A0A077Z3K6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3K6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 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
1M53.9Low75.9Confident202 Ų202106.6 Ų106.6100%0.99547%0.471SS*.  0-29.70-81.5-170.3175.300114.7R3 R4 H5M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.42Å; M1-R4 PolarHBondContact O-N 3.12Å; M1-H5 PolarHBondContact O-ND1 3.3Å
2L65.1Low76.8Confident91 Ų91103.8 Ų103.848%0.47647%0.468SS..Hα-helixtrans-54-41.3-177-130.286.2000114.1R4 H5 G6 V31L2-R4 PolarHBondContact O-N 3.42Å; L2-H5 PolarHBondContact O-N 3.46Å; L2-G6 PolarHBondContact O-N 3.3Å; L2-V31 HydrophobicContact CD2-CG1 4.3Å
3R65.6Low77.5Confident128 Ų12897.3 Ų97.348%0.48344%0.44SS..Hα-helixtrans-59.7-41.4-175.2-76.5-170.2172.7-173.20.5114.2M1 F40 E74M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.42Å; R3-F40 WeakPolarHBondContact O-CE1 3.5Å; R3-E74 IonicContact NH2-OE1 3.26Å; R3-E74 PolarHBondContact NH2-OE1 3.48Å
4R67.3Low77.9Confident217 Ų21791.7 Ų91.782%0.81941%0.414SS*.Hα-helixtrans-75.3-33179.4-67.8-170.8-163.3171.84.9112.9M1 L2M1-R4 PolarHBondContact O-N 3.12Å; L2-R4 PolarHBondContact O-N 3.42Å
5H77.7Confident78.3Confident114 Ų11495.9 Ų95.953%0.52843%0.434SS..Hα-helixtrans-79.5-34.4-178.8-66.887.5000111.9M1 L2 Q7 R8 F9M1-H5 PolarHBondContact O-ND1 3.3Å; L2-H5 PolarHBondContact O-N 3.46Å; H5-Q7 VanDerWaalsContact C-N 3.35Å; H5-Q7 PolarHBondContact O-N 2.94Å; H5-R8 PolarHBondContact O-N 3.47Å; H5-F9 WeakPolarHBondContact O-CB 3.45Å; H5-F9 PolarHBondContact O-N 3.4Å
6G80.6Confident78.7Confident10 Ų1099.6 Ų99.610%0.10344%0.443CS..Hα-helixtrans-62.1-39.5179.400000113.3L2 F9 A10L2-G6 PolarHBondContact O-N 3.3Å; G6-F9 PolarHBondContact O-N 2.94Å; G6-A10 PolarHBondContact O-N 2.98Å
7Q82.6Confident78.9Confident60 Ų60101 Ų10128%0.2845%0.445SS..Hα-helixtrans-64-50.8176.8-171.96129.700111.7H5 F9 A10 D11 F40 L41H5-Q7 VanDerWaalsContact C-N 3.35Å; H5-Q7 PolarHBondContact O-N 2.94Å; Q7-F9 PolarHBondContact O-N 3.17Å; Q7-A10 WeakPolarHBondContact O-CB 3.43Å; Q7-A10 PolarHBondContact O-N 3.07Å; Q7-A10 VanDerWaalsContact O-N 3.08Å; Q7-D11 PolarHBondContact O-N 2.78Å; Q7-F40 HydrophobicContact CB-CD1 4.4Å; Q7-L41 PolarHBondContact NE2-O 3.4Å; Q7-L41 PolarHBondContact OE1-O 2.9Å
8R85.3Confident78.7Confident184 Ų184102.6 Ų102.669%0.69446%0.458SS*.Hα-helixtrans-58.4-37.3176.2-69.3-176.8178.3179.9-1.9111.8H5 D11 V12H5-R8 PolarHBondContact O-N 3.47Å; R8-D11 PolarHBondContact O-N 3.41Å; R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.38Å; R8-V12 PolarHBondContact O-N 3.45Å
9F86.9Confident78.2Confident96 Ų96101.3 Ų101.342%0.42145%0.452SS..Hα-helixtrans-67.1-39.7177.4-172.5-110.5000112.1H5 G6 Q7 D11 V12 I13 L29H5-F9 WeakPolarHBondContact O-CB 3.45Å; H5-F9 PolarHBondContact O-N 3.4Å; G6-F9 PolarHBondContact O-N 2.94Å; Q7-F9 PolarHBondContact O-N 3.17Å; F9-D11 VanDerWaalsContact C-N 3.31Å; F9-D11 PolarHBondContact O-N 2.92Å; F9-V12 PolarHBondContact O-N 3.38Å; F9-I13 HydrophobicContact CD1-CD1 3.65Å; F9-I13 HydrophobicContact CD1-CG1 4.42Å; F9-I13 HydrophobicContact CE1-CD1 3.31Å; F9-I13 HydrophobicContact CE1-CG1 4.17Å; F9-I13 HydrophobicContact CG-CD1 4.43Å; F9-I13 HydrophobicContact CZ-CD1 3.83Å; F9-I13 HydrophobicContact CZ-CG1 4.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.39Å; F9-L29 HydrophobicContact CD1-CD2 3.72Å; F9-L29 HydrophobicContact CE1-CD2 4.42Å
10A85.6Confident77.6Confident0 Ų098 Ų980%045%0.447CS..Hα-helixtrans-60.5-41.8172.700000111.6G6 Q7 I13 R14 L27 L29 F40G6-A10 PolarHBondContact O-N 2.98Å; Q7-A10 WeakPolarHBondContact O-CB 3.43Å; Q7-A10 PolarHBondContact O-N 3.07Å; Q7-A10 VanDerWaalsContact O-N 3.08Å; A10-I13 PolarHBondContact O-N 3.41Å; A10-R14 WeakPolarHBondContact O-CB 3.38Å; A10-R14 PolarHBondContact O-N 2.95Å; A10-L27 WeakPolarHBondContact O-CD2 3.27Å; A10-L29 HydrophobicContact CB-CB 4.12Å; A10-L29 HydrophobicContact CB-CD2 4.06Å; A10-F40 HydrophobicContact CB-CB 4.23Å
11D84.6Confident77.2Confident71 Ų7199.4 Ų99.438%0.3846%0.463SS..Hα-helixtrans-65.2-39.9176.8-60-30.4000112.2Q7 R8 F9 R14 H15 S42Q7-D11 PolarHBondContact O-N 2.78Å; R8-D11 PolarHBondContact O-N 3.41Å; F9-D11 VanDerWaalsContact C-N 3.31Å; F9-D11 PolarHBondContact O-N 2.92Å; D11-R14 WeakPolarHBondContact O-CB 3.36Å; D11-R14 PolarHBondContact O-N 3.38Å; D11-H15 WeakPolarHBondContact O-CB 3.41Å; D11-H15 PolarHBondContact O-N 3.12Å; D11-S42 VanDerWaalsContact OD1-CB 3.3Å; D11-S42 WeakPolarHBondContact OD1-CB 3.48Å; D11-S42 PolarHBondContact OD1-OG 3.02Å
12V86.3Confident78Confident72 Ų7293.9 Ų93.944%0.43644%0.443SS..Hα-helixtrans-64.7-44175.4170.80000111.4R8 F9 R14 H15 R16R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.38Å; R8-V12 PolarHBondContact O-N 3.45Å; F9-V12 PolarHBondContact O-N 3.38Å; V12-R14 VanDerWaalsContact C-N 3.34Å; V12-H15 PolarHBondContact O-N 2.92Å; V12-R16 HydrophobicContact CG1-CG 4.46Å; V12-R16 WeakPolarHBondContact O-CB 3.33Å; V12-R16 WeakPolarHBondContact O-CG 3.5Å; V12-R16 PolarHBondContact O-N 3.26Å
13I85.9Confident78.5Confident20 Ų2089.8 Ų89.810%0.10342%0.423CS..Hα-helixtrans-60.2-48.2176.1-71168.8000110F9 A10 H15 R16 W17 L27 L29F9-I13 HydrophobicContact CD1-CD1 3.65Å; F9-I13 HydrophobicContact CD1-CG1 4.42Å; F9-I13 HydrophobicContact CE1-CD1 3.31Å; F9-I13 HydrophobicContact CE1-CG1 4.17Å; F9-I13 HydrophobicContact CG-CD1 4.43Å; F9-I13 HydrophobicContact CZ-CD1 3.83Å; F9-I13 HydrophobicContact CZ-CG1 4.26Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.39Å; A10-I13 PolarHBondContact O-N 3.41Å; I13-H15 VanDerWaalsContact C-N 3.32Å; I13-H15 PolarHBondContact O-N 3.27Å; I13-R16 PolarHBondContact O-N 2.89Å; I13-R16 VanDerWaalsContact O-N 3.17Å; I13-W17 HydrophobicContact CG2-CD2 3.7Å; I13-W17 HydrophobicContact CG2-CE3 3.79Å; I13-W17 HydrophobicContact CG2-CG 4.22Å; I13-W17 HydrophobicContact CG2-CH2 4.3Å; I13-W17 HydrophobicContact CG2-CZ2 4.22Å; I13-W17 HydrophobicContact CG2-CZ3 4.1Å; I13-W17 WeakPolarHBondContact O-CB 3.34Å; I13-W17 PolarHBondContact O-N 2.96Å; I13-L27 HydrophobicContact CB-CD2 4.1Å; I13-L27 HydrophobicContact CG2-CD2 3.82Å; I13-L29 HydrophobicContact CD1-CD1 3.93Å
14R83.9Confident79.1Confident19 Ų1988.6 Ų88.67%0.07242%0.423CS..Hα-helixtrans-54.1-49.8178.7176.2178.2178.584.425.3111.3A10 D11 V12 W17 N18 F19 G20 D25 L27 S42 A43A10-R14 WeakPolarHBondContact O-CB 3.38Å; A10-R14 PolarHBondContact O-N 2.95Å; D11-R14 WeakPolarHBondContact O-CB 3.36Å; D11-R14 PolarHBondContact O-N 3.38Å; V12-R14 VanDerWaalsContact C-N 3.34Å; R14-W17 PolarHBondContact O-N 3.08Å; R14-N18 PolarHBondContact O-N 2.84Å; R14-F19 HydrophobicContact CB-CB 4.46Å; R14-F19 HydrophobicContact CG-CB 3.81Å; R14-F19 WeakPolarHBondContact CG-O 3.44Å; R14-F19 PolarHBondContact O-N 2.84Å; R14-G20 VanDerWaalsContact NH2-CA 3.26Å; R14-D25 IonicContact CZ-OD1 2.7Å; R14-D25 IonicContact CZ-OD2 2.79Å; R14-D25 PolarHBondContact NH1-O 3.04Å; R14-D25 IonicContact NH1-OD2 3.39Å; R14-D25 PolarHBondContact NH1-OD2 2.95Å; R14-D25 VanDerWaalsContact NH1-OD2 3.14Å; R14-D25 PolarHBondContact NH2-O 2.83Å; R14-D25 IonicContact NH2-OD1 2.81Å; R14-D25 PolarHBondContact NH2-OD1 3.21Å; R14-D25 IonicContact NH2-OD2 3.83Å; R14-D25 PolarHBondContact NH2-OD2 3.31Å; R14-L27 HydrophobicContact CB-CD2 3.94Å; R14-S42 WeakPolarHBondContact CD-OG 3.09Å; R14-S42 PolarHBondContact NH1-O 2.9Å; R14-A43 VanDerWaalsContact CZ-C 3.44Å
15H83Confident79.9Confident154 Ų15479.8 Ų79.871%0.71339%0.392SS*.Hα-helixtrans-63.1-43.3177.6-169.3-47.7000112.4D11 V12 I13 W17 N18D11-H15 WeakPolarHBondContact O-CB 3.41Å; D11-H15 PolarHBondContact O-N 3.12Å; V12-H15 PolarHBondContact O-N 2.92Å; I13-H15 VanDerWaalsContact C-N 3.32Å; I13-H15 PolarHBondContact O-N 3.27Å; H15-W17 VanDerWaalsContact C-N 3.29Å; H15-W17 PolarHBondContact O-N 3.36Å; H15-N18 PolarHBondContact O-N 3.45Å
16R85.1Confident80.2Confident155 Ų15575.4 Ų75.459%0.58537%0.372SS*.Hα-helixtrans-68.3-28.3-179.2-77.9-168.7173.7-165.8-0.1113.4V12 I13V12-R16 HydrophobicContact CG1-CG 4.46Å; V12-R16 WeakPolarHBondContact O-CB 3.33Å; V12-R16 WeakPolarHBondContact O-CG 3.5Å; V12-R16 PolarHBondContact O-N 3.26Å; I13-R16 PolarHBondContact O-N 2.89Å; I13-R16 VanDerWaalsContact O-N 3.17Å
17W82.2Confident80.5Confident124 Ų12475.8 Ų75.847%0.4737%0.372SS..THydrogen-bonded Turntrans-93.98.2-177.2-73.45.6000114I13 R14 H15 F19 V188I13-W17 HydrophobicContact CG2-CD2 3.7Å; I13-W17 HydrophobicContact CG2-CE3 3.79Å; I13-W17 HydrophobicContact CG2-CG 4.22Å; I13-W17 HydrophobicContact CG2-CH2 4.3Å; I13-W17 HydrophobicContact CG2-CZ2 4.22Å; I13-W17 HydrophobicContact CG2-CZ3 4.1Å; I13-W17 WeakPolarHBondContact O-CB 3.34Å; I13-W17 PolarHBondContact O-N 2.96Å; R14-W17 PolarHBondContact O-N 3.08Å; H15-W17 VanDerWaalsContact C-N 3.29Å; H15-W17 PolarHBondContact O-N 3.36Å; W17-F19 HydrophobicContact CB-CD2 3.59Å; W17-F19 HydrophobicContact CB-CE2 4.16Å; W17-F19 AromaticContact CE3-CD2 3.89Å; W17-F19 HydrophobicContact CE3-CD2 3.89Å; W17-F19 AromaticContact CE3-CE2 3.64Å; W17-F19 HydrophobicContact CE3-CE2 3.64Å; W17-F19 HydrophobicContact CZ3-CE2 4.4Å; W17-F19 PolarHBondContact O-N 2.96Å; W17-F19 VanDerWaalsContact O-N 3.12Å; W17-V188 HydrophobicContact CH2-CB 4.19Å; W17-V188 HydrophobicContact CH2-CG1 3.65Å; W17-V188 HydrophobicContact CH2-CG2 3.53Å; W17-V188 HydrophobicContact CZ2-CG2 4.39Å; W17-V188 HydrophobicContact CZ3-CG1 3.65Å; W17-V188 HydrophobicContact CZ3-CG2 4.38Å
18N74.9Confident80.7Confident129 Ų12973.8 Ų73.869%0.6936%0.363SS*.THydrogen-bonded Turntrans54.427.1-173.6-67.3-24.3000113.1R14 H15 G20 V21R14-N18 PolarHBondContact O-N 2.84Å; H15-N18 PolarHBondContact O-N 3.45Å; N18-G20 PolarHBondContact O-N 3.26Å; N18-V21 HydrophobicContact CB-CG2 4.37Å
19F70.4Confident80.8Confident79 Ų7965.7 Ų65.735%0.34633%0.334SS..THydrogen-bonded Turntrans-74.6112.6163.9-86.6-78.6000106.5R14 W17 D25R14-F19 HydrophobicContact CB-CB 4.46Å; R14-F19 HydrophobicContact CG-CB 3.81Å; R14-F19 WeakPolarHBondContact CG-O 3.44Å; R14-F19 PolarHBondContact O-N 2.84Å; W17-F19 HydrophobicContact CB-CD2 3.59Å; W17-F19 HydrophobicContact CB-CE2 4.16Å; W17-F19 AromaticContact CE3-CD2 3.89Å; W17-F19 HydrophobicContact CE3-CD2 3.89Å; W17-F19 AromaticContact CE3-CE2 3.64Å; W17-F19 HydrophobicContact CE3-CE2 3.64Å; W17-F19 HydrophobicContact CZ3-CE2 4.4Å; W17-F19 PolarHBondContact O-N 2.96Å; W17-F19 VanDerWaalsContact O-N 3.12Å; F19-D25 WeakPolarHBondContact CA-OD2 3.32Å; F19-D25 WeakPolarHBondContact CB-OD2 3.3Å; F19-D25 HydrophobicContact CD1-CB 4.07Å; F19-D25 WeakPolarHBondContact CD1-OD2 3.39Å
