A0A5K4FFE7_SCHMA Loading...

glutamine--tRNA ligase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FFE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 562 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M28.2Very low43Very low236 Ų236118.3 Ų118.3100%1.16370%0.695SS**  096.50-85.1175167.600107.7V3M1-V3 PolarHBondContact O-N 3.43Å
2L29.6Very low45.5Very low172 Ų172114.3 Ų114.390%0.90167%0.665SS**  trans-73.4105.5165.9-73.4162.6000105.2N4L2-N4 PolarHBondContact O-N 3.08Å
3V28.6Very low47.9Very low132 Ų132105.8 Ų105.880%0.862%0.616SS**  trans-58.5114172.2-1760000105.3M1 G5M1-V3 PolarHBondContact O-N 3.43Å; V3-G5 PolarHBondContact O-N 2.93Å
4N31.7Very low49.9Very low149 Ų149102.9 Ų102.980%0.79761%0.611SS**  trans-60.883.2161.8-79.3-14.2000105.8L2 D6L2-N4 PolarHBondContact O-N 3.08Å; N4-D6 PolarHBondContact O-N 3.13Å
5G34.6Very low52.1Low55 Ų55104.8 Ų104.857%0.56761%0.608SS**  trans-70.890.8169.400000106.3V3 S7V3-G5 PolarHBondContact O-N 2.93Å; G5-S7 PolarHBondContact O-N 2.88Å
6D37Very low54.5Low151 Ų15199.4 Ų99.481%0.80758%0.575SS**  trans-61.463.5157.1-76.5-23.7000108.2N4 D8N4-D6 PolarHBondContact O-N 3.13Å; D6-D8 PolarHBondContact O-N 3.26Å
7S45.2Very low56.7Low68 Ų6894.2 Ų94.248%0.47654%0.544SS..  trans-78.396.9163.758.30000105.4G5 V9 K78G5-S7 PolarHBondContact O-N 2.88Å; S7-V9 PolarHBondContact O-N 2.75Å; S7-K78 PolarHBondContact O-NZ 3Å; S7-K78 PolarHBondContact OG-NZ 2.9Å
8D52.5Low58.8Low138 Ų13896.7 Ų96.774%0.73855%0.548SS*.  trans-39.6142.2168-76.6-36.8000109.7D6 V10D6-D8 PolarHBondContact O-N 3.26Å; D8-V10 WeakPolarHBondContact O-CG2 3.47Å; D8-V10 PolarHBondContact O-N 3.13Å
9V57.3Low60.7Low34 Ų3492.8 Ų92.821%0.20653%0.527CS..  trans-60111.4173.7177.90000107.4S7 A13 A14 Y75 K78 H79S7-V9 PolarHBondContact O-N 2.75Å; V9-A13 VanDerWaalsContact CG1-C 3.49Å; V9-A13 HydrophobicContact CG1-CB 3.32Å; V9-A14 VanDerWaalsContact O-CB 3.25Å; V9-A14 WeakPolarHBondContact O-CB 3.47Å; V9-Y75 HydrophobicContact CG1-CD2 4.48Å; V9-Y75 HydrophobicContact CG1-CE2 4.35Å; V9-K78 HydrophobicContact CG2-CD 4.19Å; V9-H79 WeakPolarHBondContact CG2-NE2 3.46Å
10V59.1Low62.3Low122 Ų12288.9 Ų88.974%0.73951%0.508SS*.  trans-95148.5-176.1-157.10000110.1D8D8-V10 WeakPolarHBondContact O-CG2 3.47Å; D8-V10 PolarHBondContact O-N 3.13Å
11G69.3Low63.9Low44 Ų4488.1 Ų88.145%0.45450%0.5SS..G310 helixtrans85.8-148.3173.300000113.9A13 A14G11-A13 PolarHBondContact O-N 3.39Å; G11-A14 WeakPolarHBondContact O-CB 3.44Å; G11-A14 PolarHBondContact O-N 3.25Å
12E73.5Confident67.1Low70 Ų7076.9 Ų76.933%0.32745%0.445SS..G310 helixtrans-64.4-29.3-175.1-72-62.3144.300112.9A14 K15 M328E12-A14 PolarHBondContact O-N 3.13Å; E12-K15 WeakPolarHBondContact O-CB 3.5Å; E12-K15 PolarHBondContact O-N 2.86Å; E12-K15 IonicContact OE1-NZ 3.42Å; E12-K15 PolarHBondContact OE1-NZ 2.9Å; E12-K15 WeakPolarHBondContact OE2-CD 3.37Å; E12-K15 IonicContact OE2-NZ 3.13Å; E12-K15 PolarHBondContact OE2-NZ 3.35Å; E12-M328 HydrophobicContact CG-CG 4.46Å
13A75.9Confident70.1Confident4 Ų472.9 Ų72.93%0.03342%0.418CS..G310 helixtrans-65.5-22178.700000113.1V9 G11 K15 F16 F71 Y75 V326V9-A13 VanDerWaalsContact CG1-C 3.49Å; V9-A13 HydrophobicContact CG1-CB 3.32Å; G11-A13 PolarHBondContact O-N 3.39Å; A13-K15 PolarHBondContact O-N 3.24Å; A13-F16 HydrophobicContact CB-CD2 4.34Å; A13-F16 HydrophobicContact CB-CE2 4.1Å; A13-F16 HydrophobicContact CB-CZ 4.23Å; A13-F16 WeakPolarHBondContact O-CB 3.29Å; A13-F16 WeakPolarHBondContact O-CG 3.43Å; A13-F16 PolarHBondContact O-N 3.23Å; A13-F71 HydrophobicContact CB-CE2 4.07Å; A13-F71 HydrophobicContact CB-CZ 4.19Å; A13-Y75 HydrophobicContact CB-CE2 4.49Å; A13-V326 HydrophobicContact CB-CB 4.35Å
14A76.6Confident73.1Confident66 Ų6671.4 Ų71.455%0.54541%0.406SS..G310 helixtrans-66.1-20.1173.900000113V9 G11 E12 F16V9-A14 VanDerWaalsContact O-CB 3.25Å; V9-A14 WeakPolarHBondContact O-CB 3.47Å; G11-A14 WeakPolarHBondContact O-CB 3.44Å; G11-A14 PolarHBondContact O-N 3.25Å; E12-A14 PolarHBondContact O-N 3.13Å; A14-F16 VanDerWaalsContact C-N 3.34Å
15K82.7Confident76Confident131 Ų13164.7 Ų64.757%0.5737%0.371SS*.G310 helixtrans-92.12-178.6-55.2176.7-170.7163.70112.6E12 A13E12-K15 WeakPolarHBondContact O-CB 3.5Å; E12-K15 PolarHBondContact O-N 2.86Å; E12-K15 IonicContact OE1-NZ 3.42Å; E12-K15 PolarHBondContact OE1-NZ 2.9Å; E12-K15 WeakPolarHBondContact OE2-CD 3.37Å; E12-K15 IonicContact OE2-NZ 3.13Å; E12-K15 PolarHBondContact OE2-NZ 3.35Å; A13-K15 PolarHBondContact O-N 3.24Å
16F90.3Very high78.5Confident18 Ų1866.3 Ų66.38%0.07937%0.371CS..PPolyproline II helixtrans-68.6144.4-179.4-71.12.4000110.6A13 A14 F71 Y75 H238 L240 W267A13-F16 HydrophobicContact CB-CD2 4.34Å; A13-F16 HydrophobicContact CB-CE2 4.1Å; A13-F16 HydrophobicContact CB-CZ 4.23Å; A13-F16 WeakPolarHBondContact O-CB 3.29Å; A13-F16 WeakPolarHBondContact O-CG 3.43Å; A13-F16 PolarHBondContact O-N 3.23Å; A14-F16 VanDerWaalsContact C-N 3.34Å; F16-F71 HydrophobicContact CE2-CE1 4.42Å; F16-F71 HydrophobicContact CE2-CE2 4.19Å; F16-F71 AromaticContact CE2-CZ 3.51Å; F16-F71 HydrophobicContact CE2-CZ 3.51Å; F16-F71 HydrophobicContact CZ-CE1 4.4Å; F16-F71 AromaticContact CZ-CZ 3.71Å; F16-F71 HydrophobicContact CZ-CZ 3.71Å; F16-Y75 WeakPolarHBondContact CB-OH 3.46Å; F16-Y75 HydrophobicContact CD2-CD2 4.47Å; F16-Y75 HydrophobicContact CD2-CE1 4.38Å; F16-Y75 AromaticContact CD2-CE2 3.78Å; F16-Y75 HydrophobicContact CD2-CE2 3.78Å; F16-Y75 AromaticContact CD2-CZ 3.72Å; F16-Y75 HydrophobicContact CE2-CE2 4.45Å; F16-H238 AromaticContact CD2-CD2 3.77Å; F16-L240 HydrophobicContact CD2-CD2 4.33Å; F16-L240 HydrophobicContact CE2-CD2 3.52Å; F16-L240 HydrophobicContact CZ-CD2 4.14Å; F16-W267 AromaticContact CD1-CD2 3.49Å; F16-W267 HydrophobicContact CD1-CD2 3.49Å; F16-W267 VanDerWaalsContact CD1-CD2 3.49Å; F16-W267 AromaticContact CD1-CE2 3.52Å; F16-W267 AromaticContact CD1-CE3 3.82Å; F16-W267 HydrophobicContact CD1-CE3 3.82Å; F16-W267 AromaticContact CD1-CG 3.93Å; F16-W267 HydrophobicContact CD1-CG 3.93Å; F16-W267 HydrophobicContact CD1-CH2 4.16Å; F16-W267 AromaticContact CD1-CZ2 3.88Å; F16-W267 HydrophobicContact CD1-CZ2 3.88Å; F16-W267 HydrophobicContact CD1-CZ3 4.13Å; F16-W267 AromaticContact CD1-NE1 3.94Å; F16-W267 HydrophobicContact CD2-CG 4.45Å; F16-W267 HydrophobicContact CE1-CB 4.04Å; F16-W267 AromaticContact CE1-CD2 3.35Å; F16-W267 HydrophobicContact CE1-CD2 3.35Å; F16-W267 AromaticContact CE1-CE2 3.93Å; F16-W267 AromaticContact CE1-CE3 3.42Å; F16-W267 HydrophobicContact CE1-CE3 3.42Å; F16-W267 VanDerWaalsContact CE1-CE3 3.42Å; F16-W267 AromaticContact CE1-CG 3.64Å; F16-W267 HydrophobicContact CE1-CG 3.64Å; F16-W267 HydrophobicContact CE1-CZ2 4.48Å; F16-W267 HydrophobicContact CE1-CZ3 4.02Å; F16-W267 HydrophobicContact CE2-CB 4.24Å; F16-W267 HydrophobicContact CE2-CG 4.19Å; F16-W267 HydrophobicContact CG-CD2 4.26Å; F16-W267 HydrophobicContact CG-CG 4.33Å; F16-W267 HydrophobicContact CZ-CB 3.74Å; F16-W267 AromaticContact CZ-CD2 4Å; F16-W267 HydrophobicContact CZ-CD2 4Å; F16-W267 HydrophobicContact CZ-CE3 4.27Å; F16-W267 AromaticContact CZ-CG 3.77Å; F16-W267 HydrophobicContact CZ-CG 3.77Å
17H92.5Very high80.9Confident11 Ų1161.8 Ų61.85%0.05136%0.36CS..PPolyproline II helixtrans-58.6154.7174.170.7-49.9000112.1N22 T237 H238 V265 W267H17-N22 VanDerWaalsContact CD2-CA 3.49Å; H17-N22 WeakPolarHBondContact CD2-CA 3.32Å; H17-N22 PolarHBondContact CD2-OD1 2.87Å; H17-T237 PolarHBondContact CE1-O 3.34Å; H17-T237 PolarHBondContact NE2-O 2.88Å; H17-H238 AromaticContact CE1-CD2 3.56Å; H17-H238 AromaticContact CE1-CE1 3.75Å; H17-H238 AromaticContact CE1-CG 3.89Å; H17-H238 AromaticContact CE1-NE2 3.49Å; H17-H238 PolarHBondContact CE1-NE2 3.43Å; H17-H238 AromaticContact ND1-CD2 3.8Å; H17-H238 AromaticContact ND1-NE2 3.54Å; H17-H238 PolarHBondContact O-CE1 3.44Å; H17-H238 PolarHBondContact O-NE2 2.96Å; H17-V265 VanDerWaalsContact CE1-CB 3.5Å; H17-V265 WeakPolarHBondContact CE1-CB 3.48Å; H17-V265 WeakPolarHBondContact NE2-CG2 2.94Å; H17-W267 AromaticContact ND1-NE1 3.54Å
18K93.8Very high83.1Confident139 Ų13959.6 Ų59.660%0.60434%0.341SS*.PPolyproline II helixtrans-80.4153.4165.1-64.9177.5-178.91760110.1G20 E21K18-G20 PolarHBondContact O-N 3.41Å; K18-E21 HydrophobicContact CB-CB 4.46Å; K18-E21 HydrophobicContact CB-CG 4.28Å; K18-E21 WeakPolarHBondContact O-CB 3.41Å; K18-E21 PolarHBondContact O-N 3.2Å
19P94.6Very high84.9Confident23 Ų2356.6 Ų56.615%0.14933%0.328CS..THydrogen-bonded Turntrans-49.9130.4169.9-28.537.5000111.5E21 M42 G47 V49 T237P19-E21 VanDerWaalsContact C-N 3.3Å; P19-E21 PolarHBondContact O-N 3.11Å; P19-M42 HydrophobicContact CB-CE 4.47Å; P19-M42 HydrophobicContact CB-SD 3.93Å; P19-G47 WeakPolarHBondContact CB-O 3.31Å; P19-G47 WeakPolarHBondContact CG-O 3.2Å; P19-V49 HydrophobicContact CG-CG2 3.91Å; P19-T237 HydrophobicContact CB-CG2 4.21Å; P19-T237 HydrophobicContact CG-CG2 4.28Å
20G93.9Very high86.6Confident15 Ų1559 Ų5916%0.15534%0.342CS..THydrogen-bonded Turntrans86.3-8.8-176.800000114.9K18 N22 Y23 M42K18-G20 PolarHBondContact O-N 3.41Å; G20-N22 PolarHBondContact N-OD1 3.34Å; G20-Y23 WeakPolarHBondContact O-CE1 3.46Å; G20-M42 VanDerWaalsContact CA-SD 3.59Å; G20-M42 PolarHBondContact N-SD 3.4Å; G20-M42 VanDerWaalsContact N-SD 3.45Å
21E95.3Very high88.3Confident73 Ų7355.1 Ų55.134%0.34132%0.319SS..  trans-106.325.8177.1-62.2-177.2-172.900112.3K18 P19 Y23 N24K18-E21 HydrophobicContact CB-CB 4.46Å; K18-E21 HydrophobicContact CB-CG 4.28Å; K18-E21 WeakPolarHBondContact O-CB 3.41Å; K18-E21 PolarHBondContact O-N 3.2Å; P19-E21 VanDerWaalsContact C-N 3.3Å; P19-E21 PolarHBondContact O-N 3.11Å; E21-Y23 PolarHBondContact O-N 3.01Å; E21-N24 WeakPolarHBondContact O-CB 3.43Å; E21-N24 PolarHBondContact O-N 2.73Å
22N94.9Very high89.6Confident0 Ų062.5 Ų62.50%034%0.339CS..G310 helixtrans-52.5-36.4-174.9-59.936.2000112.7H17 G20 N24 S25 Y28 L38 Y262 C263 V265H17-N22 VanDerWaalsContact CD2-CA 3.49Å; H17-N22 WeakPolarHBondContact CD2-CA 3.32Å; H17-N22 PolarHBondContact CD2-OD1 2.87Å; G20-N22 PolarHBondContact N-OD1 3.34Å; N22-N24 PolarHBondContact O-N 3.18Å; N22-S25 WeakPolarHBondContact O-CB 3.45Å; N22-S25 PolarHBondContact O-N 3.22Å; N22-S25 PolarHBondContact O-OG 3.09Å; N22-Y28 HydrophobicContact CB-CD2 4.35Å; N22-Y28 HydrophobicContact CB-CE1 4.21Å; N22-Y28 HydrophobicContact CB-CE2 3.78Å; N22-L38 HydrophobicContact CB-CD2 3.94Å; N22-Y262 PolarHBondContact ND2-OH 3.47Å; N22-C263 PolarHBondContact ND2-O 3.1Å; N22-V265 HydrophobicContact CB-CG2 3.52Å
23Y93.1Very high90.6Very high88 Ų8860.6 Ų60.635%0.34533%0.331SS..G310 helixtrans-65.1-15.2-179.757.7-93.6000114.9G20 E21 M35 L38G20-Y23 WeakPolarHBondContact O-CE1 3.46Å; E21-Y23 PolarHBondContact O-N 3.01Å; Y23-M35 HydrophobicContact CD1-CE 3.71Å; Y23-M35 HydrophobicContact CD1-SD 4.08Å; Y23-M35 HydrophobicContact CD2-CE 4.21Å; Y23-M35 HydrophobicContact CE1-CE 3.92Å; Y23-M35 HydrophobicContact CE1-SD 4.02Å; Y23-M35 HydrophobicContact CE2-CE 4.38Å; Y23-M35 HydrophobicContact CG-CE 3.88Å; Y23-L38 HydrophobicContact CD1-CD1 3.63Å; Y23-L38 HydrophobicContact CE1-CD1 4.14Å
24N91.7Very high91.6Very high101 Ų10160.5 Ų60.554%0.5433%0.33SS..G310 helixtrans-78.6-9.4172.1-67.6-26.3000112.2E21 N22E21-N24 WeakPolarHBondContact O-CB 3.43Å; E21-N24 PolarHBondContact O-N 2.73Å; N22-N24 PolarHBondContact O-N 3.18Å
25S91.8Very high92.5Very high8 Ų862.3 Ų62.36%0.05633%0.328CS..SBendtrans-77.1137.4-176.3-540000111.8N22 G27 Y28 V265N22-S25 WeakPolarHBondContact O-CB 3.45Å; N22-S25 PolarHBondContact O-N 3.22Å; N22-S25 PolarHBondContact O-OG 3.09Å; S25-G27 PolarHBondContact O-N 3.07Å; S25-Y28 VanDerWaalsContact O-CB 3.25Å; S25-Y28 WeakPolarHBondContact O-CB 3.39Å; S25-Y28 PolarHBondContact O-N 3.18Å; S25-Y28 VanDerWaalsContact O-N 3.08Å; S25-V265 WeakPolarHBondContact OG-CG1 3.41Å
26P87.6Confident93.2Very high88 Ų8860.8 Ų60.857%0.57132%0.319SS*.THydrogen-bonded Turntrans-57.4124.9-180-26.634.9000113.5Y28P26-Y28 VanDerWaalsContact C-N 3.27Å; P26-Y28 PolarHBondContact O-N 3.44Å
27G87.3Confident93.6Very high56 Ų5660.7 Ų60.758%0.57732%0.319SS*.THydrogen-bonded Turntrans78.55.2179.100000114.8S25 Y253S25-G27 PolarHBondContact O-N 3.07Å; G27-Y253 WeakPolarHBondContact O-CD2 3.42Å; G27-Y253 WeakPolarHBondContact O-CE2 3.43Å
28Y92.4Very high93.8Very high22 Ų2260.5 Ų60.59%0.08632%0.318CS..  trans-66.1132.4172.3-165.1-92.9000110.4N22 S25 P26 V30 T34 Y253 C263 V265N22-Y28 HydrophobicContact CB-CD2 4.35Å; N22-Y28 HydrophobicContact CB-CE1 4.21Å; N22-Y28 HydrophobicContact CB-CE2 3.78Å; S25-Y28 VanDerWaalsContact O-CB 3.25Å; S25-Y28 WeakPolarHBondContact O-CB 3.39Å; S25-Y28 PolarHBondContact O-N 3.18Å; S25-Y28 VanDerWaalsContact O-N 3.08Å; P26-Y28 VanDerWaalsContact C-N 3.27Å; P26-Y28 PolarHBondContact O-N 3.44Å; Y28-V30 HydrophobicContact CD1-CG2 4.3Å; Y28-T34 HydrophobicContact CE1-CG2 3.95Å; Y28-Y253 HydrophobicContact CD2-CE1 4.21Å; Y28-Y253 HydrophobicContact CE2-CE1 4.49Å; Y28-C263 HydrophobicContact CE2-CB 4.32Å; Y28-C263 VanDerWaalsContact CE2-O 3.32Å; Y28-C263 WeakPolarHBondContact CE2-O 3.28Å; Y28-C263 WeakPolarHBondContact OH-CB 3.32Å; Y28-C263 PolarHBondContact OH-O 3.19Å; Y28-V265 HydrophobicContact CD2-CG2 3.97Å; Y28-V265 HydrophobicContact CE2-CG2 3.98Å
29V90.3Very high93.9Very high76 Ų7661.8 Ų61.846%0.46132%0.324SS..  trans-95.5111.2-176.8178.90000109.2N257V29-N257 PolarHBondContact O-ND2 3.07Å
30V93.4Very high94Very high83 Ų8364.8 Ų64.850%0.50334%0.336SS..  trans-85122.9176.7-176.20000109.7Y28 T34Y28-V30 HydrophobicContact CD1-CG2 4.3Å; V30-T34 HydrophobicContact CG1-CG2 4.27Å
31T94.7Very high94.1Very high41 Ų4164.1 Ų64.125%0.25233%0.329SS..  trans-106.3172.4172.875.80000110.3D33 T34 N257T31-D33 PolarHBondContact O-N 3.06Å; T31-D33 VanDerWaalsContact O-N 3.13Å; T31-D33 PolarHBondContact OG1-N 3.31Å; T31-T34 PolarHBondContact N-OG1 2.98Å; T31-T34 WeakPolarHBondContact O-CB 3.41Å; T31-T34 PolarHBondContact O-N 3.48Å; T31-T34 PolarHBondContact O-OG1 2.98Å; T31-T34 PolarHBondContact OG1-N 3.08Å; T31-T34 PolarHBondContact OG1-OG1 3.43Å; T31-N257 HydrophobicContact CG2-CB 3.88Å; T31-N257 WeakPolarHBondContact CG2-OD1 3.49Å
32K95.3Very high94.2Very high199 Ų19963.8 Ų63.887%0.86533%0.328SS*.THydrogen-bonded Turntrans-58.8-23.4175.966.6-179-177.6177.70113.9
33D95.5Very high94.2Very high30 Ų3072.1 Ų72.116%0.1636%0.364CS..THydrogen-bonded Turntrans-101.3-10.2-175.5-81.3-68.6000113T31 M35 R36 L37 N260T31-D33 PolarHBondContact O-N 3.06Å; T31-D33 VanDerWaalsContact O-N 3.13Å; T31-D33 PolarHBondContact OG1-N 3.31Å; D33-M35 VanDerWaalsContact C-N 3.33Å; D33-M35 PolarHBondContact O-N 3.09Å; D33-R36 WeakPolarHBondContact O-CB 3.24Å; D33-R36 PolarHBondContact O-N 3.36Å; D33-R36 VanDerWaalsContact O-N 3.08Å; D33-R36 IonicContact OD1-CZ 2.94Å; D33-R36 IonicContact OD1-NE 3.98Å; D33-R36 PolarHBondContact OD1-NE 3.46Å; D33-R36 VanDerWaalsContact OD1-NE 3.13Å; D33-R36 IonicContact OD1-NH2 2.92Å; D33-R36 PolarHBondContact OD1-NH2 2.93Å; D33-L37 HydrophobicContact CB-CD1 4.1Å; D33-L37 WeakPolarHBondContact O-CG 3.39Å; D33-L37 PolarHBondContact O-N 3.37Å; D33-N260 WeakPolarHBondContact CB-OD1 3.43Å; D33-N260 VanDerWaalsContact CG-ND2 3.28Å; D33-N260 VanDerWaalsContact CG-OD1 3.26Å; D33-N260 PolarHBondContact OD2-ND2 3.48Å; D33-N260 PolarHBondContact OD2-OD1 2.69Å
34T95.9Very high94.3Very high3 Ų374 Ų742%0.01838%0.376CS..Hα-helixtrans-52.5-47.2-175.2-66.60000112.5Y28 V30 T31 R36 L37 L38Y28-T34 HydrophobicContact CE1-CG2 3.95Å; V30-T34 HydrophobicContact CG1-CG2 4.27Å; T31-T34 PolarHBondContact N-OG1 2.98Å; T31-T34 WeakPolarHBondContact O-CB 3.41Å; T31-T34 PolarHBondContact O-N 3.48Å; T31-T34 PolarHBondContact O-OG1 2.98Å; T31-T34 PolarHBondContact OG1-N 3.08Å; T31-T34 PolarHBondContact OG1-OG1 3.43Å; T34-R36 VanDerWaalsContact C-N 3.34Å; T34-R36 PolarHBondContact O-N 2.86Å; T34-L37 PolarHBondContact O-N 3.08Å; T34-L38 HydrophobicContact CG2-CD1 3.78Å; T34-L38 HydrophobicContact CG2-CG 4.36Å; T34-L38 WeakPolarHBondContact O-CB 3.38Å; T34-L38 VanDerWaalsContact O-CG 3.29Å; T34-L38 WeakPolarHBondContact O-CG 3.1Å; T34-L38 PolarHBondContact O-N 3.42Å
35M96.6Very high94.4Very high103 Ų10369.8 Ų69.851%0.50735%0.354SS..Hα-helixtrans-67.4-34.9-177.8-63.7-59.9173.300112.7Y23 D33 K39Y23-M35 HydrophobicContact CD1-CE 3.71Å; Y23-M35 HydrophobicContact CD1-SD 4.08Å; Y23-M35 HydrophobicContact CD2-CE 4.21Å; Y23-M35 HydrophobicContact CE1-CE 3.92Å; Y23-M35 HydrophobicContact CE1-SD 4.02Å; Y23-M35 HydrophobicContact CE2-CE 4.38Å; Y23-M35 HydrophobicContact CG-CE 3.88Å; D33-M35 VanDerWaalsContact C-N 3.33Å; D33-M35 PolarHBondContact O-N 3.09Å; M35-K39 WeakPolarHBondContact O-CB 3.44Å; M35-K39 PolarHBondContact O-N 2.99Å; M35-K39 VanDerWaalsContact O-N 3.11Å
36R97.3Very high94.6Very high100 Ų10076.3 Ų76.338%0.37739%0.388SS..Hα-helixtrans-66.6-48.6175.3-178.9-174.458.669.63.1110.4D33 T34 L38 K39 E40D33-R36 WeakPolarHBondContact O-CB 3.24Å; D33-R36 PolarHBondContact O-N 3.36Å; D33-R36 VanDerWaalsContact O-N 3.08Å; D33-R36 IonicContact OD1-CZ 2.94Å; D33-R36 IonicContact OD1-NE 3.98Å; D33-R36 PolarHBondContact OD1-NE 3.46Å; D33-R36 VanDerWaalsContact OD1-NE 3.13Å; D33-R36 IonicContact OD1-NH2 2.92Å; D33-R36 PolarHBondContact OD1-NH2 2.93Å; T34-R36 VanDerWaalsContact C-N 3.34Å; T34-R36 PolarHBondContact O-N 2.86Å; R36-L38 PolarHBondContact O-N 3.31Å; R36-K39 WeakPolarHBondContact O-CB 3.41Å; R36-K39 PolarHBondContact O-N 3.27Å; R36-E40 WeakPolarHBondContact CG-OE1 3.44Å; R36-E40 IonicContact CZ-OE1 2.93Å; R36-E40 VanDerWaalsContact NH1-CD 3.29Å; R36-E40 IonicContact NH1-OE1 3.13Å; R36-E40 PolarHBondContact NH1-OE1 3.03Å; R36-E40 IonicContact NH1-OE2 3.5Å; R36-E40 PolarHBondContact NH1-OE2 3.07Å; R36-E40 VanDerWaalsContact NH1-OE2 3.13Å; R36-E40 PolarHBondContact O-N 3.39Å
37L97.4Very high94.9Very high15 Ų1573.1 Ų73.18%0.07937%0.372CS..Hα-helixtrans-62.9-39.7179.5-69.1166.3000112.2D33 T34 E40 H41 I261D33-L37 HydrophobicContact CB-CD1 4.1Å; D33-L37 WeakPolarHBondContact O-CG 3.39Å; D33-L37 PolarHBondContact O-N 3.37Å; T34-L37 PolarHBondContact O-N 3.08Å; L37-E40 PolarHBondContact O-N 2.69Å; L37-H41 WeakPolarHBondContact O-CB 3.49Å; L37-H41 PolarHBondContact O-N 2.82Å; L37-I261 WeakPolarHBondContact CD1-O 3.42Å
38L96.8Very high95.4Very high7 Ų773.4 Ų73.44%0.03736%0.36CS..Hα-helixtrans-65.3-38.7174.8-71.7171.5000111.9N22 Y23 T34 R36 H41 M42 Y262N22-L38 HydrophobicContact CB-CD2 3.94Å; Y23-L38 HydrophobicContact CD1-CD1 3.63Å; Y23-L38 HydrophobicContact CE1-CD1 4.14Å; T34-L38 HydrophobicContact CG2-CD1 3.78Å; T34-L38 HydrophobicContact CG2-CG 4.36Å; T34-L38 WeakPolarHBondContact O-CB 3.38Å; T34-L38 VanDerWaalsContact O-CG 3.29Å; T34-L38 WeakPolarHBondContact O-CG 3.1Å; T34-L38 PolarHBondContact O-N 3.42Å; R36-L38 PolarHBondContact O-N 3.31Å; L38-H41 PolarHBondContact O-N 2.94Å; L38-M42 WeakPolarHBondContact O-CB 3.48Å; L38-M42 WeakPolarHBondContact O-CG 3.44Å; L38-M42 PolarHBondContact O-N 3.21Å; L38-Y262 HydrophobicContact CD2-CD2 4.33Å; L38-Y262 HydrophobicContact CD2-CE2 3.91Å
39K96.3Very high95.6Very high167 Ų16772.8 Ų72.873%0.72636%0.358SS*.Hα-helixtrans-64.4-40.5174.9-173.1179.5-179.6179.30112.2M35 R36 K43M35-K39 WeakPolarHBondContact O-CB 3.44Å; M35-K39 PolarHBondContact O-N 2.99Å; M35-K39 VanDerWaalsContact O-N 3.11Å; R36-K39 WeakPolarHBondContact O-CB 3.41Å; R36-K39 PolarHBondContact O-N 3.27Å; K39-K43 PolarHBondContact O-N 3.5Å
40E96.6Very high96Very high85 Ų8569.3 Ų69.340%0.39734%0.337SS..Hα-helixtrans-64.3-47.1174.7-73166-165.900111.2R36 L37 K43 Q44R36-E40 WeakPolarHBondContact CG-OE1 3.44Å; R36-E40 IonicContact CZ-OE1 2.93Å; R36-E40 VanDerWaalsContact NH1-CD 3.29Å; R36-E40 IonicContact NH1-OE1 3.13Å; R36-E40 PolarHBondContact NH1-OE1 3.03Å; R36-E40 IonicContact NH1-OE2 3.5Å; R36-E40 PolarHBondContact NH1-OE2 3.07Å; R36-E40 VanDerWaalsContact NH1-OE2 3.13Å; R36-E40 PolarHBondContact O-N 3.39Å; L37-E40 PolarHBondContact O-N 2.69Å; E40-K43 WeakPolarHBondContact O-CB 3.33Å; E40-K43 PolarHBondContact O-N 3.44Å; E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.23Å; E40-Q44 VanDerWaalsContact O-N 3.07Å
41H96.2Very high96.2Very high2 Ų265.4 Ų65.41%0.00931%0.313CS..Hα-helixtrans-56.8-50.6175.7172.375.3000111.9L37 L38 K43 Q44 T45 N235 Y262L37-H41 WeakPolarHBondContact O-CB 3.49Å; L37-H41 PolarHBondContact O-N 2.82Å; L38-H41 PolarHBondContact O-N 2.94Å; H41-K43 PolarHBondContact O-N 3.27Å; H41-Q44 WeakPolarHBondContact O-CA 3.43Å; H41-Q44 WeakPolarHBondContact O-CB 3.5Å; H41-Q44 PolarHBondContact O-N 3.42Å; H41-T45 VanDerWaalsContact CE1-CG2 3.43Å; H41-T45 WeakPolarHBondContact CE1-CG2 3.45Å; H41-T45 PolarHBondContact O-N 3.07Å; H41-T45 PolarHBondContact O-OG1 3.23Å; H41-T45 VanDerWaalsContact O-OG1 3.06Å; H41-N235 PolarHBondContact CE1-O 3.36Å; H41-N235 PolarHBondContact ND1-OD1 2.89Å; H41-Y262 HydrophobicContact CB-CD2 3.78Å; H41-Y262 HydrophobicContact CB-CE2 4Å; H41-Y262 HydrophobicContact CB-CG 4.2Å; H41-Y262 AromaticContact CD2-CE2 3.8Å; H41-Y262 AromaticContact CD2-CZ 3.87Å; H41-Y262 AromaticContact CE1-CE1 3.48Å; H41-Y262 VanDerWaalsContact CE1-CE1 3.48Å; H41-Y262 WeakPolarHBondContact CE1-CE1 3.39Å; H41-Y262 AromaticContact CE1-CZ 3.41Å; H41-Y262 VanDerWaalsContact CE1-CZ 3.41Å; H41-Y262 AromaticContact CG-CD2 3.8Å; H41-Y262 AromaticContact CG-CE2 3.56Å; H41-Y262 AromaticContact CG-CZ 3.72Å; H41-Y262 AromaticContact ND1-CD1 3.66Å; H41-Y262 AromaticContact ND1-CE1 3.37Å; H41-Y262 WeakPolarHBondContact ND1-CE1 3.36Å; H41-Y262 AromaticContact ND1-CE2 3.75Å; H41-Y262 AromaticContact ND1-CG 3.99Å; H41-Y262 AromaticContact ND1-CZ 3.45Å; H41-Y262 AromaticContact NE2-CZ 3.69Å
42M96.7Very high96.3Very high65 Ų6563.5 Ų63.532%0.3230%0.301SS..Hα-helixtrans-59.8-32.2178.4-71.7-61-69.900112.8P19 G20 L38 D46 G47P19-M42 HydrophobicContact CB-CE 4.47Å; P19-M42 HydrophobicContact CB-SD 3.93Å; G20-M42 VanDerWaalsContact CA-SD 3.59Å; G20-M42 PolarHBondContact N-SD 3.4Å; G20-M42 VanDerWaalsContact N-SD 3.45Å; L38-M42 WeakPolarHBondContact O-CB 3.48Å; L38-M42 WeakPolarHBondContact O-CG 3.44Å; L38-M42 PolarHBondContact O-N 3.21Å; M42-D46 WeakPolarHBondContact O-CA 3.5Å; M42-D46 PolarHBondContact O-N 3.46Å; M42-D46 VanDerWaalsContact O-N 3.09Å; M42-G47 PolarHBondContact O-N 3.45Å
43K96Very high96.5Very high175 Ų17554.3 Ų54.376%0.76126%0.261SS*.Hα-helixtrans-72.2-30174.2-173.6-177.4176.4-172.60112.3K39 E40 H41K39-K43 PolarHBondContact O-N 3.5Å; E40-K43 WeakPolarHBondContact O-CB 3.33Å; E40-K43 PolarHBondContact O-N 3.44Å; H41-K43 PolarHBondContact O-N 3.27Å
44Q94.2Very high96.5Very high128 Ų12854.1 Ų54.160%0.59826%0.262SS*.Hα-helixtrans-82.6-30.6179.9-70.9177.1500112.8E40 H41 N235E40-Q44 WeakPolarHBondContact O-CG 3.45Å; E40-Q44 PolarHBondContact O-N 3.23Å; E40-Q44 VanDerWaalsContact O-N 3.07Å; H41-Q44 WeakPolarHBondContact O-CA 3.43Å; H41-Q44 WeakPolarHBondContact O-CB 3.5Å; H41-Q44 PolarHBondContact O-N 3.42Å; Q44-N235 PolarHBondContact OE1-ND2 3.04Å; Q44-N235 PolarHBondContact OE1-OD1 3.21Å
45T94.6Very high96.4Very high12 Ų1254.3 Ų54.37%0.07426%0.263CS..Hα-helixtrans-103.1-4.2-176.259.70000113.9H41 G47 I48 V50 N235H41-T45 VanDerWaalsContact CE1-CG2 3.43Å; H41-T45 WeakPolarHBondContact CE1-CG2 3.45Å; H41-T45 PolarHBondContact O-N 3.07Å; H41-T45 PolarHBondContact O-OG1 3.23Å; H41-T45 VanDerWaalsContact O-OG1 3.06Å; T45-G47 PolarHBondContact O-N 2.91Å; T45-G47 PolarHBondContact OG1-N 3.23Å; T45-I48 WeakPolarHBondContact O-CG1 3.43Å; T45-I48 PolarHBondContact O-N 3.38Å; T45-I48 VanDerWaalsContact O-N 3.1Å; T45-V50 HydrophobicContact CG2-CG2 4.38Å; T45-N235 HydrophobicContact CG2-CB 3.56Å
46D95Very high96.1Very high145 Ų14553.8 Ų53.878%0.77526%0.259SS*.THydrogen-bonded Turntrans52.123.9-169.5-61-50.4000113M42 I48M42-D46 WeakPolarHBondContact O-CA 3.5Å; M42-D46 PolarHBondContact O-N 3.46Å; M42-D46 VanDerWaalsContact O-N 3.09Å; D46-I48 VanDerWaalsContact C-N 3.28Å; D46-I48 PolarHBondContact O-N 3.17Å
47G94.6Very high95.8Very high22 Ų2249.1 Ų49.123%0.22724%0.242CC..THydrogen-bonded Turntrans71.413-179.600000115.7P19 M42 T45P19-G47 WeakPolarHBondContact CB-O 3.31Å; P19-G47 WeakPolarHBondContact CG-O 3.2Å; M42-G47 PolarHBondContact O-N 3.45Å; T45-G47 PolarHBondContact O-N 2.91Å; T45-G47 PolarHBondContact OG1-N 3.23Å
48I96.9Very high95.2Very high62 Ų6250.2 Ų50.232%0.31825%0.248SC..  trans-71.7155.517676.1-174.5000111.2T45 D46 V50 I82T45-I48 WeakPolarHBondContact O-CG1 3.43Å; T45-I48 PolarHBondContact O-N 3.38Å; T45-I48 VanDerWaalsContact O-N 3.1Å; D46-I48 VanDerWaalsContact C-N 3.28Å; D46-I48 PolarHBondContact O-N 3.17Å; I48-V50 HydrophobicContact CG1-CG2 4Å; I48-V50 PolarHBondContact O-N 2.96Å; I48-I82 HydrophobicContact CD1-CD1 4.05Å; I48-I82 HydrophobicContact CD1-CG1 3.99Å; I48-I82 HydrophobicContact CD1-CG2 4.42Å
49V97.4Very high94.7Very high8 Ų850.4 Ų50.45%0.04825%0.252CS..  trans-71.6127170.3170.80000109.6P19 T51 Y75 A76 H79 G81 I82P19-V49 HydrophobicContact CG-CG2 3.91Å; V49-T51 HydrophobicContact CG1-CG2 4.03Å; V49-Y75 HydrophobicContact CG1-CD1 3.85Å; V49-Y75 HydrophobicContact CG1-CE1 3.77Å; V49-Y75 HydrophobicContact CG2-CE1 4.5Å; V49-A76 HydrophobicContact CG1-CB 4.34Å; V49-H79 HydrophobicContact CB-CB 3.99Å; V49-H79 HydrophobicContact CG2-CB 3.57Å; V49-G81 CarbonylContact O-C 3.57Å; V49-G81 WeakPolarHBondContact O-CA 3.36Å; V49-I82 PolarHBondContact O-N 3.01Å
50V98.1Very high94.4Very high4 Ų444.1 Ų44.12%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-119.1124.6172.5-172.30000108.8T45 I48 I82 Y84 N235 I236 T237 H238T45-V50 HydrophobicContact CG2-CG2 4.38Å; I48-V50 HydrophobicContact CG1-CG2 4Å; I48-V50 PolarHBondContact O-N 2.96Å; V50-I82 WeakPolarHBondContact CA-O 3.3Å; V50-I82 HydrophobicContact CB-CG1 4.4Å; V50-I82 HydrophobicContact CG1-CD1 4.41Å; V50-I82 HydrophobicContact CG1-CG1 4.16Å; V50-I82 HydrophobicContact CG2-CD1 4.26Å; V50-I82 HydrophobicContact CG2-CG1 4Å; V50-Y84 HydrophobicContact CG1-CD2 3.94Å; V50-Y84 HydrophobicContact CG1-CE2 3.7Å; V50-N235 WeakPolarHBondContact CB-O 3.25Å; V50-I236 HydrophobicContact CG1-CD1 3.79Å; V50-I236 WeakPolarHBondContact O-CG2 3.16Å; V50-T237 HydrophobicContact CB-CG2 4.2Å; V50-T237 HydrophobicContact CG2-CG2 4.32Å; V50-T237 PolarHBondContact N-OG1 2.8Å; V50-T237 PolarHBondContact O-N 3.2Å; V50-T237 PolarHBondContact O-OG1 3.29Å; V50-H238 PolarHBondContact O-N 3.1Å
51T98.1Very high94.3Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-125.5-179.4173.965.50000110.5V49 N72 Y75 A76 I82 T83 Y84 H238 L240V49-T51 HydrophobicContact CG1-CG2 4.03Å; T51-N72 PolarHBondContact OG1-O 3.43Å; T51-Y75 HydrophobicContact CG2-CD1 4.08Å; T51-A76 HydrophobicContact CG2-CB 4.09Å; T51-A76 WeakPolarHBondContact OG1-CB 3.44Å; T51-I82 PolarHBondContact N-O 3.43Å; T51-T83 WeakPolarHBondContact O-CA 3.38Å; T51-T83 WeakPolarHBondContact OG1-CB 3.46Å; T51-T83 WeakPolarHBondContact OG1-CG2 3.42Å; T51-T83 PolarHBondContact OG1-OG1 2.88Å; T51-Y84 PolarHBondContact O-N 3.36Å; T51-H238 HydrophobicContact CG2-CB 4.14Å; T51-L240 HydrophobicContact CG2-CD1 4.35Å
52R97.9Very high94.2Very high1 Ų140.8 Ų40.80%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-153.6150.5173.470.6-166.1179.7-87-11.6111.7P54 N72 Y84 R86 H227 D231 I236 S239R52-P54 HydrophobicContact CG-CB 4.34Å; R52-P54 HydrophobicContact CG-CG 4.21Å; R52-P54 WeakPolarHBondContact O-CD 3.43Å; R52-N72 PolarHBondContact O-ND2 3.06Å; R52-N72 PolarHBondContact O-OD1 2.74Å; R52-Y84 CarbonylContact C-O 3.52Å; R52-Y84 WeakPolarHBondContact CA-O 3.15Å; R52-R86 VanDerWaalsContact NE-NH2 3.15Å; R52-H227 PolarHBondContact NH2-CD2 3.14Å; R52-H227 PolarHBondContact NH2-NE2 3.37Å; R52-D231 WeakPolarHBondContact CD-OD1 3.3Å; R52-D231 IonicContact CZ-OD1 2.99Å; R52-D231 IonicContact CZ-OD2 3.67Å; R52-D231 IonicContact NE-OD1 2.85Å; R52-D231 PolarHBondContact NE-OD1 3.27Å; R52-D231 IonicContact NE-OD2 3.62Å; R52-D231 IonicContact NH1-OD1 3.94Å; R52-D231 PolarHBondContact NH1-OD1 3.02Å; R52-D231 IonicContact NH1-OD2 2.76Å; R52-D231 PolarHBondContact NH1-OD2 2.87Å; R52-D231 VanDerWaalsContact NH2-CG 3.32Å; R52-D231 IonicContact NH2-OD1 2.84Å; R52-D231 PolarHBondContact NH2-OD1 3.1Å; R52-D231 IonicContact NH2-OD2 3.79Å; R52-D231 PolarHBondContact NH2-OD2 3.05Å; R52-I236 HydrophobicContact CB-CD1 4.04Å; R52-I236 HydrophobicContact CG-CD1 4.4Å; R52-S239 VanDerWaalsContact NH1-CB 3.32Å; R52-S239 PolarHBondContact NH1-OG 3.4Å; R52-S239 PolarHBondContact NH2-OG 3.12Å
53F97.8Very high94.1Very high6 Ų637.7 Ų37.73%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-101.3113.2159.1177.9-125.7000107.8P55 L61 H65 A68 I69 F73 Y84 L85 R86 V107F53-P55 HydrophobicContact CD1-CG 3.93Å; F53-P55 HydrophobicContact CE1-CB 3.83Å; F53-P55 HydrophobicContact CE1-CG 3.62Å; F53-P55 HydrophobicContact CZ-CB 3.85Å; F53-P55 HydrophobicContact CZ-CG 4.14Å; F53-P55 WeakPolarHBondContact O-CD 3.4Å; F53-L61 HydrophobicContact CE1-CD1 4.07Å; F53-L61 HydrophobicContact CE1-CD2 4.47Å; F53-L61 HydrophobicContact CZ-CD1 4.26Å; F53-L61 HydrophobicContact CZ-CD2 4.1Å; F53-H65 HydrophobicContact CZ-CB 4.19Å; F53-A68 HydrophobicContact CD2-CB 4.12Å; F53-A68 HydrophobicContact CE2-CB 3.89Å; F53-I69 HydrophobicContact CD1-CD1 4.2Å; F53-I69 HydrophobicContact CD1-CG1 3.61Å; F53-I69 HydrophobicContact CD2-CG1 3.95Å; F53-I69 HydrophobicContact CE1-CD1 3.75Å; F53-I69 HydrophobicContact CE1-CG1 3.57Å; F53-I69 HydrophobicContact CE2-CG1 3.91Å; F53-I69 HydrophobicContact CG-CG1 3.82Å; F53-I69 HydrophobicContact CZ-CD1 3.99Å; F53-I69 HydrophobicContact CZ-CG1 3.73Å; F53-F73 HydrophobicContact CB-CE2 3.84Å; F53-Y84 PolarHBondContact N-O 3.01Å; F53-L85 HydrophobicContact CD1-CD1 3.74Å; F53-L85 HydrophobicContact CE1-CD1 4.45Å; F53-R86 PolarHBondContact O-N 3.36Å; F53-V107 HydrophobicContact CD1-CG2 4Å; F53-V107 HydrophobicContact CE1-CG2 4.15Å
54P96Very high93.9Very high27 Ų2729.9 Ų29.918%0.17516%0.164CC..  trans-10870.1-174.537.6-29.1000113.2R52 R86R52-P54 HydrophobicContact CG-CB 4.34Å; R52-P54 HydrophobicContact CG-CG 4.21Å; R52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-R86 CarbonylContact C-O 3.58Å; P54-R86 WeakPolarHBondContact CA-O 3.4Å
55P94.2Very high93.9Very high7 Ų726.4 Ų26.45%0.04515%0.147CC..  trans-74.1146.5-179.230.8-34.6000112.2F53 L61 L85 R86 Y87 D88 I103F53-P55 HydrophobicContact CD1-CG 3.93Å; F53-P55 HydrophobicContact CE1-CB 3.83Å; F53-P55 HydrophobicContact CE1-CG 3.62Å; F53-P55 HydrophobicContact CZ-CB 3.85Å; F53-P55 HydrophobicContact CZ-CG 4.14Å; F53-P55 WeakPolarHBondContact O-CD 3.4Å; P55-L61 HydrophobicContact CB-CD2 4.4Å; P55-L85 HydrophobicContact CG-CD1 3.86Å; P55-R86 WeakPolarHBondContact CD-O 3.27Å; P55-Y87 HydrophobicContact CG-CD1 4.37Å; P55-Y87 HydrophobicContact CG-CE1 4.43Å; P55-D88 PolarHBondContact O-N 3.06Å; P55-D88 VanDerWaalsContact O-N 3.09Å; P55-I103 HydrophobicContact CB-CD1 4.14Å; P55-I103 HydrophobicContact CB-CG2 4.31Å; P55-I103 HydrophobicContact CG-CD1 4.31Å; P55-I103 HydrophobicContact CG-CG2 3.62Å
56E90.9Very high94Very high91 Ų9125.8 Ų25.843%0.42514%0.144SC..  trans-78.6127.7162.6-69.4-177.2-155.900109.1N58 D88E56-N58 PolarHBondContact O-N 2.94Å; E56-N58 PolarHBondContact OE2-ND2 3.39Å; E56-D88 HydrophobicContact CG-CB 4.45Å
57P89.7Confident93.9Very high2 Ų219.2 Ų19.21%0.01311%0.108CC..SBendtrans-82.554.1-178.133.1-33.4000112.1Y87 D89 E95 F99 F100 I103P57-Y87 HydrophobicContact CB-CD1 4.01Å; P57-Y87 HydrophobicContact CG-CD1 4.31Å; P57-D89 HydrophobicContact CG-CB 4.37Å; P57-E95 HydrophobicContact CG-CG 4.18Å; P57-F99 HydrophobicContact CB-CB 4.41Å; P57-F100 HydrophobicContact CB-CD1 3.92Å; P57-F100 HydrophobicContact CB-CD2 3.98Å; P57-F100 HydrophobicContact CB-CE1 3.68Å; P57-F100 HydrophobicContact CB-CE2 3.73Å; P57-F100 HydrophobicContact CB-CG 4.07Å; P57-F100 HydrophobicContact CB-CZ 3.56Å; P57-F100 HydrophobicContact CG-CD1 4.22Å; P57-F100 HydrophobicContact CG-CE1 3.48Å; P57-F100 VanDerWaalsContact CG-CE1 3.48Å; P57-F100 HydrophobicContact CG-CE2 3.9Å; P57-F100 HydrophobicContact CG-CZ 3.27Å; P57-I103 HydrophobicContact CB-CD1 4.2Å
58N86Confident93.9Very high39 Ų3918.6 Ų18.621%0.20910%0.101CC..SBendtrans-123.26.3-175.368.120000114.5E56 K94 K281E56-N58 PolarHBondContact O-N 2.94Å; E56-N58 PolarHBondContact OE2-ND2 3.39Å; N58-K94 WeakPolarHBondContact CA-O 3.49Å; N58-K94 HydrophobicContact CB-CB 3.99Å; N58-K94 VanDerWaalsContact CB-O 3.25Å; N58-K94 WeakPolarHBondContact CB-O 3.34Å; N58-K281 WeakPolarHBondContact O-CD 3.37Å; N58-K281 WeakPolarHBondContact O-CE 3.5Å; N58-K281 PolarHBondContact O-NZ 2.93Å
59G85.8Confident93.9Very high11 Ų1115.6 Ų15.611%0.1139%0.086CC..SBendtrans-178.6174.6-179.500000112.9
60I89Confident93.8Very high35 Ų3515.8 Ų15.818%0.1799%0.086CC..  trans-78.9138.6-176.6-55.2-62.4000110.6F99 W296 T303 T305I60-F99 HydrophobicContact CD1-CD1 3.88Å; I60-F99 HydrophobicContact CD1-CE1 3.73Å; I60-F99 HydrophobicContact CG1-CE1 4.14Å; I60-W296 HydrophobicContact CG1-CB 3.95Å; I60-W296 HydrophobicContact CG1-CD2 4.15Å; I60-W296 HydrophobicContact CG1-CE3 4.29Å; I60-W296 HydrophobicContact CG1-CG 3.98Å; I60-T303 HydrophobicContact CG2-CG2 4.31Å; I60-T305 HydrophobicContact CG2-CG2 3.99Å; I60-T305 WeakPolarHBondContact CG2-OG1 3Å
61L95.3Very high93.6Very high5 Ų516.4 Ų16.43%0.0269%0.089CC..  trans-64.5155.5174.8-60.5-172.2000111.4F53 P55 H65 I69 I103 M106 T303 L304F53-L61 HydrophobicContact CE1-CD1 4.07Å; F53-L61 HydrophobicContact CE1-CD2 4.47Å; F53-L61 HydrophobicContact CZ-CD1 4.26Å; F53-L61 HydrophobicContact CZ-CD2 4.1Å; P55-L61 HydrophobicContact CB-CD2 4.4Å; L61-H65 HydrophobicContact CB-CB 4.03Å; L61-H65 HydrophobicContact CD2-CB 4Å; L61-H65 HydrophobicContact CG-CB 4.41Å; L61-I69 HydrophobicContact CD1-CD1 3.98Å; L61-I103 HydrophobicContact CD1-CG1 4.33Å; L61-I103 HydrophobicContact CD1-CG2 4.31Å; L61-I103 HydrophobicContact CD2-CG1 4.06Å; L61-I103 HydrophobicContact CG-CG1 4Å; L61-M106 HydrophobicContact CD1-CB 3.98Å; L61-T303 CarbonylContact O-C 3.45Å; L61-T303 VanDerWaalsContact O-CA 3.32Å; L61-T303 WeakPolarHBondContact O-CA 3.44Å; L61-T303 WeakPolarHBondContact O-CB 3.32Å; L61-L304 HydrophobicContact CB-CB 4.44Å; L61-L304 HydrophobicContact CB-CD1 3.69Å; L61-L304 HydrophobicContact CB-CG 3.99Å; L61-L304 HydrophobicContact CD1-CD1 4.21Å; L61-L304 PolarHBondContact O-N 2.86Å
62H94.5Very high93.4Very high12 Ų1216.5 Ų16.56%0.0569%0.089CC..BIsolated β-bridgetrans-137.2175.5-17861.948.1000110.6G64 H65 A66 R271 V279 V302H62-G64 WeakPolarHBondContact ND1-CA 3.44Å; H62-G64 PolarHBondContact ND1-N 2.94Å; H62-G64 PolarHBondContact O-N 2.66Å; H62-H65 AromaticContact CD2-CE1 3.63Å; H62-H65 AromaticContact CD2-ND1 3.56Å; H62-H65 AromaticContact CE1-CE1 3.53Å; H62-H65 AromaticContact CE1-ND1 3.33Å; H62-H65 PolarHBondContact CE1-ND1 3.34Å; H62-H65 VanDerWaalsContact CE1-ND1 3.33Å; H62-H65 AromaticContact CG-ND1 3.47Å; H62-H65 PolarHBondContact N-ND1 3.34Å; H62-H65 VanDerWaalsContact N-ND1 3.19Å; H62-H65 AromaticContact ND1-CE1 3.95Å; H62-H65 PolarHBondContact ND1-N 2.97Å; H62-H65 AromaticContact ND1-ND1 3.32Å; H62-H65 PolarHBondContact ND1-ND1 2.85Å; H62-H65 AromaticContact NE2-CE1 3.34Å; H62-H65 PolarHBondContact NE2-CE1 3.05Å; H62-H65 VanDerWaalsContact NE2-CE1 3.34Å; H62-H65 AromaticContact NE2-ND1 3.52Å; H62-H65 WeakPolarHBondContact O-CA 3.19Å; H62-H65 VanDerWaalsContact O-CB 3.28Å; H62-H65 WeakPolarHBondContact O-CB 3.23Å; H62-H65 PolarHBondContact O-N 3.08Å; H62-A66 PolarHBondContact O-N 3.41Å; H62-R271 PolarHBondContact NE2-NH2 2.9Å; H62-V279 HydrophobicContact CB-CB 4.37Å; H62-V279 HydrophobicContact CB-CG1 4.13Å; H62-V302 WeakPolarHBondContact CA-O 3.44Å; H62-V302 WeakPolarHBondContact CB-O 3.48Å
63I94Very high93.4Very high0 Ų016.9 Ų16.90%09%0.091CC..Hα-helixtrans-52.5-36.1-176.3-167.461.2000114.1H65 A66 K67 L272 L274 V302 L307 I317 F320 L338I63-H65 VanDerWaalsContact C-N 3.29Å; I63-H65 PolarHBondContact O-N 2.94Å; I63-A66 HydrophobicContact CD1-CB 4.36Å; I63-A66 WeakPolarHBondContact O-CB 3.46Å; I63-A66 PolarHBondContact O-N 3.02Å; I63-A66 VanDerWaalsContact O-N 3.12Å; I63-K67 PolarHBondContact O-N 2.76Å; I63-L272 HydrophobicContact CG1-CD2 3.93Å; I63-L274 HydrophobicContact CG1-CD1 4.3Å; I63-L274 HydrophobicContact CG2-CD1 4.11Å; I63-L274 HydrophobicContact CG2-CG 4.13Å; I63-V302 HydrophobicContact CG2-CB 4.28Å; I63-V302 HydrophobicContact CG2-CG2 4.29Å; I63-V302 PolarHBondContact N-O 3.25Å; I63-L307 HydrophobicContact CB-CD1 4.35Å; I63-L307 HydrophobicContact CD1-CD1 3.91Å; I63-I317 HydrophobicContact CD1-CG2 4.05Å; I63-F320 HydrophobicContact CD1-CD1 4.36Å; I63-F320 HydrophobicContact CD1-CE1 4.39Å; I63-F320 HydrophobicContact CG1-CE1 4.29Å; I63-L338 HydrophobicContact CD1-CD2 4.16Å
64G92.6Very high93.2Very high10 Ų1017.6 Ų17.610%0.10310%0.1CC..Hα-helixtrans-59.6-34.4171.900000114.7H62 K67 A68 L272H62-G64 WeakPolarHBondContact ND1-CA 3.44Å; H62-G64 PolarHBondContact ND1-N 2.94Å; H62-G64 PolarHBondContact O-N 2.66Å; G64-K67 PolarHBondContact O-N 2.86Å; G64-A68 PolarHBondContact O-N 2.99Å; G64-L272 WeakPolarHBondContact CA-O 3.46Å
65H94.7Very high93.1Very high55 Ų5517.1 Ų17.126%0.25510%0.095SC..Hα-helixtrans-72.4-33.6173.8-63.7112.7000111.8F53 L61 H62 I63 K67 A68 I69F53-H65 HydrophobicContact CZ-CB 4.19Å; L61-H65 HydrophobicContact CB-CB 4.03Å; L61-H65 HydrophobicContact CD2-CB 4Å; L61-H65 HydrophobicContact CG-CB 4.41Å; H62-H65 AromaticContact CD2-CE1 3.63Å; H62-H65 AromaticContact CD2-ND1 3.56Å; H62-H65 AromaticContact CE1-CE1 3.53Å; H62-H65 AromaticContact CE1-ND1 3.33Å; H62-H65 PolarHBondContact CE1-ND1 3.34Å; H62-H65 VanDerWaalsContact CE1-ND1 3.33Å; H62-H65 AromaticContact CG-ND1 3.47Å; H62-H65 PolarHBondContact N-ND1 3.34Å; H62-H65 VanDerWaalsContact N-ND1 3.19Å; H62-H65 AromaticContact ND1-CE1 3.95Å; H62-H65 PolarHBondContact ND1-N 2.97Å; H62-H65 AromaticContact ND1-ND1 3.32Å; H62-H65 PolarHBondContact ND1-ND1 2.85Å; H62-H65 AromaticContact NE2-CE1 3.34Å; H62-H65 PolarHBondContact NE2-CE1 3.05Å; H62-H65 VanDerWaalsContact NE2-CE1 3.34Å; H62-H65 AromaticContact NE2-ND1 3.52Å; H62-H65 WeakPolarHBondContact O-CA 3.19Å; H62-H65 VanDerWaalsContact O-CB 3.28Å; H62-H65 WeakPolarHBondContact O-CB 3.23Å; H62-H65 PolarHBondContact O-N 3.08Å; I63-H65 VanDerWaalsContact C-N 3.29Å; I63-H65 PolarHBondContact O-N 2.94Å; H65-K67 VanDerWaalsContact C-N 3.25Å; H65-K67 PolarHBondContact O-N 3.06Å; H65-A68 WeakPolarHBondContact O-CB 3.19Å; H65-A68 PolarHBondContact O-N 3.49Å; H65-I69 VanDerWaalsContact O-CG1 3.29Å; H65-I69 WeakPolarHBondContact O-CG1 3.4Å; H65-I69 PolarHBondContact O-N 3.34Å
66A95.3Very high93.2Very high0 Ų016.8 Ų16.80%09%0.093CC..Hα-helixtrans-59.6-37.1172.300000112.2H62 I63 N70 L110 L304 I317H62-A66 PolarHBondContact O-N 3.41Å; I63-A66 HydrophobicContact CD1-CB 4.36Å; I63-A66 WeakPolarHBondContact O-CB 3.46Å; I63-A66 PolarHBondContact O-N 3.02Å; I63-A66 VanDerWaalsContact O-N 3.12Å; A66-N70 WeakPolarHBondContact O-CB 3.45Å; A66-N70 PolarHBondContact O-N 3.35Å; A66-N70 PolarHBondContact O-ND2 3.49Å; A66-L110 HydrophobicContact CB-CD1 4Å; A66-L304 HydrophobicContact CB-CD1 4.34Å; A66-L304 HydrophobicContact CB-CD2 3.74Å; A66-I317 HydrophobicContact CB-CG2 3.69Å
67K93.7Very high93.4Very high7 Ų720.3 Ų20.33%0.0311%0.107CC..Hα-helixtrans-64.1-44.2171.4-178.3174.3-178.6-177.10111.8I63 G64 H65 N70 F71 G270 L272 G325I63-K67 PolarHBondContact O-N 2.76Å; G64-K67 PolarHBondContact O-N 2.86Å; H65-K67 VanDerWaalsContact C-N 3.25Å; H65-K67 PolarHBondContact O-N 3.06Å; K67-N70 PolarHBondContact O-N 3.14Å; K67-F71 WeakPolarHBondContact O-CB 3.37Å; K67-F71 PolarHBondContact O-N 3.46Å; K67-G270 PolarHBondContact NZ-O 3.29Å; K67-L272 HydrophobicContact CB-CB 4.12Å; K67-L272 HydrophobicContact CB-CD2 3.96Å; K67-L272 HydrophobicContact CD-CB 3.65Å; K67-L272 HydrophobicContact CD-CD2 4.39Å; K67-G325 WeakPolarHBondContact CE-O 3.39Å
68A94.1Very high93.5Very high8 Ų825.4 Ų25.47%0.06613%0.129CC..Hα-helixtrans-62.4-42.6178.600000112.4F53 G64 H65 N72 Y269F53-A68 HydrophobicContact CD2-CB 4.12Å; F53-A68 HydrophobicContact CE2-CB 3.89Å; G64-A68 PolarHBondContact O-N 2.99Å; H65-A68 WeakPolarHBondContact O-CB 3.19Å; H65-A68 PolarHBondContact O-N 3.49Å; A68-N72 WeakPolarHBondContact O-CB 3.43Å; A68-N72 PolarHBondContact O-N 3.36Å; A68-N72 PolarHBondContact O-ND2 3.01Å; A68-Y269 VanDerWaalsContact CA-OH 3.28Å; A68-Y269 WeakPolarHBondContact CA-OH 3.26Å; A68-Y269 WeakPolarHBondContact CB-OH 3.38Å
69I96.4Very high93.9Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-63.2-54.9175.2-67.6164.6000109.5F53 L61 H65 F71 N72 F73 V107 L110 F112F53-I69 HydrophobicContact CD1-CD1 4.2Å; F53-I69 HydrophobicContact CD1-CG1 3.61Å; F53-I69 HydrophobicContact CD2-CG1 3.95Å; F53-I69 HydrophobicContact CE1-CD1 3.75Å; F53-I69 HydrophobicContact CE1-CG1 3.57Å; F53-I69 HydrophobicContact CE2-CG1 3.91Å; F53-I69 HydrophobicContact CG-CG1 3.82Å; F53-I69 HydrophobicContact CZ-CD1 3.99Å; F53-I69 HydrophobicContact CZ-CG1 3.73Å; L61-I69 HydrophobicContact CD1-CD1 3.98Å; H65-I69 VanDerWaalsContact O-CG1 3.29Å; H65-I69 WeakPolarHBondContact O-CG1 3.4Å; H65-I69 PolarHBondContact O-N 3.34Å; I69-F71 PolarHBondContact O-N 3.2Å; I69-N72 PolarHBondContact O-N 3.46Å; I69-F73 HydrophobicContact CB-CD2 4.5Å; I69-F73 HydrophobicContact CG2-CD2 3.75Å; I69-F73 HydrophobicContact CG2-CE2 4.12Å; I69-F73 WeakPolarHBondContact O-CB 3.28Å; I69-F73 WeakPolarHBondContact O-CD2 3.5Å; I69-F73 PolarHBondContact O-N 2.86Å; I69-V107 HydrophobicContact CD1-CG2 3.84Å; I69-V107 HydrophobicContact CG1-CG2 4.27Å; I69-L110 HydrophobicContact CB-CD1 4.4Å; I69-L110 HydrophobicContact CD1-CD1 3.89Å; I69-L110 HydrophobicContact CG2-CD1 4.2Å; I69-F112 HydrophobicContact CG2-CD2 3.4Å; I69-F112 VanDerWaalsContact CG2-CD2 3.4Å; I69-F112 HydrophobicContact CG2-CE2 3.81Å; I69-F112 HydrophobicContact CG2-CG 4.09Å
70N95Very high94.3Very high12 Ų1230.4 Ų30.46%0.06416%0.164CC..Hα-helixtrans-53.6-43.3179-100.3-89.8000111.9A66 K67 G74 F112 N318 C321A66-N70 WeakPolarHBondContact O-CB 3.45Å; A66-N70 PolarHBondContact O-N 3.35Å; A66-N70 PolarHBondContact O-ND2 3.49Å; K67-N70 PolarHBondContact O-N 3.14Å; N70-G74 WeakPolarHBondContact O-CA 3.48Å; N70-G74 PolarHBondContact O-N 2.88Å; N70-F112 HydrophobicContact CB-CZ 4.48Å; N70-N318 PolarHBondContact ND2-OD1 3.31Å; N70-C321 HydrophobicContact CB-CB 3.78Å
71F93.8Very high94.7Very high17 Ų1729.5 Ų29.58%0.07516%0.164CC..Hα-helixtrans-70.2-49.2-177.7-173.7-157.2000112A13 F16 K67 I69 Y75 L240 Y269 V326A13-F71 HydrophobicContact CB-CE2 4.07Å; A13-F71 HydrophobicContact CB-CZ 4.19Å; F16-F71 HydrophobicContact CE2-CE1 4.42Å; F16-F71 HydrophobicContact CE2-CE2 4.19Å; F16-F71 AromaticContact CE2-CZ 3.51Å; F16-F71 HydrophobicContact CE2-CZ 3.51Å; F16-F71 HydrophobicContact CZ-CE1 4.4Å; F16-F71 AromaticContact CZ-CZ 3.71Å; F16-F71 HydrophobicContact CZ-CZ 3.71Å; K67-F71 WeakPolarHBondContact O-CB 3.37Å; K67-F71 PolarHBondContact O-N 3.46Å; I69-F71 PolarHBondContact O-N 3.2Å; F71-Y75 HydrophobicContact CE2-CD2 4.22Å; F71-Y75 HydrophobicContact CE2-CG 4.39Å; F71-Y75 WeakPolarHBondContact O-CB 3.37Å; F71-Y75 PolarHBondContact O-N 3.26Å; F71-L240 HydrophobicContact CD1-CB 4.37Å; F71-L240 HydrophobicContact CD1-CD1 3.94Å; F71-L240 HydrophobicContact CD2-CD1 4.06Å; F71-L240 HydrophobicContact CE1-CB 4.26Å; F71-L240 HydrophobicContact CE1-CD1 3.83Å; F71-L240 HydrophobicContact CE1-CD2 4.19Å; F71-L240 HydrophobicContact CE1-CG 4.32Å; F71-L240 HydrophobicContact CE2-CD1 3.92Å; F71-L240 HydrophobicContact CG-CD1 4.07Å; F71-L240 HydrophobicContact CZ-CD1 3.84Å; F71-L240 HydrophobicContact CZ-CD2 4.17Å; F71-Y269 AromaticContact CD1-CD1 3.44Å; F71-Y269 HydrophobicContact CD1-CD1 3.44Å; F71-Y269 VanDerWaalsContact CD1-CD1 3.44Å; F71-Y269 HydrophobicContact CD1-CD2 4.38Å; F71-Y269 AromaticContact CD1-CE1 3.6Å; F71-Y269 HydrophobicContact CD1-CE1 3.6Å; F71-Y269 AromaticContact CD1-CG 3.87Å; F71-Y269 HydrophobicContact CD1-CG 3.87Å; F71-Y269 AromaticContact CE1-CD1 3.46Å; F71-Y269 HydrophobicContact CE1-CD1 3.46Å; F71-Y269 VanDerWaalsContact CE1-CD1 3.46Å; F71-Y269 HydrophobicContact CE1-CE1 4.02Å; F71-Y269 AromaticContact CE1-CG 3.95Å; F71-Y269 HydrophobicContact CE1-CG 3.95Å; F71-V326 HydrophobicContact CD1-CG1 4.32Å; F71-V326 HydrophobicContact CD1-CG2 4.04Å; F71-V326 HydrophobicContact CD2-CG2 3.58Å; F71-V326 HydrophobicContact CE1-CB 4.41Å; F71-V326 HydrophobicContact CE1-CG1 3.56Å; F71-V326 HydrophobicContact CE1-CG2 3.92Å; F71-V326 HydrophobicContact CE2-CB 4.4Å; F71-V326 HydrophobicContact CE2-CG1 4.24Å; F71-V326 HydrophobicContact CE2-CG2 3.48Å; F71-V326 VanDerWaalsContact CE2-CG2 3.48Å; F71-V326 HydrophobicContact CG-CG2 3.88Å; F71-V326 HydrophobicContact CZ-CB 4.14Å; F71-V326 HydrophobicContact CZ-CG1 3.51Å; F71-V326 HydrophobicContact CZ-CG2 3.62Å
72N95.9Very high94.8Very high1 Ų131.1 Ų31.11%0.00517%0.172CC..Hα-helixtrans-63.4-50.1-178.5-81.6-73.6000112.5T51 R52 A68 I69 A76 T83 L240T51-N72 PolarHBondContact OG1-O 3.43Å; R52-N72 PolarHBondContact O-ND2 3.06Å; R52-N72 PolarHBondContact O-OD1 2.74Å; A68-N72 WeakPolarHBondContact O-CB 3.43Å; A68-N72 PolarHBondContact O-N 3.36Å; A68-N72 PolarHBondContact O-ND2 3.01Å; I69-N72 PolarHBondContact O-N 3.46Å; N72-A76 PolarHBondContact O-N 2.89Å; N72-T83 HydrophobicContact CB-CG2 4.2Å; N72-T83 PolarHBondContact O-OG1 2.92Å; N72-L240 WeakPolarHBondContact OD1-CB 3.33Å
73F96.9Very high95Very high10 Ų1030.9 Ų30.94%0.04417%0.171CC..Hα-helixtrans-72.5-43.2-180-75.9-92.4000112.2F53 I69 K77 T83 V107 F112 P114F53-F73 HydrophobicContact CB-CE2 3.84Å; I69-F73 HydrophobicContact CB-CD2 4.5Å; I69-F73 HydrophobicContact CG2-CD2 3.75Å; I69-F73 HydrophobicContact CG2-CE2 4.12Å; I69-F73 WeakPolarHBondContact O-CB 3.28Å; I69-F73 WeakPolarHBondContact O-CD2 3.5Å; I69-F73 PolarHBondContact O-N 2.86Å; F73-K77 VanDerWaalsContact O-CB 3.22Å; F73-K77 WeakPolarHBondContact O-CB 3.2Å; F73-K77 PolarHBondContact O-N 3.38Å; F73-T83 WeakPolarHBondContact CA-OG1 3.19Å; F73-T83 HydrophobicContact CD1-CG2 3.77Å; F73-T83 HydrophobicContact CD2-CG2 3.73Å; F73-T83 HydrophobicContact CE1-CG2 3.74Å; F73-T83 HydrophobicContact CE2-CG2 3.7Å; F73-T83 HydrophobicContact CG-CG2 3.77Å; F73-T83 HydrophobicContact CZ-CG2 3.71Å; F73-V107 HydrophobicContact CE1-CG1 4.45Å; F73-V107 HydrophobicContact CE2-CG1 3.98Å; F73-V107 HydrophobicContact CZ-CG1 3.76Å; F73-F112 HydrophobicContact CB-CB 4.28Å; F73-F112 HydrophobicContact CB-CD1 3.28Å; F73-F112 HydrophobicContact CB-CE1 3.66Å; F73-F112 HydrophobicContact CB-CG 3.82Å; F73-F112 HydrophobicContact CB-CZ 4.49Å; F73-F112 HydrophobicContact CD1-CB 3.77Å; F73-F112 HydrophobicContact CD1-CD1 4.2Å; F73-F112 HydrophobicContact CD1-CG 4.25Å; F73-F112 HydrophobicContact CD2-CB 4.31Å; F73-F112 HydrophobicContact CD2-CG 4.4Å; F73-F112 HydrophobicContact CE1-CB 4.11Å; F73-F112 HydrophobicContact CG-CB 3.87Å; F73-F112 AromaticContact CG-CD1 3.85Å; F73-F112 HydrophobicContact CG-CD1 3.85Å; F73-F112 AromaticContact CG-CG 3.92Å; F73-F112 HydrophobicContact CG-CG 3.92Å; F73-P114 HydrophobicContact CE1-CG 4.47Å; F73-P114 HydrophobicContact CZ-CG 4.23Å
74G93.8Very high95.2Very high21 Ų2132.5 Ų32.522%0.21618%0.178CC..Hα-helixtrans-63.9-43.2-179.900000112.3N70 K77 K78N70-G74 WeakPolarHBondContact O-CA 3.48Å; N70-G74 PolarHBondContact O-N 2.88Å; G74-K77 PolarHBondContact O-N 3.34Å; G74-K78 WeakPolarHBondContact O-CB 3.2Å; G74-K78 WeakPolarHBondContact O-CG 3.24Å; G74-K78 PolarHBondContact O-N 3.09Å
75Y94Very high95.5Very high16 Ų1632 Ų326%0.06317%0.173CC..Hα-helixtrans-63.4-49.8178-175.4-96.3000111.6V9 A13 F16 V49 T51 F71 K77 K78 H79 H238V9-Y75 HydrophobicContact CG1-CD2 4.48Å; V9-Y75 HydrophobicContact CG1-CE2 4.35Å; A13-Y75 HydrophobicContact CB-CE2 4.49Å; F16-Y75 WeakPolarHBondContact CB-OH 3.46Å; F16-Y75 HydrophobicContact CD2-CD2 4.47Å; F16-Y75 HydrophobicContact CD2-CE1 4.38Å; F16-Y75 AromaticContact CD2-CE2 3.78Å; F16-Y75 HydrophobicContact CD2-CE2 3.78Å; F16-Y75 AromaticContact CD2-CZ 3.72Å; F16-Y75 HydrophobicContact CE2-CE2 4.45Å; V49-Y75 HydrophobicContact CG1-CD1 3.85Å; V49-Y75 HydrophobicContact CG1-CE1 3.77Å; V49-Y75 HydrophobicContact CG2-CE1 4.5Å; T51-Y75 HydrophobicContact CG2-CD1 4.08Å; F71-Y75 HydrophobicContact CE2-CD2 4.22Å; F71-Y75 HydrophobicContact CE2-CG 4.39Å; F71-Y75 WeakPolarHBondContact O-CB 3.37Å; F71-Y75 PolarHBondContact O-N 3.26Å; Y75-K77 PolarHBondContact O-N 2.82Å; Y75-K78 PolarHBondContact O-N 2.89Å; Y75-H79 AromaticContact CD2-CD2 3.93Å; Y75-H79 AromaticContact CE1-CD2 3.88Å; Y75-H79 AromaticContact CE2-CD2 3.64Å; Y75-H79 AromaticContact CE2-NE2 3.45Å; Y75-H79 WeakPolarHBondContact CE2-NE2 3.29Å; Y75-H79 AromaticContact CZ-CD2 3.61Å; Y75-H79 AromaticContact CZ-NE2 3.67Å; Y75-H79 PolarHBondContact O-CD2 3.47Å; Y75-H79 VanDerWaalsContact O-CD2 3.27Å; Y75-H79 PolarHBondContact O-N 3.49Å; Y75-H238 HydrophobicContact CE1-CB 4.36Å; Y75-H238 AromaticContact CE1-CD2 3.5Å; Y75-H238 AromaticContact CE1-CE1 3.83Å; Y75-H238 AromaticContact CE1-CG 3.69Å; Y75-H238 AromaticContact CE1-ND1 3.86Å; Y75-H238 AromaticContact CE1-NE2 3.58Å; Y75-H238 AromaticContact CZ-CD2 3.79Å; Y75-H238 AromaticContact CZ-NE2 3.68Å; Y75-H238 PolarHBondContact OH-CD2 2.79Å; Y75-H238 PolarHBondContact OH-NE2 3.22Å
76A95.8Very high95.7Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-58.7-49.1176.800000111.5V49 T51 N72 K78 H79 G80 G81 I82 T83V49-A76 HydrophobicContact CG1-CB 4.34Å; T51-A76 HydrophobicContact CG2-CB 4.09Å; T51-A76 WeakPolarHBondContact OG1-CB 3.44Å; N72-A76 PolarHBondContact O-N 2.89Å; A76-K78 VanDerWaalsContact C-N 3.34Å; A76-K78 PolarHBondContact O-N 2.99Å; A76-H79 CarbonylContact O-C 3.52Å; A76-H79 PolarHBondContact O-N 3.35Å; A76-G80 PolarHBondContact O-N 3.44Å; A76-G81 WeakPolarHBondContact O-CA 3.36Å; A76-G81 PolarHBondContact O-N 3.21Å; A76-I82 WeakPolarHBondContact CB-O 3.19Å; A76-T83 WeakPolarHBondContact CB-OG1 3.45Å
77K94.7Very high95.7Very high166 Ų16629.5 Ų29.572%0.72216%0.161SC*.Hα-helixtrans-57.5-43.7179.6-176.2177.4179-179.60112.5F73 G74 Y75 H79 G80F73-K77 VanDerWaalsContact O-CB 3.22Å; F73-K77 WeakPolarHBondContact O-CB 3.2Å; F73-K77 PolarHBondContact O-N 3.38Å; G74-K77 PolarHBondContact O-N 3.34Å; Y75-K77 PolarHBondContact O-N 2.82Å; K77-H79 PolarHBondContact O-N 3.49Å; K77-G80 PolarHBondContact O-N 3.48Å
78K91.5Very high95.7Very high109 Ų10929.4 Ų29.447%0.47416%0.161SC..Hα-helixtrans-62.5-27.6177.5-78.2-173174.7-152.60113.3S7 V9 G74 Y75 A76S7-K78 PolarHBondContact O-NZ 3Å; S7-K78 PolarHBondContact OG-NZ 2.9Å; V9-K78 HydrophobicContact CG2-CD 4.19Å; G74-K78 WeakPolarHBondContact O-CB 3.2Å; G74-K78 WeakPolarHBondContact O-CG 3.24Å; G74-K78 PolarHBondContact O-N 3.09Å; Y75-K78 PolarHBondContact O-N 2.89Å; A76-K78 VanDerWaalsContact C-N 3.34Å; A76-K78 PolarHBondContact O-N 2.99Å
79H94.3Very high95.7Very high91 Ų9129 Ų2942%0.42116%0.158SC..THydrogen-bonded Turntrans-102.117.6178.8-69.9-71.1000113.6V9 V49 Y75 A76 K77 G81V9-H79 WeakPolarHBondContact CG2-NE2 3.46Å; V49-H79 HydrophobicContact CB-CB 3.99Å; V49-H79 HydrophobicContact CG2-CB 3.57Å; Y75-H79 AromaticContact CD2-CD2 3.93Å; Y75-H79 AromaticContact CE1-CD2 3.88Å; Y75-H79 AromaticContact CE2-CD2 3.64Å; Y75-H79 AromaticContact CE2-NE2 3.45Å; Y75-H79 WeakPolarHBondContact CE2-NE2 3.29Å; Y75-H79 AromaticContact CZ-CD2 3.61Å; Y75-H79 AromaticContact CZ-NE2 3.67Å; Y75-H79 PolarHBondContact O-CD2 3.47Å; Y75-H79 VanDerWaalsContact O-CD2 3.27Å; Y75-H79 PolarHBondContact O-N 3.49Å; A76-H79 CarbonylContact O-C 3.52Å; A76-H79 PolarHBondContact O-N 3.35Å; K77-H79 PolarHBondContact O-N 3.49Å; H79-G81 PolarHBondContact O-N 2.98Å
80G94.7Very high95.5Very high63 Ų6329.5 Ų29.565%0.64916%0.161SC*.THydrogen-bonded Turntrans64.221.5-179.100000113.8A76 K77A76-G80 PolarHBondContact O-N 3.44Å; K77-G80 PolarHBondContact O-N 3.48Å
81G97.1Very high95.3Very high16 Ų1630.1 Ų30.117%0.16516%0.164CC..  trans-96.3-169.3-176.300000114.4V49 A76 H79V49-G81 CarbonylContact O-C 3.57Å; V49-G81 WeakPolarHBondContact O-CA 3.36Å; A76-G81 WeakPolarHBondContact O-CA 3.36Å; A76-G81 PolarHBondContact O-N 3.21Å; H79-G81 PolarHBondContact O-N 2.98Å
82I98.1Very high95.1Very high39 Ų3929.9 Ų29.920%0.216%0.164CC..EExtended strand (participates in β ladder)trans-128.8155.8-17757.6170.7000112.1I48 V49 V50 T51 A76 Y84 H115I48-I82 HydrophobicContact CD1-CD1 4.05Å; I48-I82 HydrophobicContact CD1-CG1 3.99Å; I48-I82 HydrophobicContact CD1-CG2 4.42Å; V49-I82 PolarHBondContact O-N 3.01Å; V50-I82 WeakPolarHBondContact CA-O 3.3Å; V50-I82 HydrophobicContact CB-CG1 4.4Å; V50-I82 HydrophobicContact CG1-CD1 4.41Å; V50-I82 HydrophobicContact CG1-CG1 4.16Å; V50-I82 HydrophobicContact CG2-CD1 4.26Å; V50-I82 HydrophobicContact CG2-CG1 4Å; T51-I82 PolarHBondContact N-O 3.43Å; A76-I82 WeakPolarHBondContact CB-O 3.19Å; I82-Y84 HydrophobicContact CD1-CE2 3.88Å; I82-Y84 HydrophobicContact CG1-CE2 4.46Å; I82-H115 HydrophobicContact CB-CB 3.83Å; I82-H115 HydrophobicContact CG2-CB 4.22Å
83T98.6Very high94.5Very high7 Ų734.6 Ų34.64%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-130.7129.2178.5-54.80000111.1T51 N72 F73 A76 H115T51-T83 WeakPolarHBondContact O-CA 3.38Å; T51-T83 WeakPolarHBondContact OG1-CB 3.46Å; T51-T83 WeakPolarHBondContact OG1-CG2 3.42Å; T51-T83 PolarHBondContact OG1-OG1 2.88Å; N72-T83 HydrophobicContact CB-CG2 4.2Å; N72-T83 PolarHBondContact O-OG1 2.92Å; F73-T83 WeakPolarHBondContact CA-OG1 3.19Å; F73-T83 HydrophobicContact CD1-CG2 3.77Å; F73-T83 HydrophobicContact CD2-CG2 3.73Å; F73-T83 HydrophobicContact CE1-CG2 3.74Å; F73-T83 HydrophobicContact CE2-CG2 3.7Å; F73-T83 HydrophobicContact CG-CG2 3.77Å; F73-T83 HydrophobicContact CZ-CG2 3.71Å; A76-T83 WeakPolarHBondContact CB-OG1 3.45Å; T83-H115 WeakPolarHBondContact O-CB 3.41Å; T83-H115 PolarHBondContact O-N 3.29Å
84Y98.5Very high93.5Very high35 Ų3539.5 Ų39.514%0.13721%0.207CC..EExtended strand (participates in β ladder)trans-85.4145173.3-73-117.4000110.3V50 T51 R52 F53 I82 K116 T118 E234 I236V50-Y84 HydrophobicContact CG1-CD2 3.94Å; V50-Y84 HydrophobicContact CG1-CE2 3.7Å; T51-Y84 PolarHBondContact O-N 3.36Å; R52-Y84 CarbonylContact C-O 3.52Å; R52-Y84 WeakPolarHBondContact CA-O 3.15Å; F53-Y84 PolarHBondContact N-O 3.01Å; I82-Y84 HydrophobicContact CD1-CE2 3.88Å; I82-Y84 HydrophobicContact CG1-CE2 4.46Å; Y84-K116 WeakPolarHBondContact CA-O 3.33Å; Y84-K116 HydrophobicContact CD1-CB 3.97Å; Y84-K116 HydrophobicContact CE1-CB 3.89Å; Y84-K116 HydrophobicContact CE1-CD 4.05Å; Y84-K116 HydrophobicContact CE1-CG 4.46Å; Y84-T118 HydrophobicContact CD1-CG2 3.81Å; Y84-T118 HydrophobicContact CE1-CG2 4.07Å; Y84-E234 HydrophobicContact CE1-CG 4.48Å; Y84-I236 HydrophobicContact CD2-CD1 4.3Å
85L98.6Very high92.4Very high0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-100.9101.1159.4173.359.4000106.5F53 P55 Y87 I103 E104 V107 P114 K116 I117 T118F53-L85 HydrophobicContact CD1-CD1 3.74Å; F53-L85 HydrophobicContact CE1-CD1 4.45Å; P55-L85 HydrophobicContact CG-CD1 3.86Å; L85-Y87 HydrophobicContact CG-CE2 4.47Å; L85-I103 HydrophobicContact CD1-CG2 4.19Å; L85-E104 HydrophobicContact CD2-CB 4.25Å; L85-E104 HydrophobicContact CD2-CG 4.37Å; L85-V107 HydrophobicContact CD1-CG2 4.37Å; L85-P114 HydrophobicContact CB-CB 3.72Å; L85-P114 HydrophobicContact CB-CG 3.69Å; L85-P114 HydrophobicContact CD2-CG 3.92Å; L85-P114 HydrophobicContact CG-CG 4.47Å; L85-K116 PolarHBondContact N-O 3.33Å; L85-I117 HydrophobicContact CB-CG1 4.34Å; L85-I117 HydrophobicContact CD2-CD1 4.44Å; L85-I117 HydrophobicContact CD2-CG1 4.36Å; L85-I117 VanDerWaalsContact O-CA 3.3Å; L85-I117 WeakPolarHBondContact O-CA 3.42Å; L85-T118 PolarHBondContact O-N 3.35Å
86R98Very high91.5Very high0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-103.8118.8-179.4-176.1178.568.6-142.26.8110.1R52 F53 P54 P55 D88 T118 H227 D231 E234R52-R86 VanDerWaalsContact NE-NH2 3.15Å; F53-R86 PolarHBondContact O-N 3.36Å; P54-R86 CarbonylContact C-O 3.58Å; P54-R86 WeakPolarHBondContact CA-O 3.4Å; P55-R86 WeakPolarHBondContact CD-O 3.27Å; R86-D88 IonicContact CZ-OD1 2.83Å; R86-D88 IonicContact NE-OD1 3.48Å; R86-D88 PolarHBondContact NE-OD1 3.4Å; R86-D88 IonicContact NH2-OD1 3.64Å; R86-D88 PolarHBondContact NH2-OD1 3.2Å; R86-D88 PolarHBondContact O-N 3.16Å; R86-T118 CarbonylContact C-O 3.6Å; R86-T118 WeakPolarHBondContact CA-O 3.4Å; R86-T118 WeakPolarHBondContact CB-OG1 3.38Å; R86-H227 PolarHBondContact NH2-CE1 3.2Å; R86-H227 PolarHBondContact NH2-ND1 3.41Å; R86-H227 VanDerWaalsContact NH2-ND1 3.19Å; R86-D231 IonicContact CZ-OD1 2.73Å; R86-D231 VanDerWaalsContact CZ-OD1 3.25Å; R86-D231 IonicContact NH1-OD1 3.63Å; R86-D231 PolarHBondContact NH1-OD1 3.01Å; R86-D231 IonicContact NH2-OD1 3.74Å; R86-D231 PolarHBondContact NH2-OD1 2.83Å; R86-E234 WeakPolarHBondContact CD-OE1 3.33Å; R86-E234 WeakPolarHBondContact CD-OE2 3.01Å; R86-E234 IonicContact CZ-OE2 3.76Å; R86-E234 IonicContact NE-OE2 3.36Å; R86-E234 IonicContact NH1-OE2 2.78Å; R86-E234 PolarHBondContact NH1-OE2 3.21Å
87Y96.4Very high90.7Very high1 Ų147.5 Ų47.50%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-74.7119.1168.3-65.2-71.4000109.3P55 P57 L85 D89 F100 I103 I117 T118 Y119 A120P55-Y87 HydrophobicContact CG-CD1 4.37Å; P55-Y87 HydrophobicContact CG-CE1 4.43Å; P57-Y87 HydrophobicContact CB-CD1 4.01Å; P57-Y87 HydrophobicContact CG-CD1 4.31Å; L85-Y87 HydrophobicContact CG-CE2 4.47Å; Y87-D89 PolarHBondContact O-N 2.89Å; Y87-D89 VanDerWaalsContact O-OD1 3.07Å; Y87-F100 AromaticContact CD1-CD1 3.67Å; Y87-F100 HydrophobicContact CD1-CD1 3.67Å; Y87-F100 HydrophobicContact CD1-CE1 4.06Å; Y87-F100 AromaticContact CD2-CD1 3.74Å; Y87-F100 HydrophobicContact CD2-CD1 3.74Å; Y87-F100 HydrophobicContact CD2-CE1 4.21Å; Y87-F100 HydrophobicContact CE1-CB 4.4Å; Y87-F100 AromaticContact CE1-CD1 3.91Å; Y87-F100 HydrophobicContact CE1-CD1 3.91Å; Y87-F100 HydrophobicContact CE1-CG 4.48Å; Y87-F100 AromaticContact CE2-CD1 3.95Å; Y87-F100 HydrophobicContact CE2-CD1 3.95Å; Y87-F100 AromaticContact CG-CD1 3.58Å; Y87-F100 HydrophobicContact CG-CD1 3.58Å; Y87-F100 AromaticContact CG-CE1 3.77Å; Y87-F100 HydrophobicContact CG-CE1 3.77Å; Y87-F100 PolarHBondContact OH-O 3.16Å; Y87-I103 HydrophobicContact CE1-CB 3.97Å; Y87-I103 HydrophobicContact CE1-CD1 4.09Å; Y87-I103 HydrophobicContact CE1-CG2 3.69Å; Y87-I117 HydrophobicContact CD2-CG2 3.99Å; Y87-I117 HydrophobicContact CE2-CG2 3.59Å; Y87-T118 PolarHBondContact N-O 3.27Å; Y87-Y119 AromaticContact CD2-CD1 3.87Å; Y87-Y119 HydrophobicContact CD2-CD1 3.87Å; Y87-Y119 AromaticContact CD2-CE1 3.39Å; Y87-Y119 HydrophobicContact CD2-CE1 3.39Å; Y87-Y119 AromaticContact CD2-CZ 3.76Å; Y87-Y119 HydrophobicContact CE2-CE1 4.14Å; Y87-Y119 HydrophobicContact CG-CD1 4.26Å; Y87-Y119 HydrophobicContact CG-CE1 4.09Å; Y87-A120 PolarHBondContact O-N 2.75Å
88D93.9Very high90.2Very high5 Ų546.2 Ų46.23%0.02725%0.249CC..  trans-81.859.1174.8-84.94.1000109.9P55 E56 R86 T90 Y223 H227P55-D88 PolarHBondContact O-N 3.06Å; P55-D88 VanDerWaalsContact O-N 3.09Å; E56-D88 HydrophobicContact CG-CB 4.45Å; R86-D88 IonicContact CZ-OD1 2.83Å; R86-D88 IonicContact NE-OD1 3.48Å; R86-D88 PolarHBondContact NE-OD1 3.4Å; R86-D88 IonicContact NH2-OD1 3.64Å; R86-D88 PolarHBondContact NH2-OD1 3.2Å; R86-D88 PolarHBondContact O-N 3.16Å; D88-T90 VanDerWaalsContact C-N 3.31Å; D88-T90 PolarHBondContact O-N 3.01Å; D88-Y223 VanDerWaalsContact OD2-CE2 3.3Å; D88-Y223 WeakPolarHBondContact OD2-CE2 3.24Å; D88-H227 IonicContact OD2-CE1 3.87Å; D88-H227 PolarHBondContact OD2-CE1 2.87Å; D88-H227 IonicContact OD2-ND1 2.87Å; D88-H227 PolarHBondContact OD2-ND1 2.88Å
89D94.1Very high90.1Very high0 Ų041.8 Ų41.80%023%0.23CC..  trans-79.667.2-176.564.5-27.1000112.2P57 Y87 E95 A120 S121 F124 H210 H211 R212P57-D89 HydrophobicContact CG-CB 4.37Å; Y87-D89 PolarHBondContact O-N 2.89Å; Y87-D89 VanDerWaalsContact O-OD1 3.07Å; D89-E95 WeakPolarHBondContact CA-OE1 3.36Å; D89-A120 WeakPolarHBondContact OD1-CA 3.46Å; D89-A120 WeakPolarHBondContact OD1-CB 3.26Å; D89-A120 PolarHBondContact OD1-N 3.33Å; D89-S121 PolarHBondContact OD1-N 2.81Å; D89-S121 VanDerWaalsContact OD2-CB 3.24Å; D89-S121 WeakPolarHBondContact OD2-CB 3.41Å; D89-S121 PolarHBondContact OD2-OG 3.47Å; D89-F124 WeakPolarHBondContact O-CZ 3.49Å; D89-H210 PolarHBondContact O-NE2 3.4Å; D89-H210 IonicContact OD2-CE1 3.77Å; D89-H210 PolarHBondContact OD2-CE1 2.96Å; D89-H211 IonicContact OD2-CE1 3.24Å; D89-H211 IonicContact OD2-NE2 3.67Å; D89-H211 PolarHBondContact OD2-NE2 3.39Å; D89-H211 VanDerWaalsContact OD2-NE2 3.16Å; D89-R212 WeakPolarHBondContact OD2-CD 3.46Å
90T92.6Very high90Very high10 Ų1038.3 Ų38.36%0.06121%0.213CC..  trans-107.26.8-179.460.80000112.7D88 E95 A120 F124 R204 P221 T226D88-T90 VanDerWaalsContact C-N 3.31Å; D88-T90 PolarHBondContact O-N 3.01Å; T90-E95 PolarHBondContact N-OE1 3.49Å; T90-A120 HydrophobicContact CG2-CB 3.82Å; T90-F124 HydrophobicContact CG2-CE1 4.3Å; T90-R204 PolarHBondContact O-NH2 3.44Å; T90-P221 HydrophobicContact CG2-CG 4.45Å; T90-T226 HydrophobicContact CG2-CG2 3.66Å
91N90.9Very high89.9Confident25 Ų2542.4 Ų42.413%0.13422%0.216CC..  trans-132.696.4-174.2-169.628.6000112.2E93 K94 E95 R204N91-E93 PolarHBondContact O-N 3.45Å; N91-K94 VanDerWaalsContact ND2-CD 3.33Å; N91-K94 WeakPolarHBondContact ND2-CD 3.36Å; N91-K94 WeakPolarHBondContact ND2-CG 3.47Å; N91-K94 PolarHBondContact O-N 3.47Å; N91-E95 PolarHBondContact N-OE1 2.87Å; N91-E95 WeakPolarHBondContact O-CG 3.47Å; N91-E95 VanDerWaalsContact O-OE1 3.1Å; N91-R204 PolarHBondContact OD1-NH2 2.9Å; N91-R204 VanDerWaalsContact OD1-NH2 3.1Å
92P88.7Confident89.7Confident12 Ų1242.9 Ų42.98%0.07822%0.218CC..THydrogen-bonded Turntrans-62.8-20.1-168.829.9-40.5000114.4K206 T208 Y220P92-K206 HydrophobicContact CG-CB 4.09Å; P92-T208 HydrophobicContact CB-CG2 4.18Å; P92-Y220 HydrophobicContact CB-CE1 4.3Å; P92-Y220 HydrophobicContact CB-CE2 4.33Å; P92-Y220 HydrophobicContact CG-CD1 4.49Å; P92-Y220 HydrophobicContact CG-CD2 3.97Å; P92-Y220 HydrophobicContact CG-CE1 4.18Å; P92-Y220 HydrophobicContact CG-CE2 3.59Å; P92-Y220 HydrophobicContact CG-CG 4.37Å
93E84.1Confident89.6Confident100 Ų10041.1 Ų41.147%0.46721%0.209SC..THydrogen-bonded Turntrans-83.2-16.8-175.5-66.3174.6160.400114.6N91 K206 T208N91-E93 PolarHBondContact O-N 3.45Å; E93-K206 WeakPolarHBondContact OE1-CE 3.3Å; E93-K206 IonicContact OE1-NZ 3.63Å; E93-K206 PolarHBondContact OE1-NZ 2.88Å; E93-K206 IonicContact OE2-NZ 3.96Å; E93-K206 PolarHBondContact OE2-NZ 3.31Å; E93-T208 HydrophobicContact CG-CG2 4.22Å
94K74.4Confident89.5Confident113 Ų11343.2 Ų43.249%0.49122%0.218SC..SBendtrans-114.64.5-166.3-71.1-169-173.4174.30114.6N58 N91N58-K94 WeakPolarHBondContact CA-O 3.49Å; N58-K94 HydrophobicContact CB-CB 3.99Å; N58-K94 VanDerWaalsContact CB-O 3.25Å; N58-K94 WeakPolarHBondContact CB-O 3.34Å; N91-K94 VanDerWaalsContact ND2-CD 3.33Å; N91-K94 WeakPolarHBondContact ND2-CD 3.36Å; N91-K94 WeakPolarHBondContact ND2-CG 3.47Å; N91-K94 PolarHBondContact O-N 3.47Å
95E71.8Confident89.5Confident26 Ų2645 Ų4512%0.12123%0.23CC..  trans-105.9124-165.4-63.7164.5178.800109.4P57 D89 T90 N91 F100 H210 H211P57-E95 HydrophobicContact CG-CG 4.18Å; D89-E95 WeakPolarHBondContact CA-OE1 3.36Å; T90-E95 PolarHBondContact N-OE1 3.49Å; N91-E95 PolarHBondContact N-OE1 2.87Å; N91-E95 WeakPolarHBondContact O-CG 3.47Å; N91-E95 VanDerWaalsContact O-OE1 3.1Å; E95-F100 HydrophobicContact CB-CE2 4.35Å; E95-F100 HydrophobicContact CB-CZ 4.44Å; E95-H210 IonicContact OE2-CD2 3.99Å; E95-H210 IonicContact OE2-NE2 3.73Å; E95-H210 PolarHBondContact OE2-NE2 3.16Å; E95-H211 IonicContact OE2-CD2 2.75Å; E95-H211 PolarHBondContact OE2-CD2 3.01Å; E95-H211 IonicContact OE2-CG 2.96Å; E95-H211 IonicContact OE2-NE2 2.95Å
96E74.6Confident89.4Confident105 Ų10545.2 Ų45.249%0.49123%0.232SC..  trans-122.9135.4176.6-61-179.7-169.100108.5E98 F99 F100E96-E98 PolarHBondContact O-N 3.11Å; E96-E98 VanDerWaalsContact O-N 3.12Å; E96-F99 HydrophobicContact CB-CD2 3.69Å; E96-F99 HydrophobicContact CB-CE2 3.83Å; E96-F99 HydrophobicContact CG-CD2 4.3Å; E96-F99 HydrophobicContact CG-CE2 4.03Å; E96-F99 PolarHBondContact O-N 2.91Å; E96-F100 VanDerWaalsContact O-CD2 3.3Å; E96-F100 WeakPolarHBondContact O-CD2 3.34Å
97A79.1Confident89.4Confident75 Ų7545.2 Ų45.262%0.6223%0.232SC*.Hα-helixtrans-53.3-37-175.100000112.5F99 F100A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 3.24Å; A97-F100 WeakPolarHBondContact O-CB 3.44Å; A97-F100 PolarHBondContact O-N 2.6Å; A97-F100 VanDerWaalsContact O-N 3.15Å
98E84.3Confident89.5Confident139 Ų13950.4 Ų50.465%0.6525%0.251SS*.Hα-helixtrans-58.1-35.6178.1-172.9178.2172.300113.1E96 F100 E101 A102E96-E98 PolarHBondContact O-N 3.11Å; E96-E98 VanDerWaalsContact O-N 3.12Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.34Å; E98-E101 PolarHBondContact O-N 2.85Å; E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.4Å; E98-A102 PolarHBondContact O-N 2.73Å
99F89.5Confident89.7Confident15 Ų1552 Ų527%0.06626%0.257CS..Hα-helixtrans-69.6-29.4179.9-66.5-52.2000112.8P57 I60 E96 A97 I103P57-F99 HydrophobicContact CB-CB 4.41Å; I60-F99 HydrophobicContact CD1-CD1 3.88Å; I60-F99 HydrophobicContact CD1-CE1 3.73Å; I60-F99 HydrophobicContact CG1-CE1 4.14Å; E96-F99 HydrophobicContact CB-CD2 3.69Å; E96-F99 HydrophobicContact CB-CE2 3.83Å; E96-F99 HydrophobicContact CG-CD2 4.3Å; E96-F99 HydrophobicContact CG-CE2 4.03Å; E96-F99 PolarHBondContact O-N 2.91Å; A97-F99 VanDerWaalsContact C-N 3.28Å; A97-F99 PolarHBondContact O-N 3.24Å; F99-I103 VanDerWaalsContact O-CB 3.25Å; F99-I103 WeakPolarHBondContact O-CB 3.38Å; F99-I103 VanDerWaalsContact O-CD1 3.28Å; F99-I103 WeakPolarHBondContact O-CD1 3.38Å; F99-I103 WeakPolarHBondContact O-CG1 3.28Å; F99-I103 PolarHBondContact O-N 3.07Å
100F92Very high89.9Confident18 Ų1852.1 Ų52.18%0.07926%0.257CS..Hα-helixtrans-64.9-51.8175.9-65-97.2000110.1P57 Y87 E95 E96 A97 E98 A102 I103 E104 Y119 H211P57-F100 HydrophobicContact CB-CD1 3.92Å; P57-F100 HydrophobicContact CB-CD2 3.98Å; P57-F100 HydrophobicContact CB-CE1 3.68Å; P57-F100 HydrophobicContact CB-CE2 3.73Å; P57-F100 HydrophobicContact CB-CG 4.07Å; P57-F100 HydrophobicContact CB-CZ 3.56Å; P57-F100 HydrophobicContact CG-CD1 4.22Å; P57-F100 HydrophobicContact CG-CE1 3.48Å; P57-F100 VanDerWaalsContact CG-CE1 3.48Å; P57-F100 HydrophobicContact CG-CE2 3.9Å; P57-F100 HydrophobicContact CG-CZ 3.27Å; Y87-F100 AromaticContact CD1-CD1 3.67Å; Y87-F100 HydrophobicContact CD1-CD1 3.67Å; Y87-F100 HydrophobicContact CD1-CE1 4.06Å; Y87-F100 AromaticContact CD2-CD1 3.74Å; Y87-F100 HydrophobicContact CD2-CD1 3.74Å; Y87-F100 HydrophobicContact CD2-CE1 4.21Å; Y87-F100 HydrophobicContact CE1-CB 4.4Å; Y87-F100 AromaticContact CE1-CD1 3.91Å; Y87-F100 HydrophobicContact CE1-CD1 3.91Å; Y87-F100 HydrophobicContact CE1-CG 4.48Å; Y87-F100 AromaticContact CE2-CD1 3.95Å; Y87-F100 HydrophobicContact CE2-CD1 3.95Å; Y87-F100 AromaticContact CG-CD1 3.58Å; Y87-F100 HydrophobicContact CG-CD1 3.58Å; Y87-F100 AromaticContact CG-CE1 3.77Å; Y87-F100 HydrophobicContact CG-CE1 3.77Å; Y87-F100 PolarHBondContact OH-O 3.16Å; E95-F100 HydrophobicContact CB-CE2 4.35Å; E95-F100 HydrophobicContact CB-CZ 4.44Å; E96-F100 VanDerWaalsContact O-CD2 3.3Å; E96-F100 WeakPolarHBondContact O-CD2 3.34Å; A97-F100 WeakPolarHBondContact O-CB 3.44Å; A97-F100 PolarHBondContact O-N 2.6Å; A97-F100 VanDerWaalsContact O-N 3.15Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.34Å; F100-A102 PolarHBondContact O-N 3.01Å; F100-I103 PolarHBondContact O-N 2.91Å; F100-E104 PolarHBondContact O-N 2.9Å; F100-E104 VanDerWaalsContact O-N 3.1Å; F100-Y119 AromaticContact CD1-CE1 3.89Å; F100-Y119 HydrophobicContact CD1-CE1 3.89Å; F100-Y119 HydrophobicContact CE1-CD1 4.2Å; F100-Y119 AromaticContact CE1-CE1 3.86Å; F100-Y119 HydrophobicContact CE1-CE1 3.86Å; F100-H211 AromaticContact CE1-CE1 3.6Å; F100-H211 AromaticContact CE2-CE1 3.79Å; F100-H211 AromaticContact CE2-ND1 3.94Å; F100-H211 AromaticContact CZ-CE1 3.09Å; F100-H211 WeakPolarHBondContact CZ-CE1 3.49Å; F100-H211 AromaticContact CZ-ND1 3.7Å; F100-H211 AromaticContact CZ-NE2 3.56Å
101E92.8Very high90.1Very high149 Ų14954.6 Ų54.670%0.69629%0.285SS*.Hα-helixtrans-62.6-43.6179.1-64.4-177.6-175.700111.3E98 I103 E104 D105E98-E101 PolarHBondContact O-N 2.85Å; E101-I103 PolarHBondContact O-N 2.83Å; E101-E104 PolarHBondContact O-N 2.76Å; E101-D105 WeakPolarHBondContact O-CB 3.33Å; E101-D105 PolarHBondContact O-N 3.42Å
102A93.5Very high90.4Very high26 Ų2654.6 Ų54.622%0.21528%0.284CS..Hα-helixtrans-63.7-39.3178.900000112.9E98 F100 M106E98-A102 VanDerWaalsContact O-CB 3.27Å; E98-A102 WeakPolarHBondContact O-CB 3.4Å; E98-A102 PolarHBondContact O-N 2.73Å; F100-A102 PolarHBondContact O-N 3.01Å; A102-M106 VanDerWaalsContact O-CG 3.27Å; A102-M106 WeakPolarHBondContact O-CG 3.48Å; A102-M106 PolarHBondContact O-N 3.46Å
103I96Very high90.9Very high2 Ų258.8 Ų58.81%0.0131%0.31CS..Hα-helixtrans-64.8-48176.8-76.6165.3000110.4P55 P57 L61 L85 Y87 F99 F100 E101 M106 V107P55-I103 HydrophobicContact CB-CD1 4.14Å; P55-I103 HydrophobicContact CB-CG2 4.31Å; P55-I103 HydrophobicContact CG-CD1 4.31Å; P55-I103 HydrophobicContact CG-CG2 3.62Å; P57-I103 HydrophobicContact CB-CD1 4.2Å; L61-I103 HydrophobicContact CD1-CG1 4.33Å; L61-I103 HydrophobicContact CD1-CG2 4.31Å; L61-I103 HydrophobicContact CD2-CG1 4.06Å; L61-I103 HydrophobicContact CG-CG1 4Å; L85-I103 HydrophobicContact CD1-CG2 4.19Å; Y87-I103 HydrophobicContact CE1-CB 3.97Å; Y87-I103 HydrophobicContact CE1-CD1 4.09Å; Y87-I103 HydrophobicContact CE1-CG2 3.69Å; F99-I103 VanDerWaalsContact O-CB 3.25Å; F99-I103 WeakPolarHBondContact O-CB 3.38Å; F99-I103 VanDerWaalsContact O-CD1 3.28Å; F99-I103 WeakPolarHBondContact O-CD1 3.38Å; F99-I103 WeakPolarHBondContact O-CG1 3.28Å; F99-I103 PolarHBondContact O-N 3.07Å; F100-I103 PolarHBondContact O-N 2.91Å; E101-I103 PolarHBondContact O-N 2.83Å; I103-M106 PolarHBondContact O-N 3.46Å; I103-V107 WeakPolarHBondContact O-CG2 3.45Å; I103-V107 PolarHBondContact O-N 2.93Å
104E96.8Very high91.5Very high51 Ų5154.7 Ų54.724%0.23829%0.291CS..Hα-helixtrans-61.5-45.3178.2-176.8176.1171.300111.4L85 F100 E101 M106 V107 R108 I117L85-E104 HydrophobicContact CD2-CB 4.25Å; L85-E104 HydrophobicContact CD2-CG 4.37Å; F100-E104 PolarHBondContact O-N 2.9Å; F100-E104 VanDerWaalsContact O-N 3.1Å; E101-E104 PolarHBondContact O-N 2.76Å; E104-M106 VanDerWaalsContact C-N 3.3Å; E104-M106 PolarHBondContact O-N 3.09Å; E104-V107 PolarHBondContact O-N 3.05Å; E104-R108 HydrophobicContact CG-CG 4.43Å; E104-R108 WeakPolarHBondContact O-CG 3.14Å; E104-R108 PolarHBondContact O-N 3.13Å; E104-R108 IonicContact OE1-CZ 2.68Å; E104-R108 IonicContact OE1-NE 2.9Å; E104-R108 PolarHBondContact OE1-NE 3.24Å; E104-R108 IonicContact OE1-NH2 3.25Å; E104-R108 PolarHBondContact OE1-NH2 3.41Å; E104-I117 HydrophobicContact CG-CD1 4.23Å; E104-I117 WeakPolarHBondContact OE1-CD1 3.24Å; E104-I117 VanDerWaalsContact OE2-CD1 3.26Å; E104-I117 WeakPolarHBondContact OE2-CD1 3.38Å
105D96.6Very high92.6Very high73 Ų7354.4 Ų54.439%0.3929%0.292SS..Hα-helixtrans-57.2-43.9176.4-17959.6000111.1E101 V107 R108 W109 R308E101-D105 WeakPolarHBondContact O-CB 3.33Å; E101-D105 PolarHBondContact O-N 3.42Å; D105-V107 PolarHBondContact O-N 3.26Å; D105-R108 PolarHBondContact O-N 3.03Å; D105-W109 WeakPolarHBondContact O-CB 3.29Å; D105-W109 PolarHBondContact O-N 2.95Å; D105-R308 IonicContact OD1-NH1 2.76Å; D105-R308 IonicContact OD2-CZ 2.76Å; D105-R308 IonicContact OD2-NH1 2.99Å; D105-R308 PolarHBondContact OD2-NH1 2.93Å
106M97.6Very high93.9Very high5 Ų558.7 Ų58.73%0.02531%0.31CS..Hα-helixtrans-65.9-37.9177-70.5-57.697.100113.2L61 A102 I103 E104 W109 L110 L304 T305L61-M106 HydrophobicContact CD1-CB 3.98Å; A102-M106 VanDerWaalsContact O-CG 3.27Å; A102-M106 WeakPolarHBondContact O-CG 3.48Å; A102-M106 PolarHBondContact O-N 3.46Å; I103-M106 PolarHBondContact O-N 3.46Å; E104-M106 VanDerWaalsContact C-N 3.3Å; E104-M106 PolarHBondContact O-N 3.09Å; M106-W109 HydrophobicContact CE-CB 4.49Å; M106-W109 HydrophobicContact SD-CE3 4.04Å; M106-W109 HydrophobicContact SD-CZ3 4.5Å; M106-L110 WeakPolarHBondContact O-CG 3.35Å; M106-L110 PolarHBondContact O-N 3.03Å; M106-L110 VanDerWaalsContact O-N 3.07Å; M106-L304 HydrophobicContact CB-CD1 4.23Å; M106-L304 HydrophobicContact CG-CB 4.13Å; M106-L304 HydrophobicContact SD-CB 3.69Å; M106-T305 HydrophobicContact CE-CG2 4.23Å; M106-T305 HydrophobicContact CG-CG2 4.49Å; M106-T305 HydrophobicContact SD-CG2 3.96Å
107V98.1Very high95Very high0 Ų055.9 Ų55.90%030%0.298CS..Hα-helixtrans-62.9-44.5174.8171.90000110.4F53 I69 F73 L85 I103 E104 D105 L110 F112 P114F53-V107 HydrophobicContact CD1-CG2 4Å; F53-V107 HydrophobicContact CE1-CG2 4.15Å; I69-V107 HydrophobicContact CD1-CG2 3.84Å; I69-V107 HydrophobicContact CG1-CG2 4.27Å; F73-V107 HydrophobicContact CE1-CG1 4.45Å; F73-V107 HydrophobicContact CE2-CG1 3.98Å; F73-V107 HydrophobicContact CZ-CG1 3.76Å; L85-V107 HydrophobicContact CD1-CG2 4.37Å; I103-V107 WeakPolarHBondContact O-CG2 3.45Å; I103-V107 PolarHBondContact O-N 2.93Å; E104-V107 PolarHBondContact O-N 3.05Å; D105-V107 PolarHBondContact O-N 3.26Å; V107-L110 PolarHBondContact O-N 2.81Å; V107-F112 HydrophobicContact CG1-CB 4.04Å; V107-F112 PolarHBondContact O-N 3.11Å; V107-P114 HydrophobicContact CG1-CG 4.18Å
108R98.2Very high95.9Very high110 Ų11052.8 Ų52.842%0.41527%0.271SS..Hα-helixtrans-69.7-40.1178.7-68.9-178.4-177-72.6-1.2112.6E104 D105 L110 G111 F112E104-R108 HydrophobicContact CG-CG 4.43Å; E104-R108 WeakPolarHBondContact O-CG 3.14Å; E104-R108 PolarHBondContact O-N 3.13Å; E104-R108 IonicContact OE1-CZ 2.68Å; E104-R108 IonicContact OE1-NE 2.9Å; E104-R108 PolarHBondContact OE1-NE 3.24Å; E104-R108 IonicContact OE1-NH2 3.25Å; E104-R108 PolarHBondContact OE1-NH2 3.41Å; D105-R108 PolarHBondContact O-N 3.03Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.03Å; R108-G111 WeakPolarHBondContact O-CA 2.94Å; R108-G111 PolarHBondContact O-N 2.62Å; R108-F112 WeakPolarHBondContact CA-O 3.27Å
109W97.9Very high96.5Very high39 Ų3948.4 Ų48.415%0.14825%0.249CC..Hα-helixtrans-60.5-39.6176.1171.169.1000111.8D105 M106 G111 L304 R308 F312 P314 I317D105-W109 WeakPolarHBondContact O-CB 3.29Å; D105-W109 PolarHBondContact O-N 2.95Å; M106-W109 HydrophobicContact CE-CB 4.49Å; M106-W109 HydrophobicContact SD-CE3 4.04Å; M106-W109 HydrophobicContact SD-CZ3 4.5Å; W109-G111 PolarHBondContact O-N 3.32Å; W109-G111 VanDerWaalsContact O-N 3.08Å; W109-L304 HydrophobicContact CZ3-CB 4.39Å; W109-R308 HydrophobicContact CD2-CB 4.47Å; W109-R308 HydrophobicContact CD2-CG 4.38Å; W109-R308 HydrophobicContact CH2-CB 3.78Å; W109-R308 HydrophobicContact CH2-CG 4.48Å; W109-R308 HydrophobicContact CZ2-CB 3.52Å; W109-R308 HydrophobicContact CZ2-CG 3.76Å; W109-R308 HydrophobicContact CZ3-CB 4.39Å; W109-F312 WeakPolarHBondContact CZ2-O 3.5Å; W109-P314 HydrophobicContact CD2-CB 4.28Å; W109-P314 HydrophobicContact CZ2-CB 4.27Å; W109-P314 WeakPolarHBondContact O-CB 3.32Å; W109-P314 VanDerWaalsContact O-CG 3.31Å; W109-P314 WeakPolarHBondContact O-CG 3.15Å; W109-I317 HydrophobicContact CH2-CD1 3.45Å; W109-I317 VanDerWaalsContact CH2-CD1 3.45Å; W109-I317 HydrophobicContact CZ2-CD1 4.47Å; W109-I317 HydrophobicContact CZ3-CD1 3.91Å
110L98.1Very high96.8Very high1 Ų147.7 Ų47.71%0.00525%0.246CC..THydrogen-bonded Turntrans-67.2-1.3171.5-71.3176.3000113.7A66 I69 M106 V107 R108 F112 L304 P314 I317 N318A66-L110 HydrophobicContact CB-CD1 4Å; I69-L110 HydrophobicContact CB-CD1 4.4Å; I69-L110 HydrophobicContact CD1-CD1 3.89Å; I69-L110 HydrophobicContact CG2-CD1 4.2Å; M106-L110 WeakPolarHBondContact O-CG 3.35Å; M106-L110 PolarHBondContact O-N 3.03Å; M106-L110 VanDerWaalsContact O-N 3.07Å; V107-L110 PolarHBondContact O-N 2.81Å; R108-L110 VanDerWaalsContact C-N 3.3Å; R108-L110 PolarHBondContact O-N 3.03Å; L110-F112 HydrophobicContact CB-CD2 3.77Å; L110-F112 HydrophobicContact CB-CE2 4.02Å; L110-L304 HydrophobicContact CD1-CD1 4.06Å; L110-P314 HydrophobicContact CD2-CB 4.26Å; L110-I317 HydrophobicContact CD2-CB 4.19Å; L110-I317 HydrophobicContact CD2-CD1 4.46Å; L110-I317 HydrophobicContact CD2-CG2 3.94Å; L110-N318 PolarHBondContact O-ND2 2.95Å
111G97.5Very high97Very high63 Ų6347 Ų4765%0.64924%0.244SC*.THydrogen-bonded Turntrans86.616.5176.400000114.3R108 W109R108-G111 WeakPolarHBondContact O-CA 2.94Å; R108-G111 PolarHBondContact O-N 2.62Å; W109-G111 PolarHBondContact O-N 3.32Å; W109-G111 VanDerWaalsContact O-N 3.08Å
112F97.7Very high97.2Very high24 Ų2444.1 Ų44.111%0.10523%0.233CC..  trans-104147.4177.8-60.6-73.2000111.5I69 N70 F73 V107 R108 L110I69-F112 HydrophobicContact CG2-CD2 3.4Å; I69-F112 VanDerWaalsContact CG2-CD2 3.4Å; I69-F112 HydrophobicContact CG2-CE2 3.81Å; I69-F112 HydrophobicContact CG2-CG 4.09Å; N70-F112 HydrophobicContact CB-CZ 4.48Å; F73-F112 HydrophobicContact CB-CB 4.28Å; F73-F112 HydrophobicContact CB-CD1 3.28Å; F73-F112 HydrophobicContact CB-CE1 3.66Å; F73-F112 HydrophobicContact CB-CG 3.82Å; F73-F112 HydrophobicContact CB-CZ 4.49Å; F73-F112 HydrophobicContact CD1-CB 3.77Å; F73-F112 HydrophobicContact CD1-CD1 4.2Å; F73-F112 HydrophobicContact CD1-CG 4.25Å; F73-F112 HydrophobicContact CD2-CB 4.31Å; F73-F112 HydrophobicContact CD2-CG 4.4Å; F73-F112 HydrophobicContact CE1-CB 4.11Å; F73-F112 HydrophobicContact CG-CB 3.87Å; F73-F112 AromaticContact CG-CD1 3.85Å; F73-F112 HydrophobicContact CG-CD1 3.85Å; F73-F112 AromaticContact CG-CG 3.92Å; F73-F112 HydrophobicContact CG-CG 3.92Å; V107-F112 HydrophobicContact CG1-CB 4.04Å; V107-F112 PolarHBondContact O-N 3.11Å; R108-F112 WeakPolarHBondContact CA-O 3.27Å; L110-F112 HydrophobicContact CB-CD2 3.77Å; L110-F112 HydrophobicContact CB-CE2 4.02Å
113T97.5Very high97.4Very high101 Ų10144.1 Ų44.162%0.6223%0.229SC*.  trans-123.7117.2176.2-60.30000109
114P98.1Very high97.5Very high13 Ų1344.1 Ų44.18%0.08423%0.229CC..  trans-57.8136.4172.8-22.533.3000111.2F73 L85 V107 K116 I117F73-P114 HydrophobicContact CE1-CG 4.47Å; F73-P114 HydrophobicContact CZ-CG 4.23Å; L85-P114 HydrophobicContact CB-CB 3.72Å; L85-P114 HydrophobicContact CB-CG 3.69Å; L85-P114 HydrophobicContact CD2-CG 3.92Å; L85-P114 HydrophobicContact CG-CG 4.47Å; V107-P114 HydrophobicContact CG1-CG 4.18Å; P114-K116 VanDerWaalsContact C-N 3.33Å; P114-I117 HydrophobicContact CB-CG1 4.14Å; P114-I117 HydrophobicContact CG-CG1 4.43Å
115H97.8Very high97.6Very high108 Ų10845.7 Ų45.750%0.524%0.237SC..SBendtrans-64.3-43.9169.2169.474.6000110.6I82 T83I82-H115 HydrophobicContact CB-CB 3.83Å; I82-H115 HydrophobicContact CG2-CB 4.22Å; T83-H115 WeakPolarHBondContact O-CB 3.41Å; T83-H115 PolarHBondContact O-N 3.29Å
116K97.7Very high97.7Very high116 Ų11645.5 Ų45.550%0.50423%0.233SC..EExtended strand (participates in β ladder)trans-147.2145.2175.5-165.7176.4179.6-176.50109.3Y84 L85 P114 T118Y84-K116 WeakPolarHBondContact CA-O 3.33Å; Y84-K116 HydrophobicContact CD1-CB 3.97Å; Y84-K116 HydrophobicContact CE1-CB 3.89Å; Y84-K116 HydrophobicContact CE1-CD 4.05Å; Y84-K116 HydrophobicContact CE1-CG 4.46Å; L85-K116 PolarHBondContact N-O 3.33Å; P114-K116 VanDerWaalsContact C-N 3.33Å; K116-T118 HydrophobicContact CB-CG2 4.47Å; K116-T118 HydrophobicContact CD-CG2 3.78Å; K116-T118 HydrophobicContact CG-CG2 3.88Å
117I98.1Very high97.7Very high46 Ų4645.3 Ų45.324%0.23623%0.232CC..EExtended strand (participates in β ladder)trans-99.3123.2168.2-57.2179.1000107L85 Y87 E104 P114 Y119L85-I117 HydrophobicContact CB-CG1 4.34Å; L85-I117 HydrophobicContact CD2-CD1 4.44Å; L85-I117 HydrophobicContact CD2-CG1 4.36Å; L85-I117 VanDerWaalsContact O-CA 3.3Å; L85-I117 WeakPolarHBondContact O-CA 3.42Å; Y87-I117 HydrophobicContact CD2-CG2 3.99Å; Y87-I117 HydrophobicContact CE2-CG2 3.59Å; E104-I117 HydrophobicContact CG-CD1 4.23Å; E104-I117 WeakPolarHBondContact OE1-CD1 3.24Å; E104-I117 VanDerWaalsContact OE2-CD1 3.26Å; E104-I117 WeakPolarHBondContact OE2-CD1 3.38Å; P114-I117 HydrophobicContact CB-CG1 4.14Å; P114-I117 HydrophobicContact CG-CG1 4.43Å; I117-Y119 HydrophobicContact CG2-CE2 4.06Å
118T97.8Very high97.8Very high9 Ų945.7 Ų45.76%0.05523%0.234CC..EExtended strand (participates in β ladder)trans-131166.3-17854.50000110.5Y84 L85 R86 Y87 K116 E234Y84-T118 HydrophobicContact CD1-CG2 3.81Å; Y84-T118 HydrophobicContact CE1-CG2 4.07Å; L85-T118 PolarHBondContact O-N 3.35Å; R86-T118 CarbonylContact C-O 3.6Å; R86-T118 WeakPolarHBondContact CA-O 3.4Å; R86-T118 WeakPolarHBondContact CB-OG1 3.38Å; Y87-T118 PolarHBondContact N-O 3.27Å; K116-T118 HydrophobicContact CB-CG2 4.47Å; K116-T118 HydrophobicContact CD-CG2 3.78Å; K116-T118 HydrophobicContact CG-CG2 3.88Å; T118-E234 VanDerWaalsContact CB-OE1 3.24Å; T118-E234 WeakPolarHBondContact CB-OE1 3.34Å; T118-E234 PolarHBondContact OG1-OE1 3.1Å
119Y97Very high97.8Very high47 Ų4744.5 Ų44.518%0.18423%0.233CC..EExtended strand (participates in β ladder)trans-130.6140.7-177.5-58.8-101.5000108.7Y87 F100 I117 S121 D122 R212Y87-Y119 AromaticContact CD2-CD1 3.87Å; Y87-Y119 HydrophobicContact CD2-CD1 3.87Å; Y87-Y119 AromaticContact CD2-CE1 3.39Å; Y87-Y119 HydrophobicContact CD2-CE1 3.39Å; Y87-Y119 AromaticContact CD2-CZ 3.76Å; Y87-Y119 HydrophobicContact CE2-CE1 4.14Å; Y87-Y119 HydrophobicContact CG-CD1 4.26Å; Y87-Y119 HydrophobicContact CG-CE1 4.09Å; F100-Y119 AromaticContact CD1-CE1 3.89Å; F100-Y119 HydrophobicContact CD1-CE1 3.89Å; F100-Y119 HydrophobicContact CE1-CD1 4.2Å; F100-Y119 AromaticContact CE1-CE1 3.86Å; F100-Y119 HydrophobicContact CE1-CE1 3.86Å; I117-Y119 HydrophobicContact CG2-CE2 4.06Å; Y119-S121 PolarHBondContact O-N 2.87Å; Y119-D122 PolarHBondContact N-OD2 2.9Å; Y119-D122 WeakPolarHBondContact O-CB 3.34Å; Y119-D122 PolarHBondContact O-N 3.43Å; Y119-R212 VanDerWaalsContact CD1-CD 3.48Å; Y119-R212 VanDerWaalsContact CD1-NH1 3.34Å; Y119-R212 VanDerWaalsContact CG-NH1 3.26Å
120A96.9Very high97.8Very high0 Ų044.2 Ų44.20%023%0.232CC..G310 helixtrans-61-33171.600000111Y87 D89 T90 D122 N123 T226Y87-A120 PolarHBondContact O-N 2.75Å; D89-A120 WeakPolarHBondContact OD1-CA 3.46Å; D89-A120 WeakPolarHBondContact OD1-CB 3.26Å; D89-A120 PolarHBondContact OD1-N 3.33Å; T90-A120 HydrophobicContact CG2-CB 3.82Å; A120-D122 VanDerWaalsContact C-N 3.27Å; A120-D122 PolarHBondContact O-N 2.87Å; A120-N123 PolarHBondContact O-N 3.39Å; A120-T226 HydrophobicContact CB-CG2 3.79Å
121S96.1Very high97.9Very high5 Ų544.1 Ų44.14%0.03523%0.231CC..G310 helixtrans-63.6-25.6176.364.80000115.2D89 Y119 N123 F124 H210 R212D89-S121 PolarHBondContact OD1-N 2.81Å; D89-S121 VanDerWaalsContact OD2-CB 3.24Å; D89-S121 WeakPolarHBondContact OD2-CB 3.41Å; D89-S121 PolarHBondContact OD2-OG 3.47Å; Y119-S121 PolarHBondContact O-N 2.87Å; S121-N123 PolarHBondContact O-N 3.07Å; S121-N123 VanDerWaalsContact O-N 3.08Å; S121-F124 VanDerWaalsContact CA-CE1 3.46Å; S121-F124 PolarHBondContact O-N 3.12Å; S121-H210 WeakPolarHBondContact CB-CE1 3.46Å; S121-R212 WeakPolarHBondContact OG-CD 3.32Å; S121-R212 PolarHBondContact OG-NE 2.97Å
122D96.9Very high97.9Very high88 Ų8842.8 Ų42.847%0.47121%0.209SC..G310 helixtrans-59.9-23172.5-66.3-26.4000111.8Y119 A120 R212Y119-D122 PolarHBondContact N-OD2 2.9Å; Y119-D122 WeakPolarHBondContact O-CB 3.34Å; Y119-D122 PolarHBondContact O-N 3.43Å; A120-D122 VanDerWaalsContact C-N 3.27Å; A120-D122 PolarHBondContact O-N 2.87Å; D122-R212 IonicContact OD1-CZ 3.67Å; D122-R212 IonicContact OD1-NE 3.85Å; D122-R212 IonicContact OD1-NH2 3.65Å; D122-R212 PolarHBondContact OD1-NH2 3.05Å; D122-R212 IonicContact OD2-NH2 3.46Å
123N98Very high98Very high25 Ų2545.6 Ų45.613%0.13422%0.221CC..G310 helixtrans-103.84.4-175.8-59.1-62.1000113.5A120 S121 Q125 Q126 L127 I233A120-N123 PolarHBondContact O-N 3.39Å; S121-N123 PolarHBondContact O-N 3.07Å; S121-N123 VanDerWaalsContact O-N 3.08Å; N123-Q125 VanDerWaalsContact C-N 3.27Å; N123-Q125 PolarHBondContact O-N 3.4Å; N123-Q126 PolarHBondContact O-N 3.27Å; N123-L127 HydrophobicContact CB-CD1 4.16Å; N123-L127 HydrophobicContact CB-CG 4.24Å; N123-L127 WeakPolarHBondContact O-CB 3.49Å; N123-L127 WeakPolarHBondContact O-CG 3.48Å; N123-L127 PolarHBondContact O-N 3.2Å; N123-I233 HydrophobicContact CB-CD1 3.9Å
124F98.2Very high98Very high3 Ų340.8 Ų40.81%0.01319%0.192CC..Hα-helixtrans-54.1-41-176-78.4-4.3000113.6D89 T90 S121 L127 Y128 H210 T213 W217 Y220 P221D89-F124 WeakPolarHBondContact O-CZ 3.49Å; T90-F124 HydrophobicContact CG2-CE1 4.3Å; S121-F124 VanDerWaalsContact CA-CE1 3.46Å; S121-F124 PolarHBondContact O-N 3.12Å; F124-L127 HydrophobicContact CD1-CD1 4.22Å; F124-L127 PolarHBondContact O-N 3.47Å; F124-Y128 WeakPolarHBondContact O-CB 3.45Å; F124-Y128 PolarHBondContact O-N 2.99Å; F124-H210 AromaticContact CZ-NE2 3.91Å; F124-T213 HydrophobicContact CD2-CG2 4.12Å; F124-T213 HydrophobicContact CE2-CG2 4.45Å; F124-W217 HydrophobicContact CB-CD2 4.29Å; F124-W217 HydrophobicContact CB-CZ2 4.21Å; F124-W217 AromaticContact CD2-CD1 3.83Å; F124-W217 HydrophobicContact CD2-CG 4.11Å; F124-Y220 AromaticContact CE2-CD1 3.88Å; F124-Y220 HydrophobicContact CE2-CD1 3.88Å; F124-Y220 AromaticContact CE2-CE1 3.93Å; F124-Y220 HydrophobicContact CE2-CE1 3.93Å; F124-Y220 AromaticContact CZ-CD1 4Å; F124-Y220 HydrophobicContact CZ-CD1 4Å; F124-Y220 HydrophobicContact CZ-CE1 4.42Å; F124-P221 HydrophobicContact CD1-CG 4.2Å; F124-P221 HydrophobicContact CE1-CG 4.09Å
125Q98.1Very high98Very high84 Ų8440.2 Ų40.239%0.39319%0.188SC..Hα-helixtrans-62-48.9176.1179.75738.800112N123 L127 Y128 E129 W217N123-Q125 VanDerWaalsContact C-N 3.27Å; N123-Q125 PolarHBondContact O-N 3.4Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 2.74Å; Q125-Y128 WeakPolarHBondContact O-CB 3.17Å; Q125-Y128 PolarHBondContact O-N 2.84Å; Q125-E129 PolarHBondContact NE2-OE1 3.04Å; Q125-E129 WeakPolarHBondContact O-CG 3.32Å; Q125-E129 PolarHBondContact O-N 3.43Å; Q125-W217 HydrophobicContact CB-CH2 4.42Å; Q125-W217 HydrophobicContact CB-CZ2 4.05Å; Q125-W217 VanDerWaalsContact OE1-CH2 3.26Å
126Q98.5Very high98.1Very high69 Ų6941.1 Ų41.132%0.32219%0.19SC..Hα-helixtrans-66.3-38.3179.5-174.660.887.100111.8N123 Y128 E129 W130 I233N123-Q126 PolarHBondContact O-N 3.27Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 PolarHBondContact O-N 2.98Å; Q126-E129 PolarHBondContact NE2-OE2 3.15Å; Q126-E129 PolarHBondContact O-N 3.47Å; Q126-W130 HydrophobicContact CG-CD2 4.15Å; Q126-W130 HydrophobicContact CG-CE3 4.31Å; Q126-W130 HydrophobicContact CG-CH2 4.2Å; Q126-W130 HydrophobicContact CG-CZ2 3.97Å; Q126-W130 HydrophobicContact CG-CZ3 4.33Å; Q126-W130 PolarHBondContact O-N 3.08Å; Q126-I233 HydrophobicContact CB-CD1 4.45Å; Q126-I233 HydrophobicContact CG-CD1 4.16Å
127L98.6Very high98.1Very high0 Ų039.7 Ų39.70%019%0.188CC..Hα-helixtrans-61.4-39.4175.2-70.1170.7000111.3N123 F124 Q125 W130 A131 Y203 P221 Y225 T226 L229N123-L127 HydrophobicContact CB-CD1 4.16Å; N123-L127 HydrophobicContact CB-CG 4.24Å; N123-L127 WeakPolarHBondContact O-CB 3.49Å; N123-L127 WeakPolarHBondContact O-CG 3.48Å; N123-L127 PolarHBondContact O-N 3.2Å; F124-L127 HydrophobicContact CD1-CD1 4.22Å; F124-L127 PolarHBondContact O-N 3.47Å; Q125-L127 VanDerWaalsContact C-N 3.34Å; Q125-L127 PolarHBondContact O-N 2.74Å; L127-W130 PolarHBondContact O-N 3.39Å; L127-A131 PolarHBondContact O-N 3.4Å; L127-Y203 VanDerWaalsContact CB-OH 3.27Å; L127-Y203 WeakPolarHBondContact CB-OH 3.4Å; L127-Y203 PolarHBondContact O-OH 3.27Å; L127-P221 HydrophobicContact CD1-CG 4.09Å; L127-Y225 HydrophobicContact CB-CE1 4.08Å; L127-Y225 HydrophobicContact CD2-CD1 4.39Å; L127-Y225 HydrophobicContact CD2-CE1 4.03Å; L127-Y225 PolarHBondContact O-OH 2.95Å; L127-T226 HydrophobicContact CD1-CG2 3.79Å; L127-L229 HydrophobicContact CD2-CB 3.48Å; L127-L229 VanDerWaalsContact CD2-CB 3.48Å; L127-L229 HydrophobicContact CD2-CD1 3.71Å; L127-L229 HydrophobicContact CD2-CG 4.22Å
128Y98.6Very high98Very high8 Ų844.3 Ų44.33%0.03121%0.206CC..Hα-helixtrans-65.4-45.5174.7176.2-105.2000111.9F124 Q125 Q126 W130 A131 I132 F172 E173 K176 Y203 W217 I219F124-Y128 WeakPolarHBondContact O-CB 3.45Å; F124-Y128 PolarHBondContact O-N 2.99Å; Q125-Y128 WeakPolarHBondContact O-CB 3.17Å; Q125-Y128 PolarHBondContact O-N 2.84Å; Q126-Y128 VanDerWaalsContact C-N 3.3Å; Q126-Y128 PolarHBondContact O-N 2.98Å; Y128-W130 VanDerWaalsContact C-N 3.3Å; Y128-W130 PolarHBondContact O-N 3.15Å; Y128-A131 WeakPolarHBondContact O-CB 3.48Å; Y128-A131 PolarHBondContact O-N 2.88Å; Y128-A131 VanDerWaalsContact O-N 3.09Å; Y128-I132 HydrophobicContact CD1-CD1 3.91Å; Y128-I132 HydrophobicContact CE1-CD1 3.32Å; Y128-I132 HydrophobicContact CE1-CG1 4.25Å; Y128-I132 HydrophobicContact CE2-CD1 4.47Å; Y128-I132 PolarHBondContact O-N 3.28Å; Y128-F172 HydrophobicContact CD2-CD1 4.25Å; Y128-F172 AromaticContact CD2-CE1 3.36Å; Y128-F172 HydrophobicContact CD2-CE1 3.36Å; Y128-F172 AromaticContact CD2-CZ 3.67Å; Y128-F172 HydrophobicContact CD2-CZ 3.67Å; Y128-F172 AromaticContact CE2-CD1 3.59Å; Y128-F172 HydrophobicContact CE2-CD1 3.59Å; Y128-F172 AromaticContact CE2-CE1 3.16Å; Y128-F172 HydrophobicContact CE2-CE1 3.16Å; Y128-F172 HydrophobicContact CE2-CG 4.49Å; Y128-F172 AromaticContact CE2-CZ 3.75Å; Y128-F172 HydrophobicContact CE2-CZ 3.75Å; Y128-F172 HydrophobicContact CG-CE1 4.43Å; Y128-E173 PolarHBondContact OH-OE2 2.7Å; Y128-K176 HydrophobicContact CD1-CD 4.35Å; Y128-K176 HydrophobicContact CD2-CD 4.18Å; Y128-K176 HydrophobicContact CE1-CD 3.8Å; Y128-K176 HydrophobicContact CE2-CB 4.15Å; Y128-K176 HydrophobicContact CE2-CD 3.63Å; Y128-K176 HydrophobicContact CE2-CG 4.32Å; Y128-K176 VanDerWaalsContact CZ-CD 3.43Å; Y128-Y203 PolarHBondContact N-OH 2.52Å; Y128-Y203 VanDerWaalsContact N-OH 3.11Å; Y128-W217 HydrophobicContact CD1-CH2 4.28Å; Y128-W217 HydrophobicContact CD1-CZ3 4.28Å; Y128-W217 HydrophobicContact CD2-CZ3 4Å; Y128-W217 HydrophobicContact CG-CH2 4.02Å; Y128-W217 AromaticContact CG-CZ3 3.73Å; Y128-W217 HydrophobicContact CG-CZ3 3.73Å; Y128-I219 HydrophobicContact CD2-CD1 3.99Å; Y128-I219 HydrophobicContact CE2-CD1 3.99Å
129E98.7Very high98Very high86 Ų8646 Ų4640%0.40222%0.215SC..Hα-helixtrans-61.6-38.4176.3-72.1171.4-168.500112.6Q125 Q126 A131 I132 K133Q125-E129 PolarHBondContact NE2-OE1 3.04Å; Q125-E129 WeakPolarHBondContact O-CG 3.32Å; Q125-E129 PolarHBondContact O-N 3.43Å; Q126-E129 PolarHBondContact NE2-OE2 3.15Å; Q126-E129 PolarHBondContact O-N 3.47Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-I132 WeakPolarHBondContact O-CB 3.36Å; E129-I132 PolarHBondContact O-N 3.02Å; E129-K133 PolarHBondContact O-N 3.2Å
130W98.7Very high98.1Very high32 Ų3244 Ų4412%0.12121%0.208CC..Hα-helixtrans-68.4-33.1173.7-76.1-10.1000112.5Q126 L127 Y128 K133 L134 L229 I233 L259 I261Q126-W130 HydrophobicContact CG-CD2 4.15Å; Q126-W130 HydrophobicContact CG-CE3 4.31Å; Q126-W130 HydrophobicContact CG-CH2 4.2Å; Q126-W130 HydrophobicContact CG-CZ2 3.97Å; Q126-W130 HydrophobicContact CG-CZ3 4.33Å; Q126-W130 PolarHBondContact O-N 3.08Å; L127-W130 PolarHBondContact O-N 3.39Å; Y128-W130 VanDerWaalsContact C-N 3.3Å; Y128-W130 PolarHBondContact O-N 3.15Å; W130-K133 WeakPolarHBondContact O-CB 2.97Å; W130-K133 PolarHBondContact O-N 3.3Å; W130-L134 WeakPolarHBondContact O-CG 3.49Å; W130-L134 PolarHBondContact O-N 3.34Å; W130-L229 HydrophobicContact CE3-CB 3.94Å; W130-L229 HydrophobicContact CE3-CD1 4Å; W130-L229 HydrophobicContact CE3-CD2 4.02Å; W130-L229 HydrophobicContact CE3-CG 4.18Å; W130-L229 HydrophobicContact CZ3-CB 3.76Å; W130-L229 HydrophobicContact CZ3-CD2 4.16Å; W130-L229 HydrophobicContact CZ3-CG 4.38Å; W130-I233 HydrophobicContact CH2-CD1 3.9Å; W130-I233 HydrophobicContact CH2-CG1 3.52Å; W130-I233 HydrophobicContact CZ3-CD1 3.74Å; W130-I233 HydrophobicContact CZ3-CG1 3.8Å; W130-L259 HydrophobicContact CB-CD1 3.75Å; W130-L259 HydrophobicContact CB-CD2 3.71Å; W130-L259 HydrophobicContact CB-CG 4.39Å; W130-L259 HydrophobicContact CD2-CD1 4Å; W130-L259 HydrophobicContact CE3-CD1 4.16Å; W130-L259 HydrophobicContact CG-CD1 3.86Å; W130-L259 HydrophobicContact CG-CD2 3.9Å; W130-L259 HydrophobicContact CG-CG 4.44Å; W130-L259 WeakPolarHBondContact O-CD2 3.36Å; W130-I261 HydrophobicContact CE3-CD1 4.17Å; W130-I261 HydrophobicContact CH2-CD1 3.57Å; W130-I261 HydrophobicContact CH2-CG2 4.36Å; W130-I261 HydrophobicContact CZ2-CD1 4Å; W130-I261 HydrophobicContact CZ2-CG2 3.79Å; W130-I261 HydrophobicContact CZ3-CD1 3.68Å
131A98.7Very high98.2Very high0 Ų044.2 Ų44.20%021%0.209CC..Hα-helixtrans-64.8-43.9173.400000110.6L127 Y128 E129 K133 L134 I135 F172 L187 Y203 Y225L127-A131 PolarHBondContact O-N 3.4Å; Y128-A131 WeakPolarHBondContact O-CB 3.48Å; Y128-A131 PolarHBondContact O-N 2.88Å; Y128-A131 VanDerWaalsContact O-N 3.09Å; E129-A131 VanDerWaalsContact C-N 3.34Å; A131-K133 VanDerWaalsContact C-N 3.29Å; A131-K133 PolarHBondContact O-N 3.03Å; A131-L134 PolarHBondContact O-N 3.45Å; A131-I135 WeakPolarHBondContact O-CG1 3.5Å; A131-I135 PolarHBondContact O-N 2.86Å; A131-F172 HydrophobicContact CB-CE1 3.58Å; A131-F172 HydrophobicContact CB-CZ 3.69Å; A131-L187 HydrophobicContact CB-CD2 3.6Å; A131-Y203 HydrophobicContact CB-CD2 4.26Å; A131-Y203 HydrophobicContact CB-CE2 3.86Å; A131-Y225 VanDerWaalsContact CA-OH 3.29Å; A131-Y225 WeakPolarHBondContact CA-OH 3.46Å; A131-Y225 WeakPolarHBondContact CB-OH 3.39Å; A131-Y225 PolarHBondContact N-OH 3.26Å
132I98.7Very high98.3Very high35 Ų3544 Ų4418%0.17921%0.207CC..Hα-helixtrans-56.2-44.8171.3-71.1171.8000110.9Y128 E129 I135 K136 L169 F172Y128-I132 HydrophobicContact CD1-CD1 3.91Å; Y128-I132 HydrophobicContact CE1-CD1 3.32Å; Y128-I132 HydrophobicContact CE1-CG1 4.25Å; Y128-I132 HydrophobicContact CE2-CD1 4.47Å; Y128-I132 PolarHBondContact O-N 3.28Å; E129-I132 WeakPolarHBondContact O-CB 3.36Å; E129-I132 PolarHBondContact O-N 3.02Å; I132-I135 PolarHBondContact O-N 2.95Å; I132-K136 HydrophobicContact CG2-CD 4.13Å; I132-K136 WeakPolarHBondContact O-CG 3.43Å; I132-K136 PolarHBondContact O-N 3.21Å; I132-L169 HydrophobicContact CB-CD2 4.39Å; I132-L169 HydrophobicContact CG1-CD2 4.46Å; I132-L169 HydrophobicContact CG2-CD2 3.83Å; I132-F172 HydrophobicContact CG1-CD1 4.27Å; I132-F172 HydrophobicContact CG1-CE1 4.4Å
133K98.5Very high98.3Very high82 Ų8239.8 Ų39.836%0.35719%0.185SC..Hα-helixtrans-61.7-43.8178.8-175.8174.9177.4-175.70111.6E129 W130 A131 I135 K136 L137 L259E129-K133 PolarHBondContact O-N 3.2Å; W130-K133 WeakPolarHBondContact O-CB 2.97Å; W130-K133 PolarHBondContact O-N 3.3Å; A131-K133 VanDerWaalsContact C-N 3.29Å; A131-K133 PolarHBondContact O-N 3.03Å; K133-I135 VanDerWaalsContact C-N 3.33Å; K133-I135 PolarHBondContact O-N 2.97Å; K133-K136 PolarHBondContact O-N 3.25Å; K133-L137 HydrophobicContact CG-CD1 4.1Å; K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.35Å; K133-L137 PolarHBondContact O-N 2.68Å; K133-L259 HydrophobicContact CB-CD2 4.07Å; K133-L259 HydrophobicContact CD-CD2 3.89Å; K133-L259 HydrophobicContact CG-CD2 4.12Å; K133-L259 PolarHBondContact NZ-O 2.77Å
134L98.5Very high98.2Very high1 Ų141.6 Ų41.61%0.00519%0.192CC..Hα-helixtrans-61.3-40.5175.7-70171.5000112W130 A131 L137 K138 L139 A140 Y225 W254 L255 L259W130-L134 WeakPolarHBondContact O-CG 3.49Å; W130-L134 PolarHBondContact O-N 3.34Å; A131-L134 PolarHBondContact O-N 3.45Å; L134-L137 CarbonylContact O-C 3.55Å; L134-L137 PolarHBondContact O-N 2.9Å; L134-K138 PolarHBondContact O-N 3.01Å; L134-L139 HydrophobicContact CB-CB 4.38Å; L134-L139 HydrophobicContact CD2-CB 4Å; L134-L139 HydrophobicContact CD2-CD1 4.22Å; L134-L139 WeakPolarHBondContact O-CA 3.21Å; L134-L139 PolarHBondContact O-N 3.28Å; L134-A140 HydrophobicContact CB-CB 3.75Å; L134-A140 PolarHBondContact O-N 3.35Å; L134-Y225 HydrophobicContact CD1-CE2 3.78Å; L134-W254 HydrophobicContact CD2-CH2 4.48Å; L134-L255 HydrophobicContact CD1-CD2 3.9Å; L134-L259 HydrophobicContact CD2-CD2 4.02Å; L134-L259 HydrophobicContact CD2-CG 4.05Å; L134-L259 HydrophobicContact CG-CD2 3.86Å; L134-L259 HydrophobicContact CG-CG 4.24Å
135I98.6Very high98Very high1 Ų141.8 Ų41.81%0.00519%0.193CC..Hα-helixtrans-60.2-47.4175-63.1165.5000110.4A131 I132 K133 L137 K138 A140 I165 S168 L169 F172 L187A131-I135 WeakPolarHBondContact O-CG1 3.5Å; A131-I135 PolarHBondContact O-N 2.86Å; I132-I135 PolarHBondContact O-N 2.95Å; K133-I135 VanDerWaalsContact C-N 3.33Å; K133-I135 PolarHBondContact O-N 2.97Å; I135-L137 PolarHBondContact O-N 2.81Å; I135-K138 PolarHBondContact O-N 3.36Å; I135-A140 WeakPolarHBondContact CA-O 3.46Å; I135-A140 HydrophobicContact CG1-CB 3.98Å; I135-I165 HydrophobicContact CG2-CG2 4.24Å; I135-S168 VanDerWaalsContact CG2-CB 3.49Å; I135-L169 HydrophobicContact CB-CD2 3.95Å; I135-L169 HydrophobicContact CB-CG 4.48Å; I135-L169 HydrophobicContact CD1-CD2 4.16Å; I135-L169 HydrophobicContact CG2-CD2 3.78Å; I135-L169 HydrophobicContact CG2-CG 3.76Å; I135-F172 HydrophobicContact CD1-CB 3.9Å; I135-F172 HydrophobicContact CD1-CD1 3.83Å; I135-F172 HydrophobicContact CD1-CG 3.98Å; I135-L187 HydrophobicContact CD1-CD1 3.67Å; I135-L187 HydrophobicContact CG1-CD1 3.83Å
136K98.5Very high97.6Very high127 Ų12739.2 Ų39.255%0.55219%0.186SC*.Hα-helixtrans-60.8-31.1177.4-70.9174.9178.7177.30113I132 K133 K138 L169I132-K136 HydrophobicContact CG2-CD 4.13Å; I132-K136 WeakPolarHBondContact O-CG 3.43Å; I132-K136 PolarHBondContact O-N 3.21Å; K133-K136 PolarHBondContact O-N 3.25Å; K136-K138 PolarHBondContact O-N 2.73Å; K136-L169 HydrophobicContact CG-CD1 4.14Å; K136-L169 HydrophobicContact CG-CD2 4.42Å
137L97.7Very high97Very high86 Ų8638.4 Ų38.445%0.4519%0.186SC..THydrogen-bonded Turntrans-81.42.8175.5-66.6172.1000113.5K133 L134 I135 L139 S258K133-L137 HydrophobicContact CG-CD1 4.1Å; K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.35Å; K133-L137 PolarHBondContact O-N 2.68Å; L134-L137 CarbonylContact O-C 3.55Å; L134-L137 PolarHBondContact O-N 2.9Å; I135-L137 PolarHBondContact O-N 2.81Å; L137-L139 HydrophobicContact CB-CB 4.37Å; L137-L139 HydrophobicContact CB-CD1 3.92Å; L137-L139 HydrophobicContact CB-CG 3.91Å; L137-L139 HydrophobicContact CD1-CD1 4.3Å; L137-L139 PolarHBondContact O-N 2.9Å; L137-S258 WeakPolarHBondContact CD1-O 3.33Å
138K97.6Very high96.4Very high142 Ų14244.8 Ų44.862%0.61722%0.216SC*.THydrogen-bonded Turntrans58.427.8-170.9-55.5-177.7177.4-177.70113L134 I135 K136 I165 K190L134-K138 PolarHBondContact O-N 3.01Å; I135-K138 PolarHBondContact O-N 3.36Å; K136-K138 PolarHBondContact O-N 2.73Å; K138-I165 HydrophobicContact CD-CD1 4.27Å; K138-I165 HydrophobicContact CG-CD1 3.63Å; K138-I165 HydrophobicContact CG-CG1 3.85Å; K138-K190 WeakPolarHBondContact O-CD 3.46Å
139L97.6Very high95.8Very high46 Ų4649 Ų4924%0.24124%0.236CC..SBendtrans-106.1-2.5179.9-63.4180000112.9L134 L137 K190 W254L134-L139 HydrophobicContact CB-CB 4.38Å; L134-L139 HydrophobicContact CD2-CB 4Å; L134-L139 HydrophobicContact CD2-CD1 4.22Å; L134-L139 WeakPolarHBondContact O-CA 3.21Å; L134-L139 PolarHBondContact O-N 3.28Å; L137-L139 HydrophobicContact CB-CB 4.37Å; L137-L139 HydrophobicContact CB-CD1 3.92Å; L137-L139 HydrophobicContact CB-CG 3.91Å; L137-L139 HydrophobicContact CD1-CD1 4.3Å; L137-L139 PolarHBondContact O-N 2.9Å; L139-K190 WeakPolarHