact SD-CB 4.33Å; M107-V123 CarbonylContact C-O 3.56Å; M107-V123 VanDerWaalsContact CA-O 3.28Å; M107-V123 WeakPolarHBondContact CA-O 3.46Å; M107-L124 HydrophobicContact CB-CD1 4.19Å
108A95.9Very high94.2Very high6 Ų691.6 Ų91.65%0.0546%0.457CS..EExtended strand (participates in β ladder)trans-121136.9175.600000110.1A122 V123 L134 Y135A108-A122 CarbonylContact O-C 3.47Å; A108-A122 WeakPolarHBondContact O-CA 3.43Å; A108-A122 WeakPolarHBondContact O-CB 3.19Å; A108-V123 PolarHBondContact N-O 2.96Å; A108-V123 PolarHBondContact O-N 3.3Å; A108-L134 HydrophobicContact CB-CD1 4.07Å; A108-Y135 VanDerWaalsContact CA-OH 3.26Å; A108-Y135 WeakPolarHBondContact CA-OH 3.23Å; A108-Y135 HydrophobicContact CB-CE1 4.48Å; A108-Y135 HydrophobicContact CB-CE2 3.94Å; A108-Y135 WeakPolarHBondContact CB-OH 3.33Å
109R95.8Very high94.2Very high149 Ų14986.1 Ų86.156%0.56244%0.435SS*.EExtended strand (participates in β ladder)trans-78.2132170.8-174.6177.8-179.8-172.6-1.1108.7
110I95.6Very high94.4Very high42 Ų4282.9 Ų82.922%0.21542%0.415CS..EExtended strand (participates in β ladder)trans-112.2167.4173.553.4163.9000109.7E43 M121 V123E43-I110 HydrophobicContact CG-CD1 4.3Å; I110-M121 HydrophobicContact CD1-CB 3.6Å; I110-M121 HydrophobicContact CG1-CB 3.5Å; I110-M121 VanDerWaalsContact CG1-CB 3.5Å; I110-M121 PolarHBondContact N-O 3.47Å; I110-V123 HydrophobicContact CD1-CG2 4.15Å; I110-V123 HydrophobicContact CG1-CG2 4.42Å; I110-V123 HydrophobicContact CG2-CG2 3.48Å; I110-V123 VanDerWaalsContact CG2-CG2 3.48Å
111P95.3Very high94.5Very high99 Ų9979.5 Ų79.564%0.64340%0.399SS*.  trans-51.7153.5174.8-27.937000112.2
112N96.9Very high94.8Very high59 Ų5974.8 Ų74.832%0.31637%0.367SS..  trans-62.8150174.8-70.12000109.7E114 R118 A119N112-E114 PolarHBondContact O-N 3.29Å; N112-E114 VanDerWaalsContact O-N 3.08Å; N112-R118 WeakPolarHBondContact CB-O 3.27Å; N112-R118 PolarHBondContact ND2-O 3.09Å; N112-A119 VanDerWaalsContact CA-O 3.26Å; N112-A119 WeakPolarHBondContact CA-O 3.32Å
113R95.7Very high95Very high90 Ų9070.2 Ų70.234%0.3434%0.339SS..  trans-60.9115.3-180-174.7-176.4-66.9144.9-11.7110.9D117 R118 A119 M121R113-D117 WeakPolarHBondContact CD-OD1 3.42Å; R113-D117 IonicContact CZ-OD1 2.66Å; R113-D117 IonicContact NH1-OD1 3Å; R113-D117 PolarHBondContact NH1-OD1 3.46Å; R113-D117 IonicContact NH1-OD2 3.14Å; R113-D117 PolarHBondContact NH1-OD2 2.93Å; R113-D117 VanDerWaalsContact NH1-OD2 3.14Å; R113-R118 WeakPolarHBondContact O-CA 3.3Å; R113-R118 PolarHBondContact O-N 3.29Å; R113-A119 PolarHBondContact N-O 3.13Å; R113-M121 HydrophobicContact CB-CG 4.06Å; R113-M121 HydrophobicContact CB-SD 4.49Å
114E89.7Confident95.2Very high158 Ų15869.5 Ų69.574%0.73833%0.331SS*.THydrogen-bonded Turntrans-72.5-38.3-169.6-63.9-176.8164.400113.4N112N112-E114 PolarHBondContact O-N 3.29Å; N112-E114 VanDerWaalsContact O-N 3.08Å
115N86.2Confident95.2Very high154 Ų15469.2 Ų69.282%0.82433%0.33SS*.THydrogen-bonded Turntrans-101.520-164.3-61.5-23.9000115.6
116L88.1Confident95.2Very high140 Ų14069.1 Ų69.173%0.73333%0.329SS*.THydrogen-bonded Turntrans-151.5-87.1-177.2-168.970.1000113.6
117D94.1Very high95.2Very high89 Ų8968 Ų6848%0.47633%0.327SS..THydrogen-bonded Turntrans-1151.5-166.657.4-9.1000112.9R113 A119R113-D117 WeakPolarHBondContact CD-OD1 3.42Å; R113-D117 IonicContact CZ-OD1 2.66Å; R113-D117 IonicContact NH1-OD1 3Å; R113-D117 PolarHBondContact NH1-OD1 3.46Å; R113-D117 IonicContact NH1-OD2 3.14Å; R113-D117 PolarHBondContact NH1-OD2 2.93Å; R113-D117 VanDerWaalsContact NH1-OD2 3.14Å; D117-A119 PolarHBondContact O-N 3.39Å; D117-A119 WeakPolarHBondContact OD1-CB 3.46Å; D117-A119 PolarHBondContact OD1-N 3.38Å; D117-A119 WeakPolarHBondContact OD2-CB 3.41Å
118R94.4Very high95.1Very high191 Ų19168.5 Ų68.572%0.72135%0.345SS*.  trans50.329.8-173.2-54.9-175.283.4-172.16.9112.6N112 R113N112-R118 WeakPolarHBondContact CB-O 3.27Å; N112-R118 PolarHBondContact ND2-O 3.09Å; R113-R118 WeakPolarHBondContact O-CA 3.3Å; R113-R118 PolarHBondContact O-N 3.29Å
119A95.9Very high95.1Very high21 Ų2169.1 Ų69.117%0.17435%0.348CS..  trans-60.8143.3179.600000110.7T45 N112 R113 D117 M121T45-A119 HydrophobicContact CG2-CB 4.26Å; N112-A119 VanDerWaalsContact CA-O 3.26Å; N112-A119 WeakPolarHBondContact CA-O 3.32Å; R113-A119 PolarHBondContact N-O 3.13Å; D117-A119 PolarHBondContact O-N 3.39Å; D117-A119 WeakPolarHBondContact OD1-CB 3.46Å; D117-A119 PolarHBondContact OD1-N 3.38Å; D117-A119 WeakPolarHBondContact OD2-CB 3.41Å; A119-M121 WeakPolarHBondContact O-CG 3.39Å; A119-M121 PolarHBondContact O-N 3.03Å
120Q97.1Very high95Very high91 Ų9167.4 Ų67.443%0.42536%0.356SS..  trans-68.5120.7171.9-66.2-173-300109.4T45 R46T45-Q120 CarbonylContact C-O 3.58Å; T45-Q120 WeakPolarHBondContact CA-O 3.34Å; R46-Q120 HydrophobicContact CB-CB 4.17Å; R46-Q120 PolarHBondContact N-O 3.12Å
121M97.3Very high94.9Very high14 Ų1469.8 Ų69.87%0.06937%0.365CS..EExtended strand (participates in β ladder)trans-107.3155.8-176.4-63.5-61.4-68.400111.3T44 T45 I110 R113 A119T44-M121 VanDerWaalsContact C-CE 3.47Å; T44-M121 WeakPolarHBondContact O-CA 3.48Å; T44-M121 WeakPolarHBondContact O-CE 3.14Å; T45-M121 HydrophobicContact CG2-SD 3.94Å; I110-M121 HydrophobicContact CD1-CB 3.6Å; I110-M121 HydrophobicContact CG1-CB 3.5Å; I110-M121 VanDerWaalsContact CG1-CB 3.5Å; I110-M121 PolarHBondContact N-O 3.47Å; R113-M121 HydrophobicContact CB-CG 4.06Å; R113-M121 HydrophobicContact CB-SD 4.49Å; A119-M121 WeakPolarHBondContact O-CG 3.39Å; A119-M121 PolarHBondContact O-N 3.03Å
122A97.9Very high94.8Very high1 Ų169.9 Ų69.91%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-145.8147.4174.200000110.5T44 R46 A49 M107 A108T44-A122 PolarHBondContact N-O 3.12Å; T44-A122 PolarHBondContact O-N 3.19Å; T44-A122 VanDerWaalsContact O-O 3.07Å; R46-A122 HydrophobicContact CB-CB 4.19Å; R46-A122 HydrophobicContact CG-CB 4.39Å; A49-A122 HydrophobicContact CB-CB 4.02Å; M107-A122 HydrophobicContact CG-CB 4.13Å; M107-A122 HydrophobicContact SD-CB 4.33Å; A108-A122 CarbonylContact O-C 3.47Å; A108-A122 WeakPolarHBondContact O-CA 3.43Å; A108-A122 WeakPolarHBondContact O-CB 3.19Å
123V97.9Very high94.5Very high3 Ų371.1 Ų71.12%0.01838%0.376CS..EExtended strand (participates in β ladder)trans-93.7130.8167.4179.90000107.7R41 I42 E43 M107 A108 I110 L134R41-V123 HydrophobicContact CG-CG1 3.61Å; I42-V123 CarbonylContact O-C 3.51Å; I42-V123 VanDerWaalsContact O-CA 3.31Å; I42-V123 WeakPolarHBondContact O-CA 3.41Å; E43-V123 HydrophobicContact CG-CG2 3.74Å; M107-V123 CarbonylContact C-O 3.56Å; M107-V123 VanDerWaalsContact CA-O 3.28Å; M107-V123 WeakPolarHBondContact CA-O 3.46Å; A108-V123 PolarHBondContact N-O 2.96Å; A108-V123 PolarHBondContact O-N 3.3Å; I110-V123 HydrophobicContact CD1-CG2 4.15Å; I110-V123 HydrophobicContact CG1-CG2 4.42Å; I110-V123 HydrophobicContact CG2-CG2 3.48Å; I110-V123 VanDerWaalsContact CG2-CG2 3.48Å; V123-L134 HydrophobicContact CB-CD1 4.1Å; V123-L134 HydrophobicContact CG1-CD1 3.6Å; V123-L134 HydrophobicContact CG1-CD2 4.25Å
124L98Very high94.2Very high0 Ų069.5 Ų69.50%037%0.374CS..EExtended strand (participates in β ladder)trans-116.6129.3171.3-178.866.2000108.8L36 R41 I42 A49 V52 R53 T105 M107L36-L124 HydrophobicContact CD1-CD2 4.47Å; L36-L124 HydrophobicContact CD1-CG 4.15Å; L36-L124 WeakPolarHBondContact CD1-O 3.49Å; L36-L124 HydrophobicContact CD2-CD2 3.77Å; L36-L124 HydrophobicContact CD2-CG 4.14Å; R41-L124 WeakPolarHBondContact CA-O 3.47Å; I42-L124 HydrophobicContact CG1-CB 4.08Å; I42-L124 PolarHBondContact N-O 3.47Å; I42-L124 PolarHBondContact O-N 3.29Å; A49-L124 HydrophobicContact CB-CB 4.43Å; V52-L124 HydrophobicContact CB-CD2 4.22Å; V52-L124 HydrophobicContact CG1-CD2 3.89Å; R53-L124 HydrophobicContact CB-CD1 4.25Å; R53-L124 HydrophobicContact CG-CD1 4.24Å; T105-L124 HydrophobicContact CG2-CD1 4.46Å; M107-L124 HydrophobicContact CB-CD1 4.19Å
125E97.6Very high93.9Very high0 Ų068 Ų680%036%0.363CS..EExtended strand (participates in β ladder)trans-138.6154.6-17967.3175.4-175.500113.1E40 R41 T105 R106 N129 L134E40-E125 CarbonylContact O-C 3.55Å; E40-E125 WeakPolarHBondContact O-CA 3.4Å; E40-E125 WeakPolarHBondContact O-CB 3.39Å; R41-E125 HydrophobicContact CB-CB 4.09Å; R41-E125 HydrophobicContact CG-CB 4.14Å; R41-E125 IonicContact CZ-OE2 2.68Å; R41-E125 IonicContact NE-OE2 3.74Å; R41-E125 PolarHBondContact NE-OE2 3.29Å; R41-E125 IonicContact NH2-OE2 3.12Å; R41-E125 PolarHBondContact NH2-OE2 3.37Å; T105-E125 CarbonylContact C-O 3.57Å; T105-E125 WeakPolarHBondContact CA-O 3.38Å; R106-E125 HydrophobicContact CB-CG 3.88Å; R106-E125 WeakPolarHBondContact CD-OE1 3.45Å; R106-E125 PolarHBondContact N-O 3.37Å; R106-E125 IonicContact NH1-OE1 3.28Å; R106-E125 PolarHBondContact NH1-OE1 3.26Å; R106-E125 VanDerWaalsContact NH1-OE1 3.15Å; R106-E125 PolarHBondContact O-N 2.95Å; E125-N129 PolarHBondContact OE2-ND2 3.13Å; E125-L134 VanDerWaalsContact CD-CD1 3.49Å; E125-L134 HydrophobicContact CG-CD1 4.14Å
126Y98Very high93.7Very high0 Ų065.8 Ų65.80%036%0.357CS..EExtended strand (participates in β ladder)trans-81.6139.3163.7-77.6-58.4000110.3L36 V37 E40 I60 L93 F97 T105 N129L36-Y126 HydrophobicContact CD1-CD2 4.39Å; L36-Y126 HydrophobicContact CD1-CE2 4.48Å; L36-Y126 HydrophobicContact CD2-CE2 3.98Å; L36-Y126 HydrophobicContact CG-CD2 4.08Å; L36-Y126 HydrophobicContact CG-CE2 3.7Å; V37-Y126 HydrophobicContact CG2-CE2 4.09Å; E40-Y126 PolarHBondContact O-N 3.26Å; I60-Y126 HydrophobicContact CD1-CE1 4.06Å; I60-Y126 HydrophobicContact CG1-CE1 3.81Å; L93-Y126 HydrophobicContact CD1-CD2 4.32Å; L93-Y126 HydrophobicContact CD1-CE2 4.04Å; F97-Y126 AromaticContact CE2-CD1 3.94Å; F97-Y126 HydrophobicContact CE2-CD1 3.94Å; F97-Y126 HydrophobicContact CE2-CG 4.38Å; F97-Y126 HydrophobicContact CZ-CD1 4.17Å; F97-Y126 HydrophobicContact CZ-CG 4.49Å; T105-Y126 HydrophobicContact CG2-CD1 3.81Å; T105-Y126 HydrophobicContact CG2-CE1 3.7Å; Y126-N129 WeakPolarHBondContact O-CB 3.33Å; Y126-N129 VanDerWaalsContact O-CG 3.23Å; Y126-N129 PolarHBondContact O-ND2 3.44Å; Y126-N129 PolarHBondContact O-OD1 3.41Å
127K96Very high93.3Very high70 Ų7065.2 Ų65.230%0.30436%0.359SS..THydrogen-bonded Turntrans-66147.2174.8-67.7177.1-179.5172.70110.8R96 F97 G103 Y104 N129R96-K127 WeakPolarHBondContact CD-O 3.28Å; F97-K127 HydrophobicContact CE1-CB 4.03Å; F97-K127 WeakPolarHBondContact CE1-O 3.35Å; F97-K127 HydrophobicContact CZ-CB 4.49Å; F97-K127 VanDerWaalsContact CZ-O 3.26Å; F97-K127 WeakPolarHBondContact CZ-O 3.42Å; G103-K127 VanDerWaalsContact O-CD 3.31Å; G103-K127 WeakPolarHBondContact O-CD 3.49Å; G103-K127 WeakPolarHBondContact O-CE 3.47Å; G103-K127 PolarHBondContact O-NZ 3.44Å; Y104-K127 PolarHBondContact O-N 2.96Å; K127-N129 VanDerWaalsContact C-N 3.28Å; K127-N129 PolarHBondContact O-N 3Å
128G93.5Very high92.8Very high61 Ų6170.1 Ų70.163%0.62938%0.376SS*.THydrogen-bonded Turntrans72.121.8-179.600000113.9R96R96-G128 PolarHBondContact NH1-O 2.93Å
129N95.4Very high92.1Very high20 Ų2070.5 Ų70.511%0.10738%0.383CS..  trans-69.6155.1168.658.6-8.3000110.9E40 E125 Y126 K127 F131E40-N129 HydrophobicContact CB-CB 3.94Å; E40-N129 WeakPolarHBondContact OE2-CA 3.5Å; E40-N129 WeakPolarHBondContact OE2-CB 3.49Å; E125-N129 PolarHBondContact OE2-ND2 3.13Å; Y126-N129 WeakPolarHBondContact O-CB 3.33Å; Y126-N129 VanDerWaalsContact O-CG 3.23Å; Y126-N129 PolarHBondContact O-ND2 3.44Å; Y126-N129 PolarHBondContact O-OD1 3.41Å; K127-N129 VanDerWaalsContact C-N 3.28Å; K127-N129 PolarHBondContact O-N 3Å; N129-F131 HydrophobicContact CB-CD2 3.97Å; N129-F131 PolarHBondContact O-N 3.16Å; N129-F131 VanDerWaalsContact O-N 3.1Å
130P93.8Very high91.4Very high112 Ų11278.2 Ų78.273%0.72742%0.415SS*.SBendtrans-77.510.1-175.332.6-37.6000114.1
131F93.9Very high91.1Very high93 Ų9378.1 Ų78.141%0.40842%0.418SS..SBendtrans-91.7158.5-175.3-60.3-67.2000111.9H39 E40 R41 N129H39-F131 WeakPolarHBondContact O-CE2 3.31Å; E40-F131 HydrophobicContact CB-CE2 4.36Å; R41-F131 HydrophobicContact CB-CD2 4.21Å; R41-F131 HydrophobicContact CB-CE2 4.31Å; N129-F131 HydrophobicContact CB-CD2 3.97Å; N129-F131 PolarHBondContact O-N 3.16Å; N129-F131 VanDerWaalsContact O-N 3.1Å
132P93.1Very high90.6Very high100 Ų10084 Ų8465%0.64945%0.445SS*.PPolyproline II helixtrans-53.2139.2171.2-25.634.4000111.3R41 L134R41-P132 PolarHBondContact NH1-O 3.24Å; R41-P132 VanDerWaalsContact NH1-O 3.09Å; R41-P132 PolarHBondContact NH2-O 2.88Å; P132-L134 PolarHBondContact O-N 3.48Å
133P91.6Very high90.4Very high85 Ų8590.5 Ų90.555%0.55248%0.479SS*.PPolyproline II helixtrans-63.7133.8-178.626.7-34.1000110.6Y135P133-Y135 VanDerWaalsContact C-N 3.34Å; P133-Y135 PolarHBondContact O-N 3.48Å
134L88Confident90.3Very high57 Ų5793 Ų9330%0.29849%0.494SS..SBendtrans-64.1-39.6-179.2-68.4175.5000112.8A108 V123 E125 P132A108-L134 HydrophobicContact CB-CD1 4.07Å; V123-L134 HydrophobicContact CB-CD1 4.1Å; V123-L134 HydrophobicContact CG1-CD1 3.6Å; V123-L134 HydrophobicContact CG1-CD2 4.25Å; E125-L134 VanDerWaalsContact CD-CD1 3.49Å; E125-L134 HydrophobicContact CG-CD1 4.14Å; P132-L134 PolarHBondContact O-N 3.48Å
135Y83.8Confident90.1Very high125 Ų12599.3 Ų99.349%0.4953%0.528SS..SBendtrans-98.9125.5175.3-62.4-70.4000108.4R106 A108 P133 V137R106-Y135 HydrophobicContact CG-CE2 4.44Å; A108-Y135 VanDerWaalsContact CA-OH 3.26Å; A108-Y135 WeakPolarHBondContact CA-OH 3.23Å; A108-Y135 HydrophobicContact CB-CE1 4.48Å; A108-Y135 HydrophobicContact CB-CE2 3.94Å; A108-Y135 WeakPolarHBondContact CB-OH 3.33Å; P133-Y135 VanDerWaalsContact C-N 3.34Å; P133-Y135 PolarHBondContact O-N 3.48Å; Y135-V137 PolarHBondContact O-N 3.43Å
136P82.6Confident90Very high109 Ų109105.1 Ų105.171%0.70856%0.557SS**  trans-60.1134.9170.626.6-32.8000108.3K138P136-K138 PolarHBondContact O-N 3.44Å
137V79.6Confident89.9Confident128 Ų128108.1 Ų108.178%0.77657%0.573SS**  trans-63.2109.8174.6-178.60000107.2Y135 K139Y135-V137 PolarHBondContact O-N 3.43Å; V137-K139 PolarHBondContact O-N 2.95Å
138K83.1Confident89.9Confident191 Ų191108.3 Ų108.383%0.8358%0.575SS**PPolyproline II helixtrans-66119.2172.7-71.9-174.3178.2-176.90107.5P136 E140P136-K138 PolarHBondContact O-N 3.44Å; K138-E140 PolarHBondContact O-N 3.17Å
139K80.1Confident90.1Very high199 Ų199110.9 Ų110.987%0.86557%0.574SS**PPolyproline II helixtrans-72.5116.6170.9-65.4-176.4179.5-178.40107.6V137 N141V137-K139 PolarHBondContact O-N 2.95Å; K139-N141 PolarHBondContact O-N 3.03Å
140E81.1Confident90.1Very high183 Ų183113.7 Ų113.786%0.85559%0.589SS**PPolyproline II helixtrans-70.1118.6170.7-65.7-169.5172.800108K138K138-E140 PolarHBondContact O-N 3.17Å
141N89.9Confident90.2Very high90 Ų90113 Ų11348%0.48157%0.574SS.*  trans-98.4107174.2-176.70.5000108.5K139 L143 T144 N147K139-N141 PolarHBondContact O-N 3.03Å; N141-L143 PolarHBondContact O-N 3.49Å; N141-L143 VanDerWaalsContact OD1-CB 3.32Å; N141-L143 WeakPolarHBondContact OD1-CB 3.02Å; N141-L143 PolarHBondContact OD1-N 3.29Å; N141-T144 HydrophobicContact CB-CG2 4Å; N141-T144 WeakPolarHBondContact O-CG2 3.27Å; N141-T144 PolarHBondContact O-N 3.33Å; N141-T144 PolarHBondContact O-OG1 3.07Å; N141-N147 PolarHBondContact O-ND2 3.4Å
142E88.4Confident90.4Very high136 Ų136109.7 Ų109.764%0.63657%0.567SS**THydrogen-bonded Turntrans-61.8-26.8177.6-64.4-171.3176.600112T144 N147 Q148E142-T144 PolarHBondContact O-N 2.69Å; E142-N147 WeakPolarHBondContact O-CB 3.32Å; E142-Q148 WeakPolarHBondContact O-CG 3.25Å; E142-Q148 PolarHBondContact O-NE2 3Å
143L93.6Very high90.6Very high138 Ų138111 Ų11172%0.72356%0.56SS**THydrogen-bonded Turntrans-82.14.1-177.7-54.8174000113.4N141N141-L143 PolarHBondContact O-N 3.49Å; N141-L143 VanDerWaalsContact OD1-CB 3.32Å; N141-L143 WeakPolarHBondContact OD1-CB 3.02Å; N141-L143 PolarHBondContact OD1-N 3.29Å
144T94.8Very high90.8Very high56 Ų56115.7 Ų115.734%0.34457%0.566SS.*SBendtrans-63.4143.8167.959.50000109.4N141 E142 I146 N147 Q148N141-T144 HydrophobicContact CB-CG2 4Å; N141-T144 WeakPolarHBondContact O-CG2 3.27Å; N141-T144 PolarHBondContact O-N 3.33Å; N141-T144 PolarHBondContact O-OG1 3.07Å; E142-T144 PolarHBondContact O-N 2.69Å; T144-I146 PolarHBondContact O-N 3.29Å; T144-N147 PolarHBondContact O-N 2.82Å; T144-N147 VanDerWaalsContact OG1-CB 3.27Å; T144-N147 WeakPolarHBondContact OG1-CB 3.42Å; T144-N147 PolarHBondContact OG1-N 2.89Å; T144-N147 PolarHBondContact OG1-ND2 2.84Å; T144-N147 VanDerWaalsContact OG1-ND2 3.07Å; T144-Q148 PolarHBondContact O-N 3.08Å
145L94.7Very high91.2Very high133 Ų133117 Ų11770%0.69657%0.571SS**Hα-helixtrans-51.2-44179.7-18062.2000111.5N147 Q148 L149L145-N147 PolarHBondContact O-N 2.8Å; L145-Q148 PolarHBondContact O-N 3.01Å; L145-L149 HydrophobicContact CD1-CD1 4.12Å; L145-L149 HydrophobicContact CD1-CG 4.24Å; L145-L149 HydrophobicContact CG-CD1 3.97Å; L145-L149 HydrophobicContact CG-CG 4.48Å; L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.25Å
146I95.5Very high91.9Very high121 Ų121117.2 Ų117.262%0.62158%0.576SS**Hα-helixtrans-61.9-46.3179.2-61.5172.9000111.1T144 L149 L150T144-I146 PolarHBondContact O-N 3.29Å; I146-L149 PolarHBondContact O-N 3.14Å; I146-L150 HydrophobicContact CG2-CD1 3.92Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.13Å; I146-L150 PolarHBondContact O-N 3Å
147N95Very high92.6Very high63 Ų63117.9 Ų117.934%0.33757%0.565SS.*Hα-helixtrans-69.1-37.2-178.2-71-14000112.1N141 E142 T144 L145 L150 K151N141-N147 PolarHBondContact O-ND2 3.4Å; E142-N147 WeakPolarHBondContact O-CB 3.32Å; T144-N147 PolarHBondContact O-N 2.82Å; T144-N147 VanDerWaalsContact OG1-CB 3.27Å; T144-N147 WeakPolarHBondContact OG1-CB 3.42Å; T144-N147 PolarHBondContact OG1-N 2.89Å; T144-N147 PolarHBondContact OG1-ND2 2.84Å; T144-N147 VanDerWaalsContact OG1-ND2 3.07Å; L145-N147 PolarHBondContact O-N 2.8Å; N147-L150 PolarHBondContact O-N 2.78Å; N147-K151 VanDerWaalsContact O-CB 3.31Å; N147-K151 WeakPolarHBondContact O-CB 3.39Å; N147-K151 PolarHBondContact O-N 3.33Å
148Q96.5Very high93.3Very high75 Ų75114.2 Ų114.235%0.3555%0.548SS..Hα-helixtrans-64.2-44.5173.6-69.9-60.9-44.800111.9E142 T144 L145 L150 K151 G152E142-Q148 WeakPolarHBondContact O-CG 3.25Å; E142-Q148 PolarHBondContact O-NE2 3Å; T144-Q148 PolarHBondContact O-N 3.08Å; L145-Q148 PolarHBondContact O-N 3.01Å; Q148-L150 PolarHBondContact O-N 3.47Å; Q148-K151 WeakPolarHBondContact O-CB 3.4Å; Q148-K151 PolarHBondContact O-N 3.48Å; Q148-G152 PolarHBondContact O-N 3.11Å
149L96.8Very high93.9Very high114 Ų114113.1 Ų113.160%0.59754%0.538SS*.Hα-helixtrans-62.2-43.2176.1-69.9172.6000111.7L145 I146 K151 G152 Y153L145-L149 HydrophobicContact CD1-CD1 4.12Å; L145-L149 HydrophobicContact CD1-CG 4.24Å; L145-L149 HydrophobicContact CG-CD1 3.97Å; L145-L149 HydrophobicContact CG-CG 4.48Å; L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.25Å; I146-L149 PolarHBondContact O-N 3.14Å; L149-K151 VanDerWaalsContact C-N 3.33Å; L149-K151 PolarHBondContact O-N 3Å; L149-G152 PolarHBondContact O-N 3.48Å; L149-Y153 WeakPolarHBondContact O-CB 3.22Å; L149-Y153 PolarHBondContact O-N 2.97Å
150L96.4Very high94.6Very high80 Ų80106.4 Ų106.442%0.41952%0.52SS..Hα-helixtrans-64.7-37.1176-72.7172.8000112.3I146 N147 Q148 R154I146-L150 HydrophobicContact CG2-CD1 3.92Å; I146-L150 HydrophobicContact CG2-CG 4.41Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.13Å; I146-L150 PolarHBondContact O-N 3Å; N147-L150 PolarHBondContact O-N 2.78Å; Q148-L150 PolarHBondContact O-N 3.47Å; L150-R154 WeakPolarHBondContact O-CB 3.46Å; L150-R154 VanDerWaalsContact O-CG 3.23Å; L150-R154 WeakPolarHBondContact O-CG 3.3Å; L150-R154 PolarHBondContact O-N 2.89Å
151K96.3Very high95.2Very high96 Ų96104.9 Ų104.942%0.41751%0.506SS..Hα-helixtrans-63.9-50.9175.6-176.9178.7177.6179.40110.7N147 Q148 L149 Y153 R154 E155N147-K151 VanDerWaalsContact O-CB 3.31Å; N147-K151 WeakPolarHBondContact O-CB 3.39Å; N147-K151 PolarHBondContact O-N 3.33Å; Q148-K151 WeakPolarHBondContact O-CB 3.4Å; Q148-K151 PolarHBondContact O-N 3.48Å; L149-K151 VanDerWaalsContact C-N 3.33Å; L149-K151 PolarHBondContact O-N 3Å; K151-Y153 VanDerWaalsContact C-N 3.35Å; K151-Y153 PolarHBondContact O-N 3Å; K151-R154 WeakPolarHBondContact O-CB 3.38Å; K151-R154 PolarHBondContact O-N 3.33Å; K151-R154 VanDerWaalsContact O-N 3.13Å; K151-E155 WeakPolarHBondContact CE-OE1 3.36Å; K151-E155 WeakPolarHBondContact CG-OE1 3.44Å; K151-E155 WeakPolarHBondContact O-CG 3.45Å; K151-E155 PolarHBondContact O-N 3.1Å
152G97.1Very high95.4Very high25 Ų25104.3 Ų104.326%0.25851%0.506SS..Hα-helixtrans-56.1-47.7175.900000112.2Q148 L149 R154 E155 E156Q148-G152 PolarHBondContact O-N 3.11Å; L149-G152 PolarHBondContact O-N 3.48Å; G152-R154 VanDerWaalsContact C-N 3.33Å; G152-R154 PolarHBondContact O-N 2.91Å; G152-E155 PolarHBondContact O-N 3.34Å; G152-E155 VanDerWaalsContact O-N 3.16Å; G152-E156 WeakPolarHBondContact O-CG 3.45Å; G152-E156 PolarHBondContact O-N 3.4Å
153Y97.1Very high95.6Very high128 Ų128103.2 Ų103.250%0.50250%0.504SS..Hα-helixtrans-58.9-41.3176.3174.6-103.1000113.1L149 K151 R157L149-Y153 WeakPolarHBondContact O-CB 3.22Å; L149-Y153 PolarHBondContact O-N 2.97Å; K151-Y153 VanDerWaalsContact C-N 3.35Å; K151-Y153 PolarHBondContact O-N 3Å; Y153-R157 VanDerWaalsContact O-CB 3.3Å; Y153-R157 WeakPolarHBondContact O-CB 3.16Å; Y153-R157 PolarHBondContact O-N 3.25Å
154R96.8Very high95.3Very high182 Ų182100.1 Ų100.169%0.68750%0.498SS*.Hα-helixtrans-64.2-41.4177-75.7171.2-178.9-176.22.4111.6L150 K151 G152 A158L150-R154 WeakPolarHBondContact O-CB 3.46Å; L150-R154 VanDerWaalsContact O-CG 3.23Å; L150-R154 WeakPolarHBondContact O-CG 3.3Å; L150-R154 PolarHBondContact O-N 2.89Å; K151-R154 WeakPolarHBondContact O-CB 3.38Å; K151-R154 PolarHBondContact O-N 3.33Å; K151-R154 VanDerWaalsContact O-N 3.13Å; G152-R154 VanDerWaalsContact C-N 3.33Å; G152-R154 PolarHBondContact O-N 2.91Å; R154-A158 WeakPolarHBondContact O-CB 3.43Å; R154-A158 PolarHBondContact O-N 3.41Å
155E97.2Very high95Very high86 Ų86101.4 Ų101.440%0.40251%0.514SS..Hα-helixtrans-65.8-46.9178.1-70.3173.5-170.400111.5K151 G152 R157 A158 R159K151-E155 WeakPolarHBondContact CE-OE1 3.36Å; K151-E155 WeakPolarHBondContact CG-OE1 3.44Å; K151-E155 WeakPolarHBondContact O-CG 3.45Å; K151-E155 PolarHBondContact O-N 3.1Å; G152-E155 PolarHBondContact O-N 3.34Å; G152-E155 VanDerWaalsContact O-N 3.16Å; E155-R157 PolarHBondContact O-N 3.01Å; E155-A158 PolarHBondContact O-N 2.97Å; E155-R159 WeakPolarHBondContact O-CG 3.44Å; E155-R159 PolarHBondContact O-N 2.94Å
156E97.3Very high94.4Very high128 Ų128102.1 Ų102.160%0.59851%0.514SS*.Hα-helixtrans-59.5-45.6175.6-73.2177-178.800111.8G152 A158 R159 A160G152-E156 WeakPolarHBondContact O-CG 3.45Å; G152-E156 PolarHBondContact O-N 3.4Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.3Å; E156-R159 PolarHBondContact O-N 3.33Å; E156-A160 WeakPolarHBondContact O-CB 3.3Å; E156-A160 PolarHBondContact O-N 2.96Å
157R96.7Very high93.1Very high124 Ų124103 Ų10347%0.46854%0.539SS..Hα-helixtrans-65.5-36.2178.2-168.5-179.6-176.3-174.22.8112.3Y153 E155 R161Y153-R157 VanDerWaalsContact O-CB 3.3Å; Y153-R157 WeakPolarHBondContact O-CB 3.16Å; Y153-R157 PolarHBondContact O-N 3.25Å; E155-R157 PolarHBondContact O-N 3.01Å; R157-R161 WeakPolarHBondContact O-CG 3.19Å; R157-R161 PolarHBondContact O-N 3.18Å; R157-R161 VanDerWaalsContact O-N 3.1Å
158A96.2Very high93Very high50 Ų50105 Ų10541%0.41355%0.549SS..Hα-helixtrans-65.4-45.5174.900000111R154 E155 E156 R161 V162R154-A158 WeakPolarHBondContact O-CB 3.43Å; R154-A158 PolarHBondContact O-N 3.41Å; E155-A158 PolarHBondContact O-N 2.97Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.3Å; A158-R161 PolarHBondContact O-N 3.03Å; A158-V162 WeakPolarHBondContact O-CG2 3.48Å; A158-V162 PolarHBondContact O-N 2.8Å; A158-V162 VanDerWaalsContact O-N 3.12Å
159R95.4Very high92.8Very high169 Ų169106.5 Ų106.564%0.63856%0.56SS**Hα-helixtrans-59.5-47.5175.2-69.4173.1-172.6179.55.2111.7E155 E156 R161 V162 L163E155-R159 WeakPolarHBondContact O-CG 3.44Å; E155-R159 PolarHBondContact O-N 2.94Å; E156-R159 PolarHBondContact O-N 3.33Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 PolarHBondContact O-N 3.26Å; R159-V162 PolarHBondContact O-N 3.38Å; R159-L163 WeakPolarHBondContact O-CG 3.4Å; R159-L163 PolarHBondContact O-N 3.01Å
160A94.3Very high92.6Very high58 Ų58106.1 Ų106.148%0.47956%0.558SS.*Hα-helixtrans-60.2-36.8178.300000112.9E156 A164E156-A160 WeakPolarHBondContact O-CB 3.3Å; E156-A160 PolarHBondContact O-N 2.96Å; A160-A164 VanDerWaalsContact O-CB 3.3Å; A160-A164 WeakPolarHBondContact O-CB 3.26Å; A160-A164 PolarHBondContact O-N 3.33Å
161R93.8Very high92.4Very high151 Ų151107.6 Ų107.657%0.5757%0.566SS**Hα-helixtrans-67.6-39.6175.6-78.7174.9176163.4-4.3113.2R157 A158 R159 A164 A165R157-R161 WeakPolarHBondContact O-CG 3.19Å; R157-R161 PolarHBondContact O-N 3.18Å; R157-R161 VanDerWaalsContact O-N 3.1Å; A158-R161 PolarHBondContact O-N 3.03Å; R159-R161 VanDerWaalsContact C-N 3.29Å; R159-R161 PolarHBondContact O-N 3.26Å; R161-A164 PolarHBondContact O-N 2.89Å; R161-A165 WeakPolarHBondContact O-CB 3.05Å; R161-A165 PolarHBondContact O-N 3.23Å; R161-A165 VanDerWaalsContact O-N 3.11Å
162V94.5Very high92.2Very high78 Ų78108.4 Ų108.447%0.47358%0.575SS.*Hα-helixtrans-65.1-48.8176.9173.20000109.7A158 R159 A164 A165 E166A158-V162 WeakPolarHBondContact O-CG2 3.48Å; A158-V162 PolarHBondContact O-N 2.8Å; A158-V162 VanDerWaalsContact O-N 3.12Å; R159-V162 PolarHBondContact O-N 3.38Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 2.87Å; V162-A165 PolarHBondContact O-N 3.45Å; V162-E166 HydrophobicContact CG1-CG 4.44Å; V162-E166 WeakPolarHBondContact O-CG 3.44Å; V162-E166 PolarHBondContact O-N 3.29Å
163L91.4Very high91.8Very high113 Ų113113.9 Ų113.959%0.59260%0.596SS**Hα-helixtrans-59.2-38177-67.5172.1000112.6R159 A165 A167R159-L163 WeakPolarHBondContact O-CG 3.4Å; R159-L163 PolarHBondContact O-N 3.01Å; L163-A165 VanDerWaalsContact C-N 3.3Å; L163-A165 PolarHBondContact O-N 3.27Å; L163-A167 PolarHBondContact O-N 3.01Å
164A88.1Confident91.4Very high72 Ų72112.9 Ų112.960%0.59560%0.603SS**Hα-helixtrans-74.1-16.2175.800000114.2A160 R161 V162A160-A164 VanDerWaalsContact O-CB 3.3Å; A160-A164 WeakPolarHBondContact O-CB 3.26Å; A160-A164 PolarHBondContact O-N 3.33Å; R161-A164 PolarHBondContact O-N 2.89Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 2.87Å
165A87.8Confident91Very high83 Ų83107.6 Ų107.669%0.68660%0.596SS**Hα-helixtrans-92.8-20.4175.300000112.6R161 V162 L163R161-A165 WeakPolarHBondContact O-CB 3.05Å; R161-A165 PolarHBondContact O-N 3.23Å; R161-A165 VanDerWaalsContact O-N 3.11Å; V162-A165 PolarHBondContact O-N 3.45Å; L163-A165 VanDerWaalsContact C-N 3.3Å; L163-A165 PolarHBondContact O-N 3.27Å
166E82.7Confident90.5Very high148 Ų148109.4 Ų109.469%0.69261%0.613SS**Hα-helixtrans-87.8-15.5175.8-70.2174.8169.300113.1V162V162-E166 HydrophobicContact CG1-CG 4.44Å; V162-E166 WeakPolarHBondContact O-CG 3.44Å; V162-E166 PolarHBondContact O-N 3.29Å
167A68.1Low89.9Confident139 Ų139107.7 Ų107.7100%1.14961%0.614SS**  trans-93.30174.900000111.9L163L163-A167 PolarHBondContact O-N 3.01Å

Retrieved 167 of 167 residues in 96.5 ms (Link to these results)

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