20G64.7Low80.9Confident34 Ų3462.5 Ų62.535%0.35132%0.322SS..THydrogen-bonded Turntrans135.3-7.6-177.100000115.9R14 N18 C22 G23 D25R14-G20 VanDerWaalsContact NH2-CA 3.26Å; N18-G20 PolarHBondContact O-N 3.26Å; G20-C22 PolarHBondContact O-N 3.34Å; G20-G23 PolarHBondContact O-N 3.4Å; G20-D25 VanDerWaalsContact CA-OD1 3.27Å; G20-D25 WeakPolarHBondContact CA-OD1 3.05Å; G20-D25 VanDerWaalsContact N-CG 3.34Å; G20-D25 PolarHBondContact N-OD1 3.33Å; G20-D25 VanDerWaalsContact N-OD1 3.16Å; G20-D25 PolarHBondContact N-OD2 2.93Å
21V68.9Low80.8Confident128 Ų12864.5 Ų64.578%0.77633%0.334SS*.SBendtrans-58-36.1178.7-179.60000111.9N18N18-V21 HydrophobicContact CB-CG2 4.37Å
22C70.6Confident80.8Confident86 Ų8667.5 Ų67.558%0.58134%0.343SS*.SBendtrans-94.2-13.6174.2-62.70000113G20 E24G20-C22 PolarHBondContact O-N 3.34Å; C22-E24 PolarHBondContact O-N 2.77Å
23G76.2Confident80.2Confident5 Ų568.6 Ų68.65%0.05235%0.347CS..SBendtrans631.1-172.300000115.6G20 G44 T46 V47G20-G23 PolarHBondContact O-N 3.4Å; G23-G44 CarbonylContact O-C 3.54Å; G23-G44 VanDerWaalsContact O-CA 3.23Å; G23-G44 WeakPolarHBondContact O-CA 3.32Å; G23-T46 WeakPolarHBondContact O-CB 3.13Å; G23-T46 PolarHBondContact O-N 3.05Å; G23-T46 PolarHBondContact O-OG1 3.44Å; G23-V47 PolarHBondContact O-N 2.6Å
24E79.3Confident79.5Confident104 Ų10477.2 Ų77.249%0.48638%0.384SS..  trans-95.5-1.1-177.2-72.9-170.3149.200113.7C22 T46 R50C22-E24 PolarHBondContact O-N 2.77Å; E24-T46 WeakPolarHBondContact CA-OG1 3.48Å; E24-T46 VanDerWaalsContact CG-OG1 3.22Å; E24-T46 WeakPolarHBondContact CG-OG1 3.29Å; E24-T46 PolarHBondContact N-OG1 2.88Å; E24-R50 IonicContact OE1-CZ 3.84Å; E24-R50 IonicContact OE1-NH2 2.81Å; E24-R50 PolarHBondContact OE1-NH2 3.19Å
25D82.3Confident78.9Confident31 Ų3181.9 Ų81.917%0.16642%0.416CS..  trans-91.8151.6-173.656.7-57.2000111.9R14 F19 G20 G44R14-D25 IonicContact CZ-OD1 2.7Å; R14-D25 IonicContact CZ-OD2 2.79Å; R14-D25 PolarHBondContact NH1-O 3.04Å; R14-D25 IonicContact NH1-OD2 3.39Å; R14-D25 PolarHBondContact NH1-OD2 2.95Å; R14-D25 VanDerWaalsContact NH1-OD2 3.14Å; R14-D25 PolarHBondContact NH2-O 2.83Å; R14-D25 IonicContact NH2-OD1 2.81Å; R14-D25 PolarHBondContact NH2-OD1 3.21Å; R14-D25 IonicContact NH2-OD2 3.83Å; R14-D25 PolarHBondContact NH2-OD2 3.31Å; F19-D25 WeakPolarHBondContact CA-OD2 3.32Å; F19-D25 WeakPolarHBondContact CB-OD2 3.3Å; F19-D25 HydrophobicContact CD1-CB 4.07Å; F19-D25 WeakPolarHBondContact CD1-OD2 3.39Å; G20-D25 VanDerWaalsContact CA-OD1 3.27Å; G20-D25 WeakPolarHBondContact CA-OD1 3.05Å; G20-D25 VanDerWaalsContact N-CG 3.34Å; G20-D25 PolarHBondContact N-OD1 3.33Å; G20-D25 VanDerWaalsContact N-OD1 3.16Å; G20-D25 PolarHBondContact N-OD2 2.93Å; D25-G44 PolarHBondContact O-N 3.46Å
26I85.4Confident78.6Confident23 Ų2379.8 Ų79.812%0.11841%0.407CS..EExtended strand (participates in β ladder)trans-127.4130.6-179.9-61.1172.4000107.5I28 L41 V47 L94 L191I26-I28 HydrophobicContact CG2-CG1 4.32Å; I26-L41 HydrophobicContact CG2-CD1 3.9Å; I26-L41 HydrophobicContact CG2-CD2 3.98Å; I26-L41 HydrophobicContact CG2-CG 3.82Å; I26-V47 HydrophobicContact CD1-CG1 4.07Å; I26-V47 HydrophobicContact CD1-CG2 4.41Å; I26-V47 HydrophobicContact CG1-CG1 4.13Å; I26-V47 HydrophobicContact CG1-CG2 4.13Å; I26-L94 HydrophobicContact CD1-CD1 3.88Å; I26-L191 HydrophobicContact CG2-CD1 4.45Å; I26-L191 VanDerWaalsContact O-CD1 3.32Å; I26-L191 WeakPolarHBondContact O-CD1 3.44Å
27L86.2Confident78.5Confident18 Ų1874.1 Ų74.19%0.09439%0.389CS..EExtended strand (participates in β ladder)trans-108.7125.7173.5178.668.3000108.4A10 I13 R14 L41 S42A10-L27 WeakPolarHBondContact O-CD2 3.27Å; I13-L27 HydrophobicContact CB-CD2 4.1Å; I13-L27 HydrophobicContact CG2-CD2 3.82Å; R14-L27 HydrophobicContact CB-CD2 3.94Å; L27-L41 CarbonylContact O-C 3.17Å; L27-L41 VanDerWaalsContact O-CA 3.29Å; L27-L41 WeakPolarHBondContact O-CA 3.35Å; L27-S42 PolarHBondContact N-O 3.35Å; L27-S42 PolarHBondContact O-N 3.41Å
28I87.7Confident78.6Confident18 Ų1868.9 Ų68.99%0.09237%0.371CS..EExtended strand (participates in β ladder)trans-109.8114.2170.6-58.8175.6000107.8I26 F40 L41 L83 I86 L90 L191I26-I28 HydrophobicContact CG2-CG1 4.32Å; I28-F40 CarbonylContact C-O 3.16Å; I28-F40 WeakPolarHBondContact CA-O 3.15Å; I28-L41 HydrophobicContact CG1-CD1 4.18Å; I28-L41 HydrophobicContact CG1-CG 4.37Å; I28-L83 HydrophobicContact CD1-CD1 3.94Å; I28-L83 HydrophobicContact CG2-CD1 4.1Å; I28-I86 HydrophobicContact CD1-CG2 3.87Å; I28-L90 HydrophobicContact CD1-CD1 4.44Å; I28-L191 HydrophobicContact CB-CD1 4.23Å; I28-L191 HydrophobicContact CD1-CD1 3.79Å; I28-L191 HydrophobicContact CG1-CD1 3.7Å
29L87.6Confident79.2Confident14 Ų1462.9 Ų62.97%0.07334%0.339CS..EExtended strand (participates in β ladder)trans-94.8120.8175.8177.972.4000109.3F9 A10 I13 V31 L39 F40F9-L29 HydrophobicContact CD1-CD2 3.72Å; F9-L29 HydrophobicContact CE1-CD2 4.42Å; A10-L29 HydrophobicContact CB-CB 4.12Å; A10-L29 HydrophobicContact CB-CD2 4.06Å; I13-L29 HydrophobicContact CD1-CD1 3.93Å; L29-V31 HydrophobicContact CD2-CG2 4.01Å; L29-V31 HydrophobicContact CG-CG2 4.05Å; L29-L39 WeakPolarHBondContact O-CA 3.47Å; L29-F40 HydrophobicContact CB-CB 4.21Å; L29-F40 HydrophobicContact CD2-CB 4.43Å; L29-F40 HydrophobicContact CD2-CD2 4.17Å; L29-F40 PolarHBondContact N-O 3.16Å; L29-F40 PolarHBondContact O-N 3.16Å
30V87.3Confident80Confident28 Ų2859.7 Ų59.717%0.1733%0.325CS..EExtended strand (participates in β ladder)trans-102.2112.1176.5-175.30000108.9K32 V37 L39 L79V30-K32 HydrophobicContact CG1-CG 4.18Å; V30-V37 HydrophobicContact CG1-CG1 3.88Å; V30-L39 HydrophobicContact CB-CD2 4.01Å; V30-L39 HydrophobicContact CG1-CD2 3.86Å; V30-L39 HydrophobicContact CG2-CD2 3.63Å; V30-L79 HydrophobicContact CG1-CD1 4.03Å; V30-L79 HydrophobicContact CG1-CD2 3.84Å
31V84.6Confident81.1Confident42 Ų4258.5 Ų58.526%0.25531%0.31SS..EExtended strand (participates in β ladder)trans-102.5108.9175.8-178.50000108.7L2 L29 V37 T38 F40L2-V31 HydrophobicContact CD2-CG1 4.3Å; L29-V31 HydrophobicContact CD2-CG2 4.01Å; L29-V31 HydrophobicContact CG-CG2 4.05Å; V31-V37 WeakPolarHBondContact O-CA 3.27Å; V31-T38 PolarHBondContact N-O 2.89Å; V31-T38 PolarHBondContact O-N 2.81Å; V31-F40 HydrophobicContact CB-CE2 4.16Å; V31-F40 HydrophobicContact CG2-CD2 3.83Å; V31-F40 HydrophobicContact CG2-CE2 3.72Å
32K83.6Confident81.9Confident134 Ų13452.6 Ų52.658%0.58327%0.274SS*.EExtended strand (participates in β ladder)trans-94.5108.7174.8-65.8-174.1176.8-176.80109.3V30 V37V30-K32 HydrophobicContact CG1-CG 4.18Å; K32-V37 HydrophobicContact CG-CG1 4.13Å; K32-V37 HydrophobicContact CG-CG2 4.13Å
33N75.2Confident82.6Confident96 Ų9649.6 Ų49.651%0.51326%0.256SS..EExtended strand (participates in β ladder)trans-129.388.9172.2-173.517.8000108.9H36N33-H36 CarbonylContact C-O 3.53Å; N33-H36 WeakPolarHBondContact CA-O 3.43Å; N33-H36 PolarHBondContact N-O 2.82Å; N33-H36 CarbonylContact O-C 3.49Å; N33-H36 WeakPolarHBondContact O-CA 3.42Å; N33-H36 PolarHBondContact O-N 3.14Å
34K71.2Confident83Confident201 Ų20149.4 Ų49.487%0.87425%0.254SS*.THydrogen-bonded Turntrans-48.9133.1-171.3-68.5-176.9179179.90111.1
35P70.9Confident83.1Confident116 Ų11650.6 Ų50.675%0.75326%0.263SS*.THydrogen-bonded Turncis-83.8-25.533.8-35.2000114.7
36H76.6Confident83.1Confident111 Ų11151 Ų5151%0.51427%0.267SS..EExtended strand (participates in β ladder)trans-93.9139.3-171.6-55.2-69.2000112.6N33N33-H36 CarbonylContact C-O 3.53Å; N33-H36 WeakPolarHBondContact CA-O 3.43Å; N33-H36 PolarHBondContact N-O 2.82Å; N33-H36 CarbonylContact O-C 3.49Å; N33-H36 WeakPolarHBondContact O-CA 3.42Å; N33-H36 PolarHBondContact O-N 3.14Å
37V82.6Confident82.9Confident36 Ų3650.2 Ų50.222%0.21826%0.263CS..EExtended strand (participates in β ladder)trans-119.4124.6167.4-176.80000107V30 V31 K32 L73 L79V30-V37 HydrophobicContact CG1-CG1 3.88Å; V31-V37 WeakPolarHBondContact O-CA 3.27Å; K32-V37 HydrophobicContact CG-CG1 4.13Å; K32-V37 HydrophobicContact CG-CG2 4.13Å; V37-L73 HydrophobicContact CG1-CD1 4.3Å; V37-L79 HydrophobicContact CG1-CD1 4.14Å
38T84.7Confident82.8Confident13 Ų1353.9 Ų53.98%0.0828%0.28CS..EExtended strand (participates in β ladder)trans-120.1133.9179.547.70000109.7V31V31-T38 PolarHBondContact N-O 2.89Å; V31-T38 PolarHBondContact O-N 2.81Å
39L87.5Confident82.5Confident3 Ų357.8 Ų57.82%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-101.6137174.7-54.7177.6000109.8L29 V30 I66 N70 L73 L79 V82 I86L29-L39 WeakPolarHBondContact O-CA 3.47Å; V30-L39 HydrophobicContact CB-CD2 4.01Å; V30-L39 HydrophobicContact CG1-CD2 3.86Å; V30-L39 HydrophobicContact CG2-CD2 3.63Å; L39-I66 HydrophobicContact CB-CG2 4.25Å; L39-I66 WeakPolarHBondContact O-CG2 3.1Å; L39-N70 VanDerWaalsContact CB-OD1 3.29Å; L39-N70 WeakPolarHBondContact CB-OD1 3.22Å; L39-N70 PolarHBondContact N-OD1 3.35Å; L39-N70 PolarHBondContact O-ND2 3.14Å; L39-L73 HydrophobicContact CD1-CD1 3.56Å; L39-L73 HydrophobicContact CD2-CD1 4.11Å; L39-L73 HydrophobicContact CG-CD1 3.48Å; L39-L73 VanDerWaalsContact CG-CD1 3.48Å; L39-L79 HydrophobicContact CD2-CD1 3.94Å; L39-V82 HydrophobicContact CD1-CG1 4.06Å; L39-I86 HydrophobicContact CD1-CD1 3.27Å
40F86.8Confident82.1Confident13 Ų1359.7 Ų59.76%0.05730%0.304CS..EExtended strand (participates in β ladder)trans-122.9145.4169.2-56.2-80.7000108.4R3 Q7 A10 I28 L29 V31R3-F40 WeakPolarHBondContact O-CE1 3.5Å; Q7-F40 HydrophobicContact CB-CD1 4.4Å; A10-F40 HydrophobicContact CB-CB 4.23Å; I28-F40 CarbonylContact C-O 3.16Å; I28-F40 WeakPolarHBondContact CA-O 3.15Å; L29-F40 HydrophobicContact CB-CB 4.21Å; L29-F40 HydrophobicContact CD2-CB 4.43Å; L29-F40 HydrophobicContact CD2-CD2 4.17Å; L29-F40 PolarHBondContact N-O 3.16Å; L29-F40 PolarHBondContact O-N 3.16Å; V31-F40 HydrophobicContact CB-CE2 4.16Å; V31-F40 HydrophobicContact CG2-CD2 3.83Å; V31-F40 HydrophobicContact CG2-CE2 3.72Å
41L87.5Confident81.8Confident8 Ų859 Ų594%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-128.1129.6-179.9-173.4151.7000109.1Q7 I26 L27 I28 A43 V62 I66 L90Q7-L41 PolarHBondContact NE2-O 3.4Å; Q7-L41 PolarHBondContact OE1-O 2.9Å; I26-L41 HydrophobicContact CG2-CD1 3.9Å; I26-L41 HydrophobicContact CG2-CD2 3.98Å; I26-L41 HydrophobicContact CG2-CG 3.82Å; L27-L41 CarbonylContact O-C 3.17Å; L27-L41 VanDerWaalsContact O-CA 3.29Å; L27-L41 WeakPolarHBondContact O-CA 3.35Å; I28-L41 HydrophobicContact CG1-CD1 4.18Å; I28-L41 HydrophobicContact CG1-CG 4.37Å; L41-A43 HydrophobicContact CD2-CB 3.86Å; L41-V62 HydrophobicContact CD1-CG1 3.9Å; L41-V62 HydrophobicContact CD2-CG1 3.53Å; L41-V62 HydrophobicContact CG-CG1 4.29Å; L41-I66 HydrophobicContact CB-CD1 3.15Å; L41-I66 HydrophobicContact CB-CG1 3.9Å; L41-I66 HydrophobicContact CD1-CD1 3.84Å; L41-I66 HydrophobicContact CD1-CG1 4.05Å; L41-I66 HydrophobicContact CD2-CD1 4.35Å; L41-I66 HydrophobicContact CG-CD1 3.95Å; L41-L90 HydrophobicContact CD1-CD1 3.57Å; L41-L90 HydrophobicContact CD1-CD2 4.26Å
42S86.3Confident81.7Confident4 Ų462.1 Ų62.13%0.02831%0.313CS..EExtended strand (participates in β ladder)trans-119.9112.6173.2-174.30000109.1D11 R14 L27D11-S42 VanDerWaalsContact OD1-CB 3.3Å; D11-S42 WeakPolarHBondContact OD1-CB 3.48Å; D11-S42 PolarHBondContact OD1-OG 3.02Å; R14-S42 WeakPolarHBondContact CD-OG 3.09Å; R14-S42 PolarHBondContact NH1-O 2.9Å; L27-S42 PolarHBondContact N-O 3.35Å; L27-S42 PolarHBondContact O-N 3.41Å
43A85.3Confident81.5Confident23 Ų2362.4 Ų62.419%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-100.3153.5-178.100000111R14 L41 V47R14-A43 VanDerWaalsContact CZ-C 3.44Å; L41-A43 HydrophobicContact CD2-CB 3.86Å; A43-V47 HydrophobicContact CB-CB 4.03Å; A43-V47 HydrophobicContact CB-CG1 3.67Å
44G83.5Confident81.7Confident2 Ų258 Ų582%0.02129%0.287CS..  trans-75.1162.6174.500000113G23 D25 T46 V47 Q48G23-G44 CarbonylContact O-C 3.54Å; G23-G44 VanDerWaalsContact O-CA 3.23Å; G23-G44 WeakPolarHBondContact O-CA 3.32Å; D25-G44 PolarHBondContact O-N 3.46Å; G44-T46 PolarHBondContact O-N 2.91Å; G44-V47 PolarHBondContact O-N 3.44Å; G44-Q48 PolarHBondContact O-N 2.78Å
45L83.4Confident82.1Confident128 Ų12854.5 Ų54.567%0.6727%0.271SS*.Hα-helixtrans-52.7-42.2-177.3-68.5172.8000112.3V47 Q48 E49L45-V47 PolarHBondContact O-N 2.99Å; L45-Q48 PolarHBondContact O-N 3.48Å; L45-E49 WeakPolarHBondContact O-CB 3.31Å; L45-E49 VanDerWaalsContact O-CG 3.32Å; L45-E49 WeakPolarHBondContact O-CG 3.38Å; L45-E49 PolarHBondContact O-N 3.15Å
46T80.5Confident82.4Confident39 Ų3953 Ų5324%0.23927%0.269CS..Hα-helixtrans-69.6-35.6-179.774.60000112.3G23 E24 G44 R50G23-T46 WeakPolarHBondContact O-CB 3.13Å; G23-T46 PolarHBondContact O-N 3.05Å; G23-T46 PolarHBondContact O-OG1 3.44Å; E24-T46 WeakPolarHBondContact CA-OG1 3.48Å; E24-T46 VanDerWaalsContact CG-OG1 3.22Å; E24-T46 WeakPolarHBondContact CG-OG1 3.29Å; E24-T46 PolarHBondContact N-OG1 2.88Å; G44-T46 PolarHBondContact O-N 2.91Å; T46-R50 WeakPolarHBondContact O-CB 3.25Å; T46-R50 WeakPolarHBondContact O-CG 3.29Å; T46-R50 PolarHBondContact O-N 3.48Å
47V82.4Confident82.2Confident8 Ų851.9 Ų51.95%0.04827%0.266CS..Hα-helixtrans-67.8-42.9174.7170.30000110G23 I26 A43 G44 L45 R50 A51 L94G23-V47 PolarHBondContact O-N 2.6Å; I26-V47 HydrophobicContact CD1-CG1 4.07Å; I26-V47 HydrophobicContact CD1-CG2 4.41Å; I26-V47 HydrophobicContact CG1-CG1 4.13Å; I26-V47 HydrophobicContact CG1-CG2 4.13Å; A43-V47 HydrophobicContact CB-CB 4.03Å; A43-V47 HydrophobicContact CB-CG1 3.67Å; G44-V47 PolarHBondContact O-N 3.44Å; L45-V47 PolarHBondContact O-N 2.99Å; V47-R50 PolarHBondContact O-N 3.01Å; V47-A51 WeakPolarHBondContact O-CB 3.36Å; V47-A51 PolarHBondContact O-N 2.82Å; V47-L94 HydrophobicContact CG1-CD2 4.04Å; V47-L94 HydrophobicContact CG2-CD2 4.38Å
48Q83.3Confident81.7Confident94 Ų9458 Ų5844%0.43930%0.298SS..Hα-helixtrans-62.7-45.9178.1-173.1175.4-9.100111.2G44 L45 R50 A51 E52G44-Q48 PolarHBondContact O-N 2.78Å; L45-Q48 PolarHBondContact O-N 3.48Å; Q48-R50 VanDerWaalsContact C-N 3.33Å; Q48-R50 PolarHBondContact O-N 3.17Å; Q48-A51 PolarHBondContact O-N 3.43Å; Q48-E52 HydrophobicContact CG-CG 4.44Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.47Å; Q48-E52 PolarHBondContact NE2-OE1 2.8Å; Q48-E52 VanDerWaalsContact NE2-OE1 3.07Å; Q48-E52 WeakPolarHBondContact O-CB 3.46Å; Q48-E52 WeakPolarHBondContact O-CG 3.38Å; Q48-E52 PolarHBondContact O-N 3.28Å
49E81.4Confident81.2Confident100 Ų10061.7 Ų61.747%0.46731%0.311SS..Hα-helixtrans-59.3-42.5174.2-76.8177.4-168.800112.3L45 E52 R53L45-E49 WeakPolarHBondContact O-CB 3.31Å; L45-E49 VanDerWaalsContact O-CG 3.32Å; L45-E49 WeakPolarHBondContact O-CG 3.38Å; L45-E49 PolarHBondContact O-N 3.15Å; E49-E52 PolarHBondContact O-N 3.04Å; E49-R53 VanDerWaalsContact O-CG 3.29Å; E49-R53 WeakPolarHBondContact O-CG 3.43Å; E49-R53 PolarHBondContact O-N 3.39Å
50R80.5Confident80.5Confident54 Ų5469.9 Ų69.920%0.20434%0.343CS..Hα-helixtrans-64-42.8176.2-73.4-178.7-159.2-179.115.9111.3E24 T46 V47 Q48 R53 L54 A97 D98 I101E24-R50 IonicContact OE1-CZ 3.84Å; E24-R50 IonicContact OE1-NH2 2.81Å; E24-R50 PolarHBondContact OE1-NH2 3.19Å; T46-R50 WeakPolarHBondContact O-CB 3.25Å; T46-R50 WeakPolarHBondContact O-CG 3.29Å; T46-R50 PolarHBondContact O-N 3.48Å; V47-R50 PolarHBondContact O-N 3.01Å; Q48-R50 VanDerWaalsContact C-N 3.33Å; Q48-R50 PolarHBondContact O-N 3.17Å; R50-R53 PolarHBondContact O-N 3.18Å; R50-L54 PolarHBondContact O-N 2.93Å; R50-L54 VanDerWaalsContact O-N 3.11Å; R50-A97 HydrophobicContact CB-CB 3.99Å; R50-D98 WeakPolarHBondContact CD-OD1 3.47Å; R50-D98 IonicContact CZ-OD1 3.14Å; R50-D98 IonicContact NE-OD1 3.68Å; R50-D98 IonicContact NH1-OD1 3.79Å; R50-D98 PolarHBondContact NH1-OD1 3.25Å; R50-D98 IonicContact NH1-OD2 3.01Å; R50-D98 PolarHBondContact NH1-OD2 3.45Å; R50-I101 HydrophobicContact CB-CD1 4.37Å; R50-I101 HydrophobicContact CG-CD1 3.68Å
51A80.5Confident80.1Confident13 Ų1370 Ų7011%0.10735%0.345CS..Hα-helixtrans-67.1-40.617800000112.2V47 Q48 L54 K55 V62 M93V47-A51 WeakPolarHBondContact O-CB 3.36Å; V47-A51 PolarHBondContact O-N 2.82Å; Q48-A51 PolarHBondContact O-N 3.43Å; A51-L54 WeakPolarHBondContact O-CB 3.23Å; A51-L54 PolarHBondContact O-N 3.41Å; A51-K55 PolarHBondContact O-N 2.96Å; A51-V62 HydrophobicContact CB-CG2 3.7Å; A51-M93 HydrophobicContact CB-SD 4.39Å
52E82.5Confident79.8Confident109 Ų10970.4 Ų70.451%0.50935%0.348SS..Hα-helixtrans-65.2-39.4176.5-75.6177.3-170.800111.8Q48 E49 L54 K55 A56Q48-E52 HydrophobicContact CG-CG 4.44Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.47Å; Q48-E52 PolarHBondContact NE2-OE1 2.8Å; Q48-E52 VanDerWaalsContact NE2-OE1 3.07Å; Q48-E52 WeakPolarHBondContact O-CB 3.46Å; Q48-E52 WeakPolarHBondContact O-CG 3.38Å; Q48-E52 PolarHBondContact O-N 3.28Å; E49-E52 PolarHBondContact O-N 3.04Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.21Å; E52-K55 WeakPolarHBondContact O-CB 3.36Å; E52-K55 PolarHBondContact O-N 2.93Å; E52-A56 PolarHBondContact O-N 3.06Å; E52-A56 VanDerWaalsContact O-N 3.12Å
53R78.8Confident79.6Confident140 Ų14075.2 Ų75.253%0.52837%0.373SS..Hα-helixtrans-63.6-35.1172.4-73.2176.9-173.51786.4112.8E49 R50E49-R53 VanDerWaalsContact O-CG 3.29Å; E49-R53 WeakPolarHBondContact O-CG 3.43Å; E49-R53 PolarHBondContact O-N 3.39Å; R50-R53 PolarHBondContact O-N 3.18Å
54L78.9Confident79.5Confident4 Ų478.7 Ų78.72%0.02139%0.386CS..Hα-helixtrans-72.4-36.2173.5-79.1-176.6000112.6R50 A51 E52 A56 L57 Y59 M93 L96 A97 K100R50-L54 PolarHBondContact O-N 2.93Å; R50-L54 VanDerWaalsContact O-N 3.11Å; A51-L54 WeakPolarHBondContact O-CB 3.23Å; A51-L54 PolarHBondContact O-N 3.41Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.21Å; L54-A56 PolarHBondContact O-N 2.62Å; L54-L57 HydrophobicContact CD2-CD1 4.44Å; L54-L57 CarbonylContact O-C 3.57Å; L54-L57 WeakPolarHBondContact O-CA 3.48Å; L54-L57 WeakPolarHBondContact O-CB 3.16Å; L54-L57 PolarHBondContact O-N 2.76Å; L54-Y59 HydrophobicContact CD2-CD2 4.4Å; L54-Y59 WeakPolarHBondContact O-CB 3.37Å; L54-Y59 PolarHBondContact O-N 3.48Å; L54-M93 HydrophobicContact CD1-CG 3.5Å; L54-M93 WeakPolarHBondContact CD1-O 3.44Å; L54-M93 HydrophobicContact CD1-SD 4.39Å; L54-L96 HydrophobicContact CD2-CD2 3.51Å; L54-A97 HydrophobicContact CD1-CB 3.49Å; L54-A97 VanDerWaalsContact CD1-CB 3.49Å; L54-A97 HydrophobicContact CD2-CB 4.35Å; L54-A97 HydrophobicContact CG-CB 3.8Å; L54-K100 HydrophobicContact CD2-CD 4.26Å
55K80.3Confident79.5Confident126 Ų12679.2 Ų79.255%0.54839%0.388SS..Hα-helixtrans-58.9-36.6174.5-172.1-177.4179.4-177.20111.3A51 E52 L57 D58A51-K55 PolarHBondContact O-N 2.96Å; E52-K55 WeakPolarHBondContact O-CB 3.36Å; E52-K55 PolarHBondContact O-N 2.93Å; K55-L57 PolarHBondContact O-N 2.76Å; K55-D58 PolarHBondContact O-N 3.28Å
56A78.1Confident79.6Confident84 Ų8473.7 Ų73.769%0.69436%0.359SS*.THydrogen-bonded Turntrans-66-10.1173.300000114.2E52 L54E52-A56 PolarHBondContact O-N 3.06Å; E52-A56 VanDerWaalsContact O-N 3.12Å; L54-A56 PolarHBondContact O-N 2.62Å
57L71.6Confident79.9Confident89 Ų8976.5 Ų76.547%0.46637%0.369SS..THydrogen-bonded Turntrans-111.324179.3-63.3170.2000112L54 K55 Y59 K100L54-L57 HydrophobicContact CD2-CD1 4.44Å; L54-L57 CarbonylContact O-C 3.57Å; L54-L57 WeakPolarHBondContact O-CA 3.48Å; L54-L57 WeakPolarHBondContact O-CB 3.16Å; L54-L57 PolarHBondContact O-N 2.76Å; K55-L57 PolarHBondContact O-N 2.76Å; L57-Y59 VanDerWaalsContact C-N 3.33Å; L57-Y59 HydrophobicContact CB-CD2 3.95Å; L57-Y59 HydrophobicContact CB-CE2 4.19Å; L57-Y59 WeakPolarHBondContact O-CD2 3.27Å; L57-Y59 WeakPolarHBondContact O-CE2 3.3Å; L57-Y59 PolarHBondContact O-N 3.04Å; L57-K100 HydrophobicContact CD1-CD 3.53Å
58D73.1Confident80.2Confident164 Ų16481.4 Ų81.488%0.87739%0.39SS*.THydrogen-bonded Turntrans63.227.2-178.5-63-34.4000115.4K55K55-D58 PolarHBondContact O-N 3.28Å
59Y72.8Confident80.3Confident91 Ų9177.1 Ų77.136%0.35737%0.37SS..PPolyproline II helixtrans-91.2149.1171.2-72.1-99.3000111.8L54 L57 S61 L96 K100L54-Y59 HydrophobicContact CD2-CD2 4.4Å; L54-Y59 WeakPolarHBondContact O-CB 3.37Å; L54-Y59 PolarHBondContact O-N 3.48Å; L57-Y59 VanDerWaalsContact C-N 3.33Å; L57-Y59 HydrophobicContact CB-CD2 3.95Å; L57-Y59 HydrophobicContact CB-CE2 4.19Å; L57-Y59 WeakPolarHBondContact O-CD2 3.27Å; L57-Y59 WeakPolarHBondContact O-CE2 3.3Å; L57-Y59 PolarHBondContact O-N 3.04Å; Y59-S61 PolarHBondContact O-N 3.47Å; Y59-L96 HydrophobicContact CD1-CD1 4.37Å; Y59-L96 HydrophobicContact CD1-CD2 4.41Å; Y59-L96 HydrophobicContact CE1-CD1 3.52Å; Y59-L96 HydrophobicContact CE1-CD2 3.88Å; Y59-L96 HydrophobicContact CE1-CG 4.39Å; Y59-L96 HydrophobicContact CE2-CD2 4.27Å; Y59-K100 PolarHBondContact OH-NZ 3.48Å
60Y73.3Confident80.6Confident175 Ų17573 Ų7369%0.68635%0.351SS*.PPolyproline II helixtrans-53.8133.2176.7-64.8-78.8000111.5M93Y60-M93 WeakPolarHBondContact O-CE 3.32Å
61S78.8Confident80.9Confident16 Ų1674.7 Ų74.711%0.11236%0.361CS..PPolyproline II helixtrans-68.7153.6172.268.40000110.3Y59 D63 Q64 I65Y59-S61 PolarHBondContact O-N 3.47Å; S61-D63 PolarHBondContact O-N 3.18Å; S61-Q64 WeakPolarHBondContact O-CB 3.31Å; S61-Q64 PolarHBondContact O-N 3.3Å; S61-Q64 VanDerWaalsContact OG-CG 3.29Å; S61-Q64 WeakPolarHBondContact OG-CG 3.35Å; S61-Q64 PolarHBondContact OG-N 2.98Å; S61-I65 PolarHBondContact O-N 3.38Å
62V80.9Confident81.2Confident16 Ų1676.1 Ų76.110%0.09737%0.367CS..Hα-helixtrans-54.4-38.7175.3175.40000110.8L41 A51 Q64 I65 I66 L90 M93L41-V62 HydrophobicContact CD1-CG1 3.9Å; L41-V62 HydrophobicContact CD2-CG1 3.53Å; L41-V62 HydrophobicContact CG-CG1 4.29Å; A51-V62 HydrophobicContact CB-CG2 3.7Å; V62-Q64 PolarHBondContact O-N 3.47Å; V62-I65 PolarHBondContact O-N 3.02Å; V62-I66 HydrophobicContact CG1-CD1 3.95Å; V62-I66 VanDerWaalsContact O-CD1 3.25Å; V62-I66 WeakPolarHBondContact O-CD1 3.34Å; V62-I66 WeakPolarHBondContact O-CG1 3.36Å; V62-I66 PolarHBondContact O-N 3.35Å; V62-I66 VanDerWaalsContact O-N 3.17Å; V62-L90 HydrophobicContact CG1-CD2 4.09Å; V62-L90 HydrophobicContact CG2-CD2 4.4Å; V62-M93 HydrophobicContact CG2-CE 3.84Å; V62-M93 HydrophobicContact CG2-SD 3.77Å
63D81.9Confident81.3Confident105 Ų10571.8 Ų71.856%0.56135%0.348SS*.Hα-helixtrans-61-39.9175.8-58.8-39.5000113.2S61 I66 Q67S61-D63 PolarHBondContact O-N 3.18Å; D63-I66 PolarHBondContact O-N 3.04Å; D63-Q67 WeakPolarHBondContact O-CB 3.21Å; D63-Q67 PolarHBondContact O-N 3.49Å
64Q82.7Confident81.5Confident95 Ų9569.9 Ų69.944%0.44434%0.344SS..Hα-helixtrans-67.4-37.7178.3-75169.7-6.500111.7S61 V62 Q67 K68S61-Q64 WeakPolarHBondContact O-CB 3.31Å; S61-Q64 PolarHBondContact O-N 3.3Å; S61-Q64 VanDerWaalsContact OG-CG 3.29Å; S61-Q64 WeakPolarHBondContact OG-CG 3.35Å; S61-Q64 PolarHBondContact OG-N 2.98Å; V62-Q64 PolarHBondContact O-N 3.47Å; Q64-Q67 PolarHBondContact O-N 2.93Å; Q64-K68 WeakPolarHBondContact O-CB 3.49Å; Q64-K68 PolarHBondContact O-N 3.47Å
65I84.1Confident81.9Confident14 Ų1475.5 Ų75.57%0.07238%0.375CS..Hα-helixtrans-61.5-47.2175.7-67.7-177.9000110.2S61 V62 Q67 K68 H69 E89 M93S61-I65 PolarHBondContact O-N 3.38Å; V62-I65 PolarHBondContact O-N 3.02Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.45Å; I65-K68 PolarHBondContact O-N 3.07Å; I65-H69 PolarHBondContact O-CD2 2.93Å; I65-H69 PolarHBondContact O-N 2.89Å; I65-E89 WeakPolarHBondContact CG2-OE2 3.48Å; I65-M93 HydrophobicContact CD1-CE 3.17Å; I65-M93 HydrophobicContact CG1-CE 4.3Å
66I85.9Confident82Confident12 Ų1272.5 Ų72.56%0.06238%0.379CS..Hα-helixtrans-66.5-40.4-179.8-60.5148.4000110.8L39 L41 V62 D63 H69 N70L39-I66 HydrophobicContact CB-CG2 4.25Å; L39-I66 WeakPolarHBondContact O-CG2 3.1Å; L41-I66 HydrophobicContact CB-CD1 3.15Å; L41-I66 HydrophobicContact CB-CG1 3.9Å; L41-I66 HydrophobicContact CD1-CD1 3.84Å; L41-I66 HydrophobicContact CD1-CG1 4.05Å; L41-I66 HydrophobicContact CD2-CD1 4.35Å; L41-I66 HydrophobicContact CG-CD1 3.95Å; V62-I66 HydrophobicContact CG1-CD1 3.95Å; V62-I66 VanDerWaalsContact O-CD1 3.25Å; V62-I66 WeakPolarHBondContact O-CD1 3.34Å; V62-I66 WeakPolarHBondContact O-CG1 3.36Å; V62-I66 PolarHBondContact O-N 3.35Å; V62-I66 VanDerWaalsContact O-N 3.17Å; D63-I66 PolarHBondContact O-N 3.04Å; I66-H69 PolarHBondContact O-N 3.48Å; I66-N70 WeakPolarHBondContact O-CB 3.39Å; I66-N70 VanDerWaalsContact O-CG 3.31Å; I66-N70 PolarHBondContact O-N 3.23Å; I66-N70 PolarHBondContact O-ND2 3Å
67Q86.6Confident82.4Confident98 Ų9873.9 Ų73.946%0.45837%0.37SS..Hα-helixtrans-61.1-47.3177.7-175.3175.2-13.900111.3D63 Q64 I65 H69 N70 E71D63-Q67 WeakPolarHBondContact O-CB 3.21Å; D63-Q67 PolarHBondContact O-N 3.49Å; Q64-Q67 PolarHBondContact O-N 2.93Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.45Å; Q67-H69 VanDerWaalsContact C-N 3.3Å; Q67-H69 PolarHBondContact O-N 3.04Å; Q67-N70 WeakPolarHBondContact O-CB 3.43Å; Q67-N70 PolarHBondContact O-N 2.95Å; Q67-E71 PolarHBondContact O-N 3.44Å
68K87.5Confident83.1Confident111 Ų11173.6 Ų73.648%0.48337%0.373SS..Hα-helixtrans-57.1-42.9174.8-179.2-172.4176.7-167.10112.1Q64 I65 E71 N72Q64-K68 WeakPolarHBondContact O-CB 3.49Å; Q64-K68 PolarHBondContact O-N 3.47Å; I65-K68 PolarHBondContact O-N 3.07Å; K68-E71 PolarHBondContact O-N 3.39Å; K68-N72 PolarHBondContact O-N 3.19Å
69H87Confident83.7Confident4 Ų467.6 Ų67.62%0.01934%0.341CS..Hα-helixtrans-75.6-26.8179-77.4-58.4000113.7I65 I66 Q67 E71 N72 L73 V82 S85 I86 E89I65-H69 PolarHBondContact O-CD2 2.93Å; I65-H69 PolarHBondContact O-N 2.89Å; I66-H69 PolarHBondContact O-N 3.48Å; Q67-H69 VanDerWaalsContact C-N 3.3Å; Q67-H69 PolarHBondContact O-N 3.04Å; H69-E71 VanDerWaalsContact C-N 3.35Å; H69-N72 PolarHBondContact ND1-ND2 3.49Å; H69-N72 WeakPolarHBondContact O-CB 3.45Å; H69-N72 PolarHBondContact O-N 3.21Å; H69-L73 WeakPolarHBondContact O-CG 3.38Å; H69-L73 PolarHBondContact O-N 3.39Å; H69-V82 HydrophobicContact CB-CG1 3.69Å; H69-S85 PolarHBondContact CE1-OG 3.28Å; H69-I86 HydrophobicContact CB-CD1 3.78Å; H69-I86 HydrophobicContact CB-CG1 3.83Å; H69-I86 WeakPolarHBondContact CD2-CG1 3.32Å; H69-E89 IonicContact CD2-OE2 3.17Å; H69-E89 IonicContact CE1-OE2 2.71Å; H69-E89 IonicContact NE2-OE1 2.76Å; H69-E89 IonicContact NE2-OE2 3.66Å; H69-E89 PolarHBondContact NE2-OE2 3.4Å
70N86.6Confident84.4Confident13 Ų1370.6 Ų70.67%0.0736%0.356CS..Hα-helixtrans-66.4-38.1169.8-80.6-26.7000111.2L39 I66 Q67 N72 L73 E74L39-N70 VanDerWaalsContact CB-OD1 3.29Å; L39-N70 WeakPolarHBondContact CB-OD1 3.22Å; L39-N70 PolarHBondContact N-OD1 3.35Å; L39-N70 PolarHBondContact O-ND2 3.14Å; I66-N70 WeakPolarHBondContact O-CB 3.39Å; I66-N70 VanDerWaalsContact O-CG 3.31Å; I66-N70 PolarHBondContact O-N 3.23Å; I66-N70 PolarHBondContact O-ND2 3Å; Q67-N70 WeakPolarHBondContact O-CB 3.43Å; Q67-N70 PolarHBondContact O-N 2.95Å; N70-N72 VanDerWaalsContact C-N 3.33Å; N70-L73 WeakPolarHBondContact O-CB 3.33Å; N70-L73 PolarHBondContact O-N 3.31Å; N70-E74 WeakPolarHBondContact O-CG 3.45Å; N70-E74 PolarHBondContact O-N 2.85Å
71E87.2Confident85.1Confident89 Ų8964.5 Ų64.542%0.41634%0.342SS..Hα-helixtrans-63.3-39.9172.4-68.8166.5-167.500111.2Q67 K68 H69 L73 E74 N75Q67-E71 PolarHBondContact O-N 3.44Å; K68-E71 PolarHBondContact O-N 3.39Å; H69-E71 VanDerWaalsContact C-N 3.35Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.41Å; E71-E74 PolarHBondContact O-N 3.28Å; E71-N75 VanDerWaalsContact O-CG 3.22Å; E71-N75 PolarHBondContact O-N 3.01Å; E71-N75 PolarHBondContact O-ND2 3.37Å
72N86.3Confident85.6Confident43 Ų4364 Ų6423%0.2334%0.338CS..Hα-helixtrans-61.5-38.8172.1-66.8-26.1000112.2K68 H69 N70 N75 G76 F77 V82K68-N72 PolarHBondContact O-N 3.19Å; H69-N72 PolarHBondContact ND1-ND2 3.49Å; H69-N72 WeakPolarHBondContact O-CB 3.45Å; H69-N72 PolarHBondContact O-N 3.21Å; N70-N72 VanDerWaalsContact C-N 3.33Å; N72-N75 PolarHBondContact O-N 3.04Å; N72-G76 PolarHBondContact O-N 3.17Å; N72-F77 HydrophobicContact CB-CB 4.41Å; N72-F77 HydrophobicContact CB-CD2 3.96Å; N72-F77 HydrophobicContact CB-CG 4.28Å; N72-F77 WeakPolarHBondContact O-CB 3.29Å; N72-F77 WeakPolarHBondContact O-CD2 3.24Å; N72-F77 PolarHBondContact O-N 3.28Å; N72-F77 VanDerWaalsContact O-N 3.14Å; N72-V82 HydrophobicContact CB-CG2 4.38Å
73L84.7Confident85.9Confident19 Ų1964.8 Ų64.810%0.09934%0.342CS..Hα-helixtrans-66.6-38.2175-72.5168.7000112.4V37 L39 H69 N70 E71 N75 G76 L79 V82V37-L73 HydrophobicContact CG1-CD1 4.3Å; L39-L73 HydrophobicContact CD1-CD1 3.56Å; L39-L73 HydrophobicContact CD2-CD1 4.11Å; L39-L73 HydrophobicContact CG-CD1 3.48Å; L39-L73 VanDerWaalsContact CG-CD1 3.48Å; H69-L73 WeakPolarHBondContact O-CG 3.38Å; H69-L73 PolarHBondContact O-N 3.39Å; N70-L73 WeakPolarHBondContact O-CB 3.33Å; N70-L73 PolarHBondContact O-N 3.31Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.41Å; L73-N75 PolarHBondContact O-N 2.84Å; L73-G76 PolarHBondContact O-N 3.32Å; L73-G76 VanDerWaalsContact O-N 3.16Å; L73-L79 HydrophobicContact CD1-CD1 4.35Å; L73-L79 HydrophobicContact CD2-CB 4.32Å; L73-L79 HydrophobicContact CD2-CD1 3.99Å; L73-V82 HydrophobicContact CD1-CG1 4.23Å; L73-V82 HydrophobicContact CD2-CB 3.99Å; L73-V82 HydrophobicContact CD2-CG1 4.24Å; L73-V82 HydrophobicContact CD2-CG2 3.73Å; L73-V82 HydrophobicContact CG-CB 4.27Å; L73-V82 HydrophobicContact CG-CG1 3.99Å; L73-V82 HydrophobicContact CG-CG2 4.03Å
74E84Confident86.3Confident99 Ų9964 Ų6446%0.46334%0.335SS..Hα-helixtrans-64.3-32.1174.1-70.9174.5-166.900111.2R3 N70 E71 G76R3-E74 IonicContact NH2-OE1 3.26Å; R3-E74 PolarHBondContact NH2-OE1 3.48Å; N70-E74 WeakPolarHBondContact O-CG 3.45Å; N70-E74 PolarHBondContact O-N 2.85Å; E71-E74 PolarHBondContact O-N 3.28Å; E74-G76 PolarHBondContact O-N 2.85Å
75N85.7Confident86.5Confident122 Ų12261.4 Ų61.465%0.65233%0.327SS*.THydrogen-bonded Turntrans-77.73.8174.2-66.9-28.9000114.7E71 N72 L73 F77E71-N75 VanDerWaalsContact O-CG 3.22Å; E71-N75 PolarHBondContact O-N 3.01Å; E71-N75 PolarHBondContact O-ND2 3.37Å; N72-N75 PolarHBondContact O-N 3.04Å; L73-N75 PolarHBondContact O-N 2.84Å; N75-F77 HydrophobicContact CB-CD2 4.08Å; N75-F77 HydrophobicContact CB-CE2 4.19Å
76G83.6Confident86.7Confident63 Ų6360.9 Ų60.965%0.64932%0.324SS*.THydrogen-bonded Turntrans88.112.1174.500000115.6N72 L73 E74N72-G76 PolarHBondContact O-N 3.17Å; L73-G76 PolarHBondContact O-N 3.32Å; L73-G76 VanDerWaalsContact O-N 3.16Å; E74-G76 PolarHBondContact O-N 2.85Å
77F86.1Confident86.8Confident113 Ų11364 Ų6450%0.49634%0.34SS..  trans-64.8143.5174.6-76.3-97.2000111.5N72 N75 L79 V82N72-F77 HydrophobicContact CB-CB 4.41Å; N72-F77 HydrophobicContact CB-CD2 3.96Å; N72-F77 HydrophobicContact CB-CG 4.28Å; N72-F77 WeakPolarHBondContact O-CB 3.29Å; N72-F77 WeakPolarHBondContact O-CD2 3.24Å; N72-F77 PolarHBondContact O-N 3.28Å; N72-F77 VanDerWaalsContact O-N 3.14Å; N75-F77 HydrophobicContact CB-CD2 4.08Å; N75-F77 HydrophobicContact CB-CE2 4.19Å; F77-L79 PolarHBondContact O-N 3.11Å; F77-V82 HydrophobicContact CB-CG2 3.79Å
78P87.3Confident86.9Confident83 Ų8366.5 Ų66.554%0.53935%0.35SS..  trans-66.5130.6-179.324.8-30.9000110.7K80 A81 V82P78-K80 PolarHBondContact O-N 3.26Å; P78-A81 HydrophobicContact CG-CB 3.82Å; P78-A81 PolarHBondContact O-N 3.01Å; P78-V82 PolarHBondContact O-N 3.18Å; P78-V82 VanDerWaalsContact O-N 3.15Å
79L85.2Confident86.8Confident39 Ų3964.1 Ų64.120%0.20434%0.34CS..Hα-helixtrans-49.8-36.8-178.6177.166000113.4V30 V37 L39 L73 F77 V82 L83V30-L79 HydrophobicContact CG1-CD1 4.03Å; V30-L79 HydrophobicContact CG1-CD2 3.84Å; V37-L79 HydrophobicContact CG1-CD1 4.14Å; L39-L79 HydrophobicContact CD2-CD1 3.94Å; L73-L79 HydrophobicContact CD1-CD1 4.35Å; L73-L79 HydrophobicContact CD2-CB 4.32Å; L73-L79 HydrophobicContact CD2-CD1 3.99Å; F77-L79 PolarHBondContact O-N 3.11Å; L79-V82 PolarHBondContact O-N 2.79Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 PolarHBondContact O-N 3.37Å
80K87.8Confident86.7Confident154 Ų15464.4 Ų64.467%0.6734%0.342SS*.Hα-helixtrans-61.3-46.9177.6-175.6-178173.5-172.90111.7P78 L83 E84P78-K80 PolarHBondContact O-N 3.26Å; K80-L83 PolarHBondContact O-N 3.33Å; K80-E84 WeakPolarHBondContact CE-OE1 3.3Å; K80-E84 WeakPolarHBondContact O-CG 3.28Å; K80-E84 PolarHBondContact O-N 2.7Å
81A88.1Confident86.6Confident47 Ų4765.6 Ų65.639%0.38836%0.357SS..Hα-helixtrans-66.9-40.5-18000000111.4P78 E84 S85P78-A81 HydrophobicContact CG-CB 3.82Å; P78-A81 PolarHBondContact O-N 3.01Å; A81-E84 PolarHBondContact O-N 3.38Å; A81-S85 WeakPolarHBondContact O-CB 3.4Å; A81-S85 PolarHBondContact O-N 2.88Å
82V88.6Confident86.5Confident5 Ų564.2 Ų64.23%0.0336%0.361CS..Hα-helixtrans-63-45.7176.4178.20000110.9L39 H69 N72 L73 F77 P78 L79 E84 S85 I86L39-V82 HydrophobicContact CD1-CG1 4.06Å; H69-V82 HydrophobicContact CB-CG1 3.69Å; N72-V82 HydrophobicContact CB-CG2 4.38Å; L73-V82 HydrophobicContact CD1-CG1 4.23Å; L73-V82 HydrophobicContact CD2-CB 3.99Å; L73-V82 HydrophobicContact CD2-CG1 4.24Å; L73-V82 HydrophobicContact CD2-CG2 3.73Å; L73-V82 HydrophobicContact CG-CB 4.27Å; L73-V82 HydrophobicContact CG-CG1 3.99Å; L73-V82 HydrophobicContact CG-CG2 4.03Å; F77-V82 HydrophobicContact CB-CG2 3.79Å; P78-V82 PolarHBondContact O-N 3.18Å; P78-V82 VanDerWaalsContact O-N 3.15Å; L79-V82 PolarHBondContact O-N 2.79Å; V82-E84 PolarHBondContact O-N 2.83Å; V82-S85 PolarHBondContact O-N 2.86Å; V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 HydrophobicContact CG1-CG1 4.42Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.35Å; V82-I86 PolarHBondContact O-N 3.17Å
83L86.9Confident86.4Confident33 Ų3363.2 Ų63.217%0.17336%0.355CS..Hα-helixtrans-64.3-42.1179.1-171.665.4000112.1I28 L79 K80 S85 I86 I87I28-L83 HydrophobicContact CD1-CD1 3.94Å; I28-L83 HydrophobicContact CG2-CD1 4.1Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 PolarHBondContact O-N 3.37Å; K80-L83 PolarHBondContact O-N 3.33Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 3.41Å; L83-I86 PolarHBondContact O-N 3.48Å; L83-I87 HydrophobicContact CG-CD1 4.11Å; L83-I87 VanDerWaalsContact O-CG1 3.27Å; L83-I87 WeakPolarHBondContact O-CG1 3.43Å; L83-I87 PolarHBondContact O-N 2.93Å
84E89.5Confident86.3Confident89 Ų8964.1 Ų64.142%0.41636%0.36SS..Hα-helixtrans-62.7-39.2174.5-75.4177.8-165.400112K80 A81 V82 I87 K88K80-E84 WeakPolarHBondContact CE-OE1 3.3Å; K80-E84 WeakPolarHBondContact O-CG 3.28Å; K80-E84 PolarHBondContact O-N 2.7Å; A81-E84 PolarHBondContact O-N 3.38Å; V82-E84 PolarHBondContact O-N 2.83Å; E84-I87 PolarHBondContact O-N 3.42Å; E84-K88 WeakPolarHBondContact O-CB 3.45Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.48Å; E84-K88 PolarHBondContact O-N 3.42Å
85S88.5Confident86.3Confident40 Ų4065 Ų6528%0.2837%0.367SS..Hα-helixtrans-65.4-44.5176.2-173.60000111.6H69 A81 V82 L83 I87 K88 E89H69-S85 PolarHBondContact CE1-OG 3.28Å; A81-S85 WeakPolarHBondContact O-CB 3.4Å; A81-S85 PolarHBondContact O-N 2.88Å; V82-S85 PolarHBondContact O-N 2.86Å; L83-S85 VanDerWaalsContact C-N 3.31Å; L83-S85 PolarHBondContact O-N 3.41Å; S85-I87 PolarHBondContact O-N 2.9Å; S85-K88 PolarHBondContact O-N 2.81Å; S85-E89 WeakPolarHBondContact O-CB 3.44Å; S85-E89 WeakPolarHBondContact O-CG 3.48Å; S85-E89 PolarHBondContact O-N 2.9Å
86I87.6Confident86.2Confident2 Ų261.3 Ų61.31%0.0135%0.347CS..Hα-helixtrans-59-47.3175.1-70.5165.8000110.9I28 L39 H69 V82 L83 K88 E89 L90I28-I86 HydrophobicContact CD1-CG2 3.87Å; L39-I86 HydrophobicContact CD1-CD1 3.27Å; H69-I86 HydrophobicContact CB-CD1 3.78Å; H69-I86 HydrophobicContact CB-CG1 3.83Å; H69-I86 WeakPolarHBondContact CD2-CG1 3.32Å; V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 HydrophobicContact CG1-CG1 4.42Å; V82-I86 VanDerWaalsContact O-CG1 3.3Å; V82-I86 WeakPolarHBondContact O-CG1 3.35Å; V82-I86 PolarHBondContact O-N 3.17Å; L83-I86 PolarHBondContact O-N 3.48Å; I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 2.71Å; I86-E89 PolarHBondContact O-N 2.97Å; I86-L90 HydrophobicContact CG2-CD1 3.49Å; I86-L90 VanDerWaalsContact CG2-CD1 3.49Å; I86-L90 HydrophobicContact CG2-CG 4.06Å; I86-L90 VanDerWaalsContact O-CB 3.3Å; I86-L90 WeakPolarHBondContact O-CB 3.48Å; I86-L90 VanDerWaalsContact O-CG 3.24Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.04Å
87I87.5Confident86Confident78 Ų7858.4 Ų58.440%0.432%0.317SS..Hα-helixtrans-62.9-41-179.2-68.3166000110.8L83 E84 S85 G91L83-I87 HydrophobicContact CG-CD1 4.11Å; L83-I87 VanDerWaalsContact O-CG1 3.27Å; L83-I87 WeakPolarHBondContact O-CG1 3.43Å; L83-I87 PolarHBondContact O-N 2.93Å; E84-I87 PolarHBondContact O-N 3.42Å; S85-I87 PolarHBondContact O-N 2.9Å; I87-G91 PolarHBondContact O-N 3.2Å
88K88.6Confident85.7Confident151 Ų15156.4 Ų56.466%0.65731%0.312SS*.Hα-helixtrans-64.5-46.5176.5-74.9174.7-178.4175.90111.9E84 S85 I86 G91 A92E84-K88 WeakPolarHBondContact O-CB 3.45Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.48Å; E84-K88 PolarHBondContact O-N 3.42Å; S85-K88 PolarHBondContact O-N 2.81Å; I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 2.71Å; K88-G91 PolarHBondContact O-N 2.83Å; K88-A92 WeakPolarHBondContact O-CB 3.29Å; K88-A92 PolarHBondContact O-N 2.85Å
89E85.8Confident85.4Confident60 Ų6058.4 Ų58.428%0.2831%0.314SS..Hα-helixtrans-66.7-43.6179.8-74.2-175.517800111.9I65 H69 S85 I86 A92 M93I65-E89 WeakPolarHBondContact CG2-OE2 3.48Å; H69-E89 IonicContact CD2-OE2 3.17Å; H69-E89 IonicContact CE1-OE2 2.71Å; H69-E89 IonicContact NE2-OE1 2.76Å; H69-E89 IonicContact NE2-OE2 3.66Å; H69-E89 PolarHBondContact NE2-OE2 3.4Å; S85-E89 WeakPolarHBondContact O-CB 3.44Å; S85-E89 WeakPolarHBondContact O-CG 3.48Å; S85-E89 PolarHBondContact O-N 2.9Å; I86-E89 PolarHBondContact O-N 2.97Å; E89-A92 PolarHBondContact O-N 3.48Å; E89-M93 WeakPolarHBondContact O-CB 3.29Å; E89-M93 PolarHBondContact O-N 3.11Å
90L85.2Confident84.9Confident10 Ų1059.7 Ų59.75%0.05232%0.317CS..Hα-helixtrans-63.6-41.8174.5-71.2173.4000111.6I28 L41 V62 I86 M93 L94I28-L90 HydrophobicContact CD1-CD1 4.44Å; L41-L90 HydrophobicContact CD1-CD1 3.57Å; L41-L90 HydrophobicContact CD1-CD2 4.26Å; V62-L90 HydrophobicContact CG1-CD2 4.09Å; V62-L90 HydrophobicContact CG2-CD2 4.4Å; I86-L90 HydrophobicContact CG2-CD1 3.49Å; I86-L90 VanDerWaalsContact CG2-CD1 3.49Å; I86-L90 HydrophobicContact CG2-CG 4.06Å; I86-L90 VanDerWaalsContact O-CB 3.3Å; I86-L90 WeakPolarHBondContact O-CB 3.48Å; I86-L90 VanDerWaalsContact O-CG 3.24Å; I86-L90 WeakPolarHBondContact O-CG 3.48Å; I86-L90 PolarHBondContact O-N 3.04Å; L90-M93 PolarHBondContact O-N 3.5Å; L90-L94 WeakPolarHBondContact O-CB 3.39Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 2.81Å
91G84.9Confident84.1Confident38 Ų3854.8 Ų54.839%0.39230%0.298SS..Hα-helixtrans-61.9-44.1176.100000112.3I87 K88 L95I87-G91 PolarHBondContact O-N 3.2Å; K88-G91 PolarHBondContact O-N 2.83Å; G91-L95 VanDerWaalsContact O-CB 3.28Å; G91-L95 WeakPolarHBondContact O-CB 3.35Å; G91-L95 PolarHBondContact O-N 3.19Å
92A85.7Confident83Confident60 Ų6054.9 Ų54.950%0.49630%0.299SS..Hα-helixtrans-65.6-42.4175.900000112K88 E89 L95 L96K88-A92 WeakPolarHBondContact O-CB 3.29Å; K88-A92 PolarHBondContact O-N 2.85Å; E89-A92 PolarHBondContact O-N 3.48Å; A92-L95 PolarHBondContact O-N 2.89Å; A92-L96 VanDerWaalsContact O-CB 3.32Å; A92-L96 WeakPolarHBondContact O-CB 3.32Å; A92-L96 PolarHBondContact O-N 2.95Å
93M83.1Confident81.7Confident22 Ų2258.9 Ų58.911%0.10832%0.323CS..Hα-helixtrans-59.8-50.8175.4-177.2-153.8-71.300111A51 L54 Y60 V62 I65 E89 L90 L95 L96 A97A51-M93 HydrophobicContact CB-SD 4.39Å; L54-M93 HydrophobicContact CD1-CG 3.5Å; L54-M93 WeakPolarHBondContact CD1-O 3.44Å; L54-M93 HydrophobicContact CD1-SD 4.39Å; Y60-M93 WeakPolarHBondContact O-CE 3.32Å; V62-M93 HydrophobicContact CG2-CE 3.84Å; V62-M93 HydrophobicContact CG2-SD 3.77Å; I65-M93 HydrophobicContact CD1-CE 3.17Å; I65-M93 HydrophobicContact CG1-CE 4.3Å; E89-M93 WeakPolarHBondContact O-CB 3.29Å; E89-M93 PolarHBondContact O-N 3.11Å; L90-M93 PolarHBondContact O-N 3.5Å; M93-L95 VanDerWaalsContact C-N 3.33Å; M93-L95 PolarHBondContact O-N 3.22Å; M93-L96 PolarHBondContact O-N 3.44Å; M93-A97 PolarHBondContact O-N 3.41Å
94L82Confident80.2Confident39 Ų3961.5 Ų61.520%0.20434%0.344CS..Hα-helixtrans-62.5-40.6-179.8-75.4174.5000112.2I26 V47 L90 L96 A97 D98I26-L94 HydrophobicContact CD1-CD1 3.88Å; V47-L94 HydrophobicContact CG1-CD2 4.04Å; V47-L94 HydrophobicContact CG2-CD2 4.38Å; L90-L94 WeakPolarHBondContact O-CB 3.39Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 2.81Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.91Å; L94-A97 WeakPolarHBondContact O-CB 3.5Å; L94-A97 PolarHBondContact O-N 3.44Å; L94-D98 PolarHBondContact O-N 3.17Å
95L84.8Confident78.5Confident117 Ų11761.9 Ų61.961%0.61336%0.357SS*.Hα-helixtrans-65-38.4177.1-170.6142.4000111.6G91 A92 M93 D98 Q99G91-L95 VanDerWaalsContact O-CB 3.28Å; G91-L95 WeakPolarHBondContact O-CB 3.35Å; G91-L95 PolarHBondContact O-N 3.19Å; A92-L95 PolarHBondContact O-N 2.89Å; M93-L95 VanDerWaalsContact C-N 3.33Å; M93-L95 PolarHBondContact O-N 3.22Å; L95-D98 PolarHBondContact O-N 3.29Å; L95-Q99 WeakPolarHBondContact O-CB 3.4Å; L95-Q99 PolarHBondContact O-N 3.48Å
96L83.5Confident76.7Confident45 Ų4568.6 Ų68.624%0.23638%0.381CS..Hα-helixtrans-67.5-39.4174.1-165.2156000111.3L54 Y59 A92 M93 L94 D98 Q99 K100L54-L96 HydrophobicContact CD2-CD2 3.51Å; Y59-L96 HydrophobicContact CD1-CD1 4.37Å; Y59-L96 HydrophobicContact CD1-CD2 4.41Å; Y59-L96 HydrophobicContact CE1-CD1 3.52Å; Y59-L96 HydrophobicContact CE1-CD2 3.88Å; Y59-L96 HydrophobicContact CE1-CG 4.39Å; Y59-L96 HydrophobicContact CE2-CD2 4.27Å; A92-L96 VanDerWaalsContact O-CB 3.32Å; A92-L96 WeakPolarHBondContact O-CB 3.32Å; A92-L96 PolarHBondContact O-N 2.95Å; M93-L96 PolarHBondContact O-N 3.44Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.91Å; L96-D98 VanDerWaalsContact C-N 3.35Å; L96-Q99 PolarHBondContact O-N 3.23Å; L96-K100 HydrophobicContact CD2-CD 3.86Å; L96-K100 HydrophobicContact CD2-CG 4.13Å; L96-K100 WeakPolarHBondContact O-CB 3.35Å; L96-K100 WeakPolarHBondContact O-CG 3.48Å; L96-K100 PolarHBondContact O-N 3.29Å
97A79.2Confident74.9Confident2 Ų277.1 Ų77.12%0.01742%0.418CS..Hα-helixtrans-58.4-48.7172.800000110.6R50 L54 M93 L94 Q99 K100 I101R50-A97 HydrophobicContact CB-CB 3.99Å; L54-A97 HydrophobicContact CD1-CB 3.49Å; L54-A97 VanDerWaalsContact CD1-CB 3.49Å; L54-A97 HydrophobicContact CD2-CB 4.35Å; L54-A97 HydrophobicContact CG-CB 3.8Å; M93-A97 PolarHBondContact O-N 3.41Å; L94-A97 WeakPolarHBondContact O-CB 3.5Å; L94-A97 PolarHBondContact O-N 3.44Å; A97-Q99 PolarHBondContact O-N 3.12Å; A97-K100 PolarHBondContact O-N 3.33Å; A97-I101 WeakPolarHBondContact O-CB 3.27Å; A97-I101 WeakPolarHBondContact O-CD1 3.36Å; A97-I101 WeakPolarHBondContact O-CG1 3.14Å; A97-I101 PolarHBondContact O-N 3.24Å
98D79.9Confident73.3Confident71 Ų7177 Ų7738%0.3844%0.436SS..Hα-helixtrans-64.2-41.8-179.6-76.2-6000111.5R50 L94 L95 L96 K100 I101 A102R50-D98 WeakPolarHBondContact CD-OD1 3.47Å; R50-D98 IonicContact CZ-OD1 3.14Å; R50-D98 IonicContact NE-OD1 3.68Å; R50-D98 IonicContact NH1-OD1 3.79Å; R50-D98 PolarHBondContact NH1-OD1 3.25Å; R50-D98 IonicContact NH1-OD2 3.01Å; R50-D98 PolarHBondContact NH1-OD2 3.45Å; L94-D98 PolarHBondContact O-N 3.17Å; L95-D98 PolarHBondContact O-N 3.29Å; L96-D98 VanDerWaalsContact C-N 3.35Å; D98-K100 PolarHBondContact O-N 3.42Å; D98-I101 PolarHBondContact O-N 2.83Å; D98-A102 WeakPolarHBondContact O-CB 3.27Å; D98-A102 PolarHBondContact O-N 2.82Å
99Q81.3Confident72Confident125 Ų12580.7 Ų80.758%0.58445%0.446SS*.Hα-helixtrans-62.5-44.1176-170179.16.400111.4L95 L96 A97 A102 T103L95-Q99 WeakPolarHBondContact O-CB 3.4Å; L95-Q99 PolarHBondContact O-N 3.48Å; L96-Q99 PolarHBondContact O-N 3.23Å; A97-Q99 PolarHBondContact O-N 3.12Å; Q99-A102 PolarHBondContact O-N 3.49Å; Q99-T103 VanDerWaalsContact O-CG2 3.27Å; Q99-T103 WeakPolarHBondContact O-CG2 3.43Å; Q99-T103 PolarHBondContact O-N 3.43Å; Q99-T103 PolarHBondContact O-OG1 2.88Å
100K75.2Confident70.9Confident65 Ų6583 Ų8328%0.28346%0.459SS..Hα-helixtrans-71.6-35.5179.5-73.7-163179.7177.40113.3L54 L57 Y59 L96 A97 D98 T103 S104L54-K100 HydrophobicContact CD2-CD 4.26Å; L57-K100 HydrophobicContact CD1-CD 3.53Å; Y59-K100 PolarHBondContact OH-NZ 3.48Å; L96-K100 HydrophobicContact CD2-CD 3.86Å; L96-K100 HydrophobicContact CD2-CG 4.13Å; L96-K100 WeakPolarHBondContact O-CB 3.35Å; L96-K100 WeakPolarHBondContact O-CG 3.48Å; L96-K100 PolarHBondContact O-N 3.29Å; A97-K100 PolarHBondContact O-N 3.33Å; D98-K100 PolarHBondContact O-N 3.42Å; K100-T103 WeakPolarHBondContact CA-OG1 3.17Å; K100-T103 PolarHBondContact O-N 2.82Å; K100-T103 PolarHBondContact O-OG1 3.46Å; K100-S104 VanDerWaalsContact O-CB 3.24Å; K100-S104 WeakPolarHBondContact O-CB 3.24Å; K100-S104 PolarHBondContact O-N 3.27Å
101I69.8Low70.4Confident52 Ų5285.4 Ų85.427%0.26748%0.475SS..Hα-helixtrans-68.6-40.8174-68164.9000109.7R50 A97 D98 S104 S105R50-I101 HydrophobicContact CB-CD1 4.37Å; R50-I101 HydrophobicContact CG-CD1 3.68Å; A97-I101 WeakPolarHBondContact O-CB 3.27Å; A97-I101 WeakPolarHBondContact O-CD1 3.36Å; A97-I101 WeakPolarHBondContact O-CG1 3.14Å; A97-I101 PolarHBondContact O-N 3.24Å; D98-I101 PolarHBondContact O-N 2.83Å; I101-S104 PolarHBondContact O-N 3.41Å; I101-S105 VanDerWaalsContact O-CB 3.27Å; I101-S105 WeakPolarHBondContact O-CB 3.48Å; I101-S105 PolarHBondContact O-N 3.43Å
102A66.3Low70.1Confident49 Ų4988.6 Ų88.641%0.40549%0.491SS..Hα-helixtrans-65.5-39.7175.300000112.3D98 Q99 K106D98-A102 WeakPolarHBondContact O-CB 3.27Å; D98-A102 PolarHBondContact O-N 2.82Å; Q99-A102 PolarHBondContact O-N 3.49Å; A102-K106 WeakPolarHBondContact O-CB 3.37Å; A102-K106 WeakPolarHBondContact O-CG 3.18Å; A102-K106 PolarHBondContact O-N 2.87Å
103T61Low70.1Confident88 Ų8894.6 Ų94.654%0.5450%0.501SS..Hα-helixtrans-71.2-36.317656.40000112.1Q99 K100 K106Q99-T103 VanDerWaalsContact O-CG2 3.27Å; Q99-T103 WeakPolarHBondContact O-CG2 3.43Å; Q99-T103 PolarHBondContact O-N 3.43Å; Q99-T103 PolarHBondContact O-OG1 2.88Å; K100-T103 WeakPolarHBondContact CA-OG1 3.17Å; K100-T103 PolarHBondContact O-N 2.82Å; K100-T103 PolarHBondContact O-OG1 3.46Å; T103-K106 PolarHBondContact O-N 3.4Å
104S55.3Low70.3Confident88 Ų8894 Ų9462%0.61550%0.499SS*.Hα-helixtrans-63.7-44.8172.2-175.10000111.6K100 I101 K106 K107K100-S104 VanDerWaalsContact O-CB 3.24Å; K100-S104 WeakPolarHBondContact O-CB 3.24Å; K100-S104 PolarHBondContact O-N 3.27Å; I101-S104 PolarHBondContact O-N 3.41Å; S104-K106 PolarHBondContact O-N 2.95Å; S104-K107 PolarHBondContact O-N 3.16Å
105S52.5Low70.4Confident98 Ų9896 Ų9669%0.68551%0.513SS*.Hα-helixtrans-67.6-20.8177.1-172.70000113.5I101 K107I101-S105 VanDerWaalsContact O-CB 3.27Å; I101-S105 WeakPolarHBondContact O-CB 3.48Å; I101-S105 PolarHBondContact O-N 3.43Å; S105-K107 VanDerWaalsContact C-N 3.32Å
106K51.5Low70.5Confident180 Ų18093.2 Ų93.278%0.78351%0.507SS*.THydrogen-bonded Turntrans-82.1-0.9176.1-81.3-176.7-179.8-174.40114.3A102 T103 S104 G108A102-K106 WeakPolarHBondContact O-CB 3.37Å; A102-K106 WeakPolarHBondContact O-CG 3.18Å; A102-K106 PolarHBondContact O-N 2.87Å; T103-K106 PolarHBondContact O-N 3.4Å; S104-K106 PolarHBondContact O-N 2.95Å; K106-G108 PolarHBondContact O-N 3.48Å
107K50.9Low70.9Confident182 Ų18293.2 Ų93.279%0.79151%0.514SS*.  trans-74.785.2158.7-88.7-179.8175.6175.20108S104 S105 R109S104-K107 PolarHBondContact O-N 3.16Å; S105-K107 VanDerWaalsContact C-N 3.32Å; K107-R109 PolarHBondContact O-N 3.23Å
108G53.5Low71.4Confident74 Ų74100.5 Ų100.576%0.76355%0.545SS*.  trans-63.46217200000112.4K106 I110K106-G108 PolarHBondContact O-N 3.48Å; G108-I110 PolarHBondContact O-N 3.29Å
109R60.6Low72Confident229 Ų22999.2 Ų99.286%0.86455%0.549SS*.  trans-78.3103.1167.5-168.4178-80.8-168-4.9105.5K107K107-R109 PolarHBondContact O-N 3.23Å
110I63.3Low72.5Confident108 Ų10897.7 Ų97.755%0.55455%0.548SS*.  trans-45.4128.9168.4-60.1165.9000106.7G108 S112 A114 V115G108-I110 PolarHBondContact O-N 3.29Å; I110-S112 PolarHBondContact O-N 3.5Å; I110-A114 HydrophobicContact CG2-CB 3.9Å; I110-V115 HydrophobicContact CB-CG2 3.96Å; I110-V115 HydrophobicContact CG2-CG2 3.67Å
111P74.8Confident73.3Confident62 Ų6297.9 Ų97.940%0.40356%0.557SS.*  trans-53.7135.9-178.715.1-25.6000109.8W113 A114 V115P111-W113 HydrophobicContact CB-CD2 4.41Å; P111-W113 HydrophobicContact CB-CG 4.21Å; P111-W113 VanDerWaalsContact CB-NE1 3.27Å; P111-W113 HydrophobicContact CG-CZ2 3.98Å; P111-W113 PolarHBondContact O-N 3.05Å; P111-W113 VanDerWaalsContact O-N 3.12Å; P111-A114 HydrophobicContact CG-CB 3.86Å; P111-A114 WeakPolarHBondContact O-CA 3.33Å; P111-A114 WeakPolarHBondContact O-CB 3.45Å; P111-A114 PolarHBondContact O-N 2.88Å; P111-V115 PolarHBondContact O-N 3.04Å
112S77.7Confident74.4Confident104 Ų10497.9 Ų97.973%0.72757%0.565SS**Hα-helixtrans-55.4-34-175.548.80000112.5I110 A114 V115 A116I110-S112 PolarHBondContact O-N 3.5Å; S112-A114 VanDerWaalsContact C-N 3.32Å; S112-A114 PolarHBondContact O-N 2.89Å; S112-V115 PolarHBondContact O-N 3.25Å; S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 3.33Å
113W86.6Confident75.6Confident187 Ų18797.1 Ų97.171%0.70856%0.562SS**Hα-helixtrans-63.3-36.1174.669.3-105.5000112.6P111 A116 A117P111-W113 HydrophobicContact CB-CD2 4.41Å; P111-W113 HydrophobicContact CB-CG 4.21Å; P111-W113 VanDerWaalsContact CB-NE1 3.27Å; P111-W113 HydrophobicContact CG-CZ2 3.98Å; P111-W113 PolarHBondContact O-N 3.05Å; P111-W113 VanDerWaalsContact O-N 3.12Å; W113-A116 PolarHBondContact O-N 3.19Å; W113-A117 WeakPolarHBondContact O-CB 3.31Å; W113-A117 PolarHBondContact O-N 3.12Å
114A85.7Confident77.2Confident8 Ų898.4 Ų98.47%0.06656%0.564CS.*Hα-helixtrans-71.7-41.7178.200000110.3I110 P111 S112 A116 A117 F118I110-A114 HydrophobicContact CG2-CB 3.9Å; P111-A114 HydrophobicContact CG-CB 3.86Å; P111-A114 WeakPolarHBondContact O-CA 3.33Å; P111-A114 WeakPolarHBondContact O-CB 3.45Å; P111-A114 PolarHBondContact O-N 2.88Å; S112-A114 VanDerWaalsContact C-N 3.32Å; S112-A114 PolarHBondContact O-N 2.89Å; A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 3.44Å; A114-A117 PolarHBondContact O-N 3.19Å; A114-F118 HydrophobicContact CB-CD2 4.44Å; A114-F118 HydrophobicContact CB-CE2 4.42Å; A114-F118 WeakPolarHBondContact O-CB 3.34Å; A114-F118 WeakPolarHBondContact O-CD2 3.4Å; A114-F118 PolarHBondContact O-N 3.3Å
115V84.2Confident78.9Confident82 Ų8299.9 Ų99.950%0.49757%0.565SS.*Hα-helixtrans-59.5-43.2173.7-177.70000110.8I110 P111 S112 G119I110-V115 HydrophobicContact CB-CG2 3.96Å; I110-V115 HydrophobicContact CG2-CG2 3.67Å; P111-V115 PolarHBondContact O-N 3.04Å; S112-V115 PolarHBondContact O-N 3.25Å; V115-G119 PolarHBondContact O-N 2.7Å
116A88.8Confident80.8Confident58 Ų5899.4 Ų99.448%0.47956%0.558SS.*Hα-helixtrans-64.8-42.9176.200000112.5S112 W113 A114 G119 T120S112-A116 WeakPolarHBondContact O-CB 3.47Å; S112-A116 PolarHBondContact O-N 3.33Å; W113-A116 PolarHBondContact O-N 3.19Å; A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 3.44Å; A116-G119 PolarHBondContact O-N 2.96Å; A116-T120 WeakPolarHBondContact O-CB 3.28Å; A116-T120 VanDerWaalsContact O-CG2 3.31Å; A116-T120 WeakPolarHBondContact O-CG2 3.47Å; A116-T120 PolarHBondContact O-N 2.84Å; A116-T120 PolarHBondContact O-OG1 3.4Å
117A90.6Very high82.7Confident46 Ų4696.4 Ų96.438%0.3855%0.55SS..Hα-helixtrans-65-43.8177.700000112.3W113 A114 T120 C121W113-A117 WeakPolarHBondContact O-CB 3.31Å; W113-A117 PolarHBondContact O-N 3.12Å; A114-A117 PolarHBondContact O-N 3.19Å; A117-T120 WeakPolarHBondContact CA-OG1 3.42Å; A117-T120 PolarHBondContact O-OG1 2.95Å; A117-C121 VanDerWaalsContact O-CB 3.28Å; A117-C121 WeakPolarHBondContact O-CB 3.49Å; A117-C121 PolarHBondContact O-N 3.36Å
118F91.1Very high84.5Confident155 Ų15594 Ų9468%0.6854%0.543SS*.Hα-helixtrans-67.7-40.2175.7-75.9-63.9000111.9A114 C121 A122A114-F118 HydrophobicContact CB-CD2 4.44Å; A114-F118 HydrophobicContact CB-CE2 4.42Å; A114-F118 WeakPolarHBondContact O-CB 3.34Å; A114-F118 WeakPolarHBondContact O-CD2 3.4Å; A114-F118 PolarHBondContact O-N 3.3Å; F118-C121 PolarHBondContact O-N 3.45Å; F118-A122 WeakPolarHBondContact O-CB 3.47Å; F118-A122 PolarHBondContact O-N 3.24Å
119G90.8Very high86.3Confident44 Ų4492.9 Ų92.945%0.45453%0.526SS..Hα-helixtrans-63.8-45.1176.900000112.9V115 A116 A122 G123V115-G119 PolarHBondContact O-N 2.7Å; A116-G119 PolarHBondContact O-N 2.96Å; G119-A122 PolarHBondContact O-N 3.47Å; G119-G123 PolarHBondContact O-N 3.03Å
120T91.5Very high87.6Confident92 Ų9286.2 Ų86.256%0.56451%0.507SS*.Hα-helixtrans-65.4-42176.549.20000111.9A116 A117 G123 L124A116-T120 WeakPolarHBondContact O-CB 3.28Å; A116-T120 VanDerWaalsContact O-CG2 3.31Å; A116-T120 WeakPolarHBondContact O-CG2 3.47Å; A116-T120 PolarHBondContact O-N 2.84Å; A116-T120 PolarHBondContact O-OG1 3.4Å; A117-T120 WeakPolarHBondContact CA-OG1 3.42Å; A117-T120 PolarHBondContact O-OG1 2.95Å; T120-G123 PolarHBondContact O-N 3.48Å; T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 2.87Å
121C92.9Very high88.7Confident70 Ų7082.4 Ų82.447%0.47350%0.495SS..Hα-helixtrans-62.4-45.6175.6-171.80000112A117 F118 G123 L124 L125A117-C121 VanDerWaalsContact O-CB 3.28Å; A117-C121 WeakPolarHBondContact O-CB 3.49Å; A117-C121 PolarHBondContact O-N 3.36Å; F118-C121 PolarHBondContact O-N 3.45Å; C121-G123 VanDerWaalsContact C-N 3.34Å; C121-G123 PolarHBondContact O-N 2.99Å; C121-L124 PolarHBondContact O-N 2.88Å; C121-L125 WeakPolarHBondContact O-CG 3.41Å; C121-L125 PolarHBondContact O-N 3.3Å
122A92.8Very high89.2Confident52 Ų5284.6 Ų84.643%0.4350%0.502SS..Hα-helixtrans-61.3-41.7174.900000111.8F118 G119 L124 L125 V126F118-A122 WeakPolarHBondContact O-CB 3.47Å; F118-A122 PolarHBondContact O-N 3.24Å; G119-A122 PolarHBondContact O-N 3.47Å; A122-L124 PolarHBondContact O-N 3.26Å; A122-L125 PolarHBondContact O-N 2.92Å; A122-V126 WeakPolarHBondContact O-CG2 3.08Å; A122-V126 PolarHBondContact O-N 2.92Å
123G92.4Very high89.3Confident33 Ų3384.3 Ų84.334%0.3449%0.492SS..Hα-helixtrans-60.3-42.9174.800000113G119 T120 C121 V126 L127G119-G123 PolarHBondContact O-N 3.03Å; T120-G123 PolarHBondContact O-N 3.48Å; C121-G123 VanDerWaalsContact C-N 3.34Å; C121-G123 PolarHBondContact O-N 2.99Å; G123-V126 PolarHBondContact O-N 2.81Å; G123-L127 WeakPolarHBondContact O-CG 3.34Å; G123-L127 PolarHBondContact O-N 3.43Å
124L93Very high89Confident114 Ų11481 Ų8160%0.59749%0.488SS*.Hα-helixtrans-63.4-40.7175.2-71.3172.9000112.1T120 C121 A122 L127 M128T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 2.87Å; C121-L124 PolarHBondContact O-N 2.88Å; A122-L124 PolarHBondContact O-N 3.26Å; L124-L127 PolarHBondContact O-N 2.89Å; L124-M128 WeakPolarHBondContact O-CB 3.38Å; L124-M128 VanDerWaalsContact O-CG 3.26Å; L124-M128 WeakPolarHBondContact O-CG 3.26Å; L124-M128 PolarHBondContact O-N 3.42Å
125L92.5Very high88.5Confident119 Ų11985 Ų8562%0.62351%0.507SS*.Hα-helixtrans-63.5-40.3175.4-69.9174.4000112.2C121 A122 M128 A129C121-L125 WeakPolarHBondContact O-CG 3.41Å; C121-L125 PolarHBondContact O-N 3.3Å; A122-L125 PolarHBondContact O-N 2.92Å; L125-M128 PolarHBondContact O-N 3.43Å; L125-A129 PolarHBondContact O-N 3.36Å
126V91.9Very high87.5Confident89 Ų8988.8 Ų88.854%0.53951%0.513SS..Hα-helixtrans-66.2-42.9175.8173.90000111.1A122 G123 M128 A129 L130A122-V126 WeakPolarHBondContact O-CG2 3.08Å; A122-V126 PolarHBondContact O-N 2.92Å; G123-V126 PolarHBondContact O-N 2.81Å; V126-M128 VanDerWaalsContact C-N 3.34Å; V126-M128 PolarHBondContact O-N 2.94Å; V126-A129 PolarHBondContact O-N 2.92Å; V126-L130 HydrophobicContact CG1-CD1 4.17Å; V126-L130 WeakPolarHBondContact O-CG 3.45Å; V126-L130 PolarHBondContact O-N 3.29Å
127L90.9Very high86.1Confident116 Ų11695.7 Ų95.761%0.60753%0.526SS*.Hα-helixtrans-62.2-40.6175.3-75.5173.2000112.2G123 L124 L130 G131G123-L127 WeakPolarHBondContact O-CG 3.34Å; G123-L127 PolarHBondContact O-N 3.43Å; L124-L127 PolarHBondContact O-N 2.89Å; L127-L130 PolarHBondContact O-N 3.49Å; L127-G131 PolarHBondContact O-N 3.27Å
128M89.9Confident84.5Confident132 Ų132103.8 Ų103.865%0.6555%0.547SS*.Hα-helixtrans-62.7-43.7174.3-73.6-68.7-72.900111.5L124 L125 V126 L130 G131 L132L124-M128 WeakPolarHBondContact O-CB 3.38Å; L124-M128 VanDerWaalsContact O-CG 3.26Å; L124-M128 WeakPolarHBondContact O-CG 3.26Å; L124-M128 PolarHBondContact O-N 3.42Å; L125-M128 PolarHBondContact O-N 3.43Å; V126-M128 VanDerWaalsContact C-N 3.34Å; V126-M128 PolarHBondContact O-N 2.94Å; M128-L130 PolarHBondContact O-N 2.92Å; M128-G131 PolarHBondContact O-N 3.45Å; M128-L132 WeakPolarHBondContact O-CG 3.36Å; M128-L132 PolarHBondContact O-N 2.98Å
129A89.8Confident82.6Confident50 Ų50102.8 Ų102.841%0.41354%0.544SS..Hα-helixtrans-62.6-41.9176.200000112.1L125 V126 L132 L133L125-A129 PolarHBondContact O-N 3.36Å; V126-A129 PolarHBondContact O-N 2.92Å; A129-L132 PolarHBondContact O-N 3.42Å; A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 3.31Å
130L88.6Confident80.7Confident89 Ų89111.2 Ų111.247%0.46656%0.563SS.*Hα-helixtrans-64.7-41.5174.2-72.3172.2000111.9V126 L127 M128 L132 L133 L134V126-L130 HydrophobicContact CG1-CD1 4.17Å; V126-L130 WeakPolarHBondContact O-CG 3.45Å; V126-L130 PolarHBondContact O-N 3.29Å; L127-L130 PolarHBondContact O-N 3.49Å; M128-L130 PolarHBondContact O-N 2.92Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.27Å; L130-L133 PolarHBondContact O-N 3.02Å; L130-L134 WeakPolarHBondContact O-CG 3.35Å; L130-L134 PolarHBondContact O-N 3.36Å
131G86.7Confident78.8Confident28 Ų28110.3 Ų110.329%0.28957%0.571SS.*Hα-helixtrans-57.3-45.2174.600000112.1L127 M128 L133 L134 I135L127-G131 PolarHBondContact O-N 3.27Å; M128-G131 PolarHBondContact O-N 3.45Å; G131-L133 PolarHBondContact O-N 3.45Å; G131-L134 PolarHBondContact O-N 3Å; G131-I135 VanDerWaalsContact O-CG1 3.27Å; G131-I135 WeakPolarHBondContact O-CG1 3.27Å; G131-I135 PolarHBondContact O-N 3.43Å
132L84.9Confident76.4Confident108 Ų108110.2 Ų110.257%0.56558%0.575SS**Hα-helixtrans-66.3-35.9176.4-67.9174.8000112.9M128 A129 L130 R136M128-L132 WeakPolarHBondContact O-CG 3.36Å; M128-L132 PolarHBondContact O-N 2.98Å; A129-L132 PolarHBondContact O-N 3.42Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.27Å; L132-R136 WeakPolarHBondContact O-CB 3.4Å; L132-R136 PolarHBondContact O-N 3.04Å
133L80.4Confident73.9Confident98 Ų98117.5 Ų117.551%0.51360%0.598SS.*Hα-helixtrans-67.9-38.5174.9-72.4172000112.1A129 L130 G131 R137A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 3.31Å; L130-L133 PolarHBondContact O-N 3.02Å; G131-L133 PolarHBondContact O-N 3.45Å; L133-R137 WeakPolarHBondContact O-CG 3.4Å; L133-R137 PolarHBondContact O-N 2.84Å; L133-R137 VanDerWaalsContact O-N 3.08Å
134L80.1Confident71.8Confident117 Ų117124.8 Ų124.861%0.61362%0.62SS**Hα-helixtrans-69.6-41.8176.8-69.1175.6000111.9L130 G131 R137 R138L130-L134 WeakPolarHBondContact O-CG 3.35Å; L130-L134 PolarHBondContact O-N 3.36Å; G131-L134 PolarHBondContact O-N 3Å; L134-R137 PolarHBondContact O-N 3.4Å; L134-R138 PolarHBondContact O-N 3Å
135I75.4Confident69.2Low93 Ų93131 Ų13148%0.47764%0.636SS.*Hα-helixtrans-62-46.3175.4-66.5164.7000110.3G131 R137 R138 E139G131-I135 VanDerWaalsContact O-CG1 3.27Å; G131-I135 WeakPolarHBondContact O-CG1 3.27Å; G131-I135 PolarHBondContact O-N 3.43Å; I135-R137 VanDerWaalsContact C-N 3.28Å; I135-R137 PolarHBondContact O-N 3.28Å; I135-R138 PolarHBondContact O-N 3.49Å; I135-E139 PolarHBondContact O-N 2.91Å
136R63.7Low66.8Low162 Ų162128.8 Ų128.861%0.61164%0.642SS**Hα-helixtrans-60.5-34.3175.7-89.3-175.6173.9152.7-0.4113.6L132L132-R136 WeakPolarHBondContact O-CB 3.4Å; L132-R136 PolarHBondContact O-N 3.04Å
137R59.4Low64.4Low203 Ų203133.9 Ų133.977%0.76666%0.66SS**Hα-helixtrans-71.7-33.3174.7-78.9-175.3180-1731.1112L133 L134 I135L133-R137 WeakPolarHBondContact O-CG 3.4Å; L133-R137 PolarHBondContact O-N 2.84Å; L133-R137 VanDerWaalsContact O-N 3.08Å; L134-R137 PolarHBondContact O-N 3.4Å; I135-R137 VanDerWaalsContact C-N 3.28Å; I135-R137 PolarHBondContact O-N 3.28Å
138R56.6Low62.2Low215 Ų215133.3 Ų133.381%0.81167%0.665SS**Hα-helixtrans-73-34.7179.3-139.9175.6-176174.80.7112.6L134 I135 R140 G141L134-R138 PolarHBondContact O-N 3Å; I135-R138 PolarHBondContact O-N 3.49Å; R138-R140 PolarHBondContact O-N 3.25Å; R138-G141 PolarHBondContact O-N 3.47Å
139E51.4Low59.8Low134 Ų134136.5 Ų136.563%0.62668%0.675SS**Hα-helixtrans-70.3-29178-72.7176.2173.400113.5I135 G141I135-E139 PolarHBondContact O-N 2.91Å; E139-G141 VanDerWaalsContact C-N 3.27Å; E139-G141 PolarHBondContact O-N 3.18Å
140R50.5Low57.6Low222 Ų222141.1 Ų141.184%0.83869%0.693SS**THydrogen-bonded Turntrans-75.2-11.5177.1-69.6-177.3-173.9168.20.9114.4R138R138-R140 PolarHBondContact O-N 3.25Å
141G50.3Low55.6Low73 Ų73145.6 Ų145.675%0.75371%0.709SS**THydrogen-bonded Turntrans-102.4-5179.200000115.3R138 E139R138-G141 PolarHBondContact O-N 3.47Å; E139-G141 VanDerWaalsContact C-N 3.27Å; E139-G141 PolarHBondContact O-N 3.18Å
142A44.2Very low53.6Low67 Ų67150.7 Ų150.755%0.55473%0.734SS**  trans-133.735.9-170.500000113.5K144A142-K144 PolarHBondContact O-N 3.03Å
143F39.6Very low51.6Low205 Ų205151.6 Ų151.690%0.89974%0.74SS**  trans-69.876.5169.7-159.7-98.4000109.4R145F143-R145 PolarHBondContact O-N 3.3Å
144K48.3Very low49.9Very low186 Ų186155 Ų15581%0.80975%0.746SS**  trans-63.7125.2170.3-79.7-172.3173.1-173.90108.3A142 G146A142-K144 PolarHBondContact O-N 3.03Å; K144-G146 PolarHBondContact O-N 3.04Å
145R38.8Very low48.1Very low245 Ų245159.7 Ų159.793%0.92576%0.756SS**SBendtrans-33.9130.9159-78.8173169.7168.7-4.1111.8F143F143-R145 PolarHBondContact O-N 3.3Å
146G41.2Very low46.4Very low73 Ų73165.7 Ų165.775%0.75377%0.772SS**  trans7188.8146.800000115K144K144-G146 PolarHBondContact O-N 3.04Å
147Q42.2Very low45.4Very low196 Ų196165.9 Ų165.992%0.91678%0.778SS**  trans-147.8137.4133.5-116.8177.213.100111.5
148S44.4Very low44.9Very low103 Ų103161.4 Ų161.472%0.7278%0.784SS**  trans-58.5145.5-170.744.20000115.1D150S148-D150 PolarHBondContact O-N 3.05Å
149K39Very low44.1Very low200 Ų200154.4 Ų154.487%0.8778%0.778SS**  trans-13.9109.3133.9-104.5176.2168.8178.10111.7
150D44.9Very low43.3Very low147 Ų147158.2 Ų158.279%0.78679%0.793SS**  -179155.5120.8-119.7-24.1000111.3S148S148-D150 PolarHBondContact O-N 3.05Å
151K46.4Very low42.9Very low182 Ų182154.4 Ų154.479%0.79179%0.794SS**  trans86.786168.1-60164.7-173.7-179.70116.7D153K151-D153 PolarHBondContact O-N 2.96Å
152T43.2Very low42.2Very low135 Ų135154.4 Ų154.483%0.82880%0.795SS**  -3.8112.912452.60000114.9
153D44.6Very low41.9Very low128 Ų128153.8 Ų153.868%0.68480%0.795SS**  trans-168.9141.9131.5-130.3-6.8000114.2K151K151-D153 PolarHBondContact O-N 2.96Å
154R44.7Very low41.6Very low170 Ų170152.7 Ų152.764%0.64280%0.795SS**  trans70.382.4153.6-66.1164.2-163.7-138.3-1.6119W156R154-W156 HydrophobicContact CB-CZ2 4.48Å; R154-W156 PolarHBondContact O-N 3.24Å; R154-W156 PolarHBondContact O-NE1 3Å
155R41.5Very low41Very low215 Ų215154.2 Ų154.281%0.81180%0.797SS**  trans-66.1106146.3-179.2-176.9-170-178.16109.6K157R155-K157 PolarHBondContact O-N 3.08Å
156W40.8Very low40.8Very low218 Ų218152.5 Ų152.583%0.82680%0.796SS**  trans-85.5107.8171.3-51.172.5000108.4R154R154-W156 HydrophobicContact CB-CZ2 4.48Å; R154-W156 PolarHBondContact O-N 3.24Å; R154-W156 PolarHBondContact O-NE1 3Å
157K40.9Very low40.5Very low167 Ų167153.8 Ų153.873%0.72679%0.789SS**  trans-88114.8163-92.4-176.4174.1-178.10107.3R155 G159R155-K157 PolarHBondContact O-N 3.08Å; K157-G159 PolarHBondContact O-N 3.33Å
158A50.3Low40.1Very low109 Ų109150.5 Ų150.590%0.90179%0.788SS**  trans-69.6108168.400000109
159G40Very low39.6Very low67 Ų67154.6 Ų154.669%0.69180%0.796SS**  trans-94.5120.8167.800000109.6K157 V161K157-G159 PolarHBondContact O-N 3.33Å; G159-V161 PolarHBondContact O-N 3.49Å
160F33.6Very low39.3Very low214 Ų214156.1 Ų156.194%0.93980%0.796SS**  trans-72.1118.6167.4-113.4-99.2000108.5
161V42.5Very low38.8Very low142 Ų142153.8 Ų153.886%0.86179%0.791SS**  trans-114.597.9167-1760000106.9G159G159-V161 PolarHBondContact O-N 3.49Å
162G35.6Very low38.1Very low74 Ų74150.1 Ų150.176%0.76379%0.788SS**  trans-79.712217200000110.4
163G37.4Very low37.5Very low53 Ų53153.2 Ų153.255%0.54679%0.79SS.*  trans-105.3116.1170.100000110.8
164M33.8Very low37.1Very low183 Ų183150.9 Ų150.990%0.90178%0.784SS**  trans-84141.9166.2-77.6172.863.400110
165Y35.3Very low36.6Very low217 Ų217151.3 Ų151.385%0.85179%0.794SS**  trans-122.9132165.9-49.5-77.5000110.5
166K35.2Very low36Very low209 Ų209145 Ų14591%0.90980%0.795SS**  trans-83.1151.3174.8-88.7176.6172.7173.10110.9
167V34.2Very low35.6Very low101 Ų101138.4 Ų138.461%0.61280%0.795SS**  trans-117.8138.9172.8175.80000109.6T208V167-T208 HydrophobicContact CB-CG2 4.46Å; V167-T208 HydrophobicContact CG2-CG2 3.23Å
168S35.2Very low35Very low126 Ų126134.2 Ų134.288%0.88180%0.799SS**  trans-118.2142.8172.1-980000111.6
169Q33.3Very low34.2Very low190 Ų190136.1 Ų136.189%0.88879%0.792SS**  trans-95.8156177.5-74.8-177.7-33.100112.8
170R32.3Very low33.7Very low232 Ų232138.5 Ų138.588%0.87580%0.799SS**  trans-168.9119.1145.1-108.7-173.4169.1168.9-3.7109.8
171S33.6Very low33.7Very low97 Ų97131.9 Ų131.968%0.67878%0.779SS**  61.8139.69572.70000114.1
172S32.5Very low33.1Very low106 Ų106132.5 Ų132.574%0.74178%0.778SS**  cis170.9147.613.537.20000108
173F31.5Very low33Very low199 Ų199133.4 Ų133.487%0.87377%0.768SS**  trans-171.7113.6152.7-141.8-106000110.2
174S34.1Very low32.7Very low79 Ų79139.6 Ų139.655%0.55278%0.78SS**  52.2139.991.2-100.70000114.8
175E34.2Very low32.5Very low180 Ų180138.7 Ų138.784%0.84178%0.779SS**  cis-178.1163.9-1.2-141.4169.4140.400108.1
176G30.2Very low32.3Very low82 Ų82131.5 Ų131.585%0.84576%0.757SS**  trans86.8143.6156.200000117.2
177G31.9Very low32.1Very low80 Ų80128.9 Ų128.983%0.82575%0.746SS**  cis-173.21555.900000108.5
178G29.2Very low32Very low78 Ų78127.6 Ų127.680%0.80474%0.738SS**  trans-83.5161-170.300000115.5
179I33.1Very low32Very low149 Ų149126.8 Ų126.876%0.76472%0.72SS**  trans-136.1117.6158.5-63.3-179.9000108
180S28.6Very low32.1Very low117 Ų117124.9 Ų124.982%0.81872%0.715SS**  trans-76.8139.1169.3-177.90000110
181S34.1Very low32.3Very low76 Ų76116.8 Ų116.853%0.53169%0.689SS.*  trans-147115.8165.553.60000108.7V183S181-V183 PolarHBondContact O-N 2.91Å
182D30Very low32.5Very low155 Ų155119.2 Ų119.283%0.82969%0.693SS**  trans-48.3115.6175.9-89.6-39.1000112.3
183V32.8Very low32.6Very low92 Ų92122.8 Ų122.856%0.55870%0.695SS**  trans-120.2108161.3-1740000107.2S181 D185 V186S181-V183 PolarHBondContact O-N 2.91Å; V183-D185 PolarHBondContact O-N 3.18Å; V183-V186 HydrophobicContact CB-CG2 4.13Å; V183-V186 HydrophobicContact CG1-CG2 3.42Å; V183-V186 VanDerWaalsContact CG1-CG2 3.42Å
184K31.6Very low32.8Very low184 Ų184123.2 Ų123.280%0.870%0.697SS**THydrogen-bonded Turntrans-70.1122.4172.8-65179.7179.7-179.70108.2
185D30.4Very low32.7Very low164 Ų164122 Ų12288%0.87770%0.697SS**THydrogen-bonded Turntrans60.967171.9-58.7-25.8000118V183V183-D185 PolarHBondContact O-N 3.18Å
186V31.2Very low32.8Very low66 Ų66123.8 Ų123.840%0.470%0.696SS.*  trans-93.9107.8156-169.60000108.8V183 V188V183-V186 HydrophobicContact CB-CG2 4.13Å; V183-V186 HydrophobicContact CG1-CG2 3.42Å; V183-V186 VanDerWaalsContact CG1-CG2 3.42Å; V186-V188 HydrophobicContact CB-CG2 4.13Å; V186-V188 HydrophobicContact CG1-CG2 3.58Å; V186-V188 PolarHBondContact O-N 2.73Å; V186-V188 VanDerWaalsContact O-N 3.12Å
187K29.9Very low33.2Very low154 Ų154129.6 Ų129.667%0.6769%0.692SS**  trans-80.993.3169.5-163170.4-171.6170.10109.3H189K187-H189 WeakPolarHBondContact CE-NE2 3.46Å; K187-H189 PolarHBondContact O-N 3.48Å
188V32Very low33.4Very low74 Ų74133.9 Ų133.945%0.44869%0.688SS.*  trans-83.4107.9-179-176.20000108W17 V186W17-V188 HydrophobicContact CH2-CB 4.19Å; W17-V188 HydrophobicContact CH2-CG1 3.65Å; W17-V188 HydrophobicContact CH2-CG2 3.53Å; W17-V188 HydrophobicContact CZ2-CG2 4.39Å; W17-V188 HydrophobicContact CZ3-CG1 3.65Å; W17-V188 HydrophobicContact CZ3-CG2 4.38Å; V186-V188 HydrophobicContact CB-CG2 4.13Å; V186-V188 HydrophobicContact CG1-CG2 3.58Å; V186-V188 PolarHBondContact O-N 2.73Å; V186-V188 VanDerWaalsContact O-N 3.12Å
189H36.4Very low33.6Very low108 Ų108135.1 Ų135.150%0.568%0.682SS.*PPolyproline II helixtrans-87.1117.6171.7-83.2-89.5000109.7K187K187-H189 WeakPolarHBondContact CE-NE2 3.46Å; K187-H189 PolarHBondContact O-N 3.48Å
190L34.9Very low33.7Very low150 Ų150137.7 Ų137.779%0.78569%0.687SS**PPolyproline II helixtrans-59.1122.4-175.2-171.878.3000112.6
191L37.1Very low34.5Very low62 Ų62137.4 Ų137.433%0.32569%0.685SS.*PPolyproline II helixtrans-95.9120.7164.2-100.1155.4000109.8I26 I28 K193I26-L191 HydrophobicContact CG2-CD1 4.45Å; I26-L191 VanDerWaalsContact O-CD1 3.32Å; I26-L191 WeakPolarHBondContact O-CD1 3.44Å; I28-L191 HydrophobicContact CB-CD1 4.23Å; I28-L191 HydrophobicContact CD1-CD1 3.79Å; I28-L191 HydrophobicContact CG1-CD1 3.7Å; L191-K193 PolarHBondContact O-N 3.39Å
192I37.8Very low35.1Very low148 Ų148140.5 Ų140.576%0.75969%0.691SS**PPolyproline II helixtrans-72.5120.7-173.2-65.7168.6000110.4K194I192-K194 PolarHBondContact O-N 3.36Å
193K33.3Very low35.7Very low182 Ų182143.9 Ų143.979%0.79169%0.693SS**PPolyproline II helixtrans-68.5116.3165.3-179.5179.3-176.9173.90110.1L191L191-K193 PolarHBondContact O-N 3.39Å
194K36Very low36Very low208 Ų208149 Ų14990%0.90471%0.708SS**  trans-11974.2162-160.7-178.9-178.3-178.20110.8I192I192-K194 PolarHBondContact O-N 3.36Å
195G31.2Very low36.6Very low54 Ų54144.6 Ų144.656%0.55771%0.706SS**  trans-108100.6163.100000110.5
196R37.4Very low37Very low217 Ų217146 Ų14682%0.81971%0.707SS**  trans-153.1124.4169.6-96.3-168-177.4-163.52.6105.3
197R37.8Very low37.3Very low204 Ų204147.6 Ų147.677%0.7772%0.721SS**  cis-153.3146.314.4-60.3170.4161.5159.4-5.8108.1P199R197-P199 HydrophobicContact CB-CG 4.37Å
198K36Very low37.8Very low170 Ų170145.6 Ų145.674%0.73972%0.722SS**  trans-95.5114.4146.9-77.9-164178.4-164.70108.9E202K198-E202 IonicContact NZ-OE2 3.6Å; K198-E202 PolarHBondContact NZ-OE2 3.43Å
199P34.5Very low38.3Very low103 Ų103151.6 Ų151.667%0.66975%0.745SS**  trans-137.6147.1141.932.9-15.6000109.2R197R197-P199 HydrophobicContact CB-CG 4.37Å
200K35Very low38.5Very low204 Ų204151.2 Ų151.289%0.88776%0.76SS**SBendcis-157.812.335-152.7175.3-177.7-178.70111.7
201S44.7Very low38.7Very low111 Ų111152.3 Ų152.378%0.77677%0.765SS**SBendtrans-116.8-5.2-169.251.60000116.8
202E47.2Very low38.9Very low141 Ų141158.2 Ų158.266%0.65979%0.791SS**SBendtrans-113.810.2-173.5-72.2-176.6165.600115.3K198 F204K198-E202 IonicContact NZ-OE2 3.6Å; K198-E202 PolarHBondContact NZ-OE2 3.43Å; E202-F204 VanDerWaalsContact C-N 3.32Å; E202-F204 PolarHBondContact O-N 3.5Å
203R42.6Very low38.9Very low226 Ų226158.5 Ų158.585%0.85383%0.831SS**SBendtrans-83.21.4176.1-79.3-168.2-165.6-179.94.3115
204F39.8Very low39.2Very low199 Ų199157.3 Ų157.387%0.87383%0.833SS**SBendtrans-125.59.4-165.6-76.4-74.3000116.9E202E202-F204 VanDerWaalsContact C-N 3.32Å; E202-F204 PolarHBondContact O-N 3.5Å
205A44Very low39.4Very low92 Ų92154.6 Ų154.676%0.7683%0.829SS**SBendtrans-123.71.7-171.900000117.2
206Q39.3Very low39.8Very low193 Ų193160.2 Ų160.290%0.90284%0.844SS**SBendtrans-134.679.7-178.4-81.1-177.8-14.500112.7
207S36.5Very low40Very low99 Ų99156.9 Ų156.969%0.69285%0.846SS**  trans-176.594.7147.355.60000109.5
208T39.9Very low40.1Very low113 Ų113153.9 Ų153.969%0.69385%0.85SS**  trans-170.484.5157.59.90000109.7V167V167-T208 HydrophobicContact CB-CG2 4.46Å; V167-T208 HydrophobicContact CG2-CG2 3.23Å
209Q42.6Very low40.4Very low199 Ų199152.9 Ų152.993%0.9386%0.858SS**  trans-139.3115.9144.4-81.1-168.2-10.700106.9
210A40.1Very low40.8Very low100 Ų100156.4 Ų156.483%0.82687%0.871SS**  trans-90.7132.9169.500000108
211I40.1Very low41.3Very low173 Ų173152.8 Ų152.889%0.88787%0.87SS**  trans-87.7114.7163.7-63.1171.4000105.4
212Q40.2Very low41Very low186 Ų186156.3 Ų156.387%0.86988%0.878SS**  trans-76140.6162.9-92.7179.8-34.600108.9
213G39.4Very low40.4Very low154 Ų154157.6 Ų157.6100%1.58890%0.898SS**  trans44.20139.900000118.4

Retrieved 213 of 213 residues in 167.5 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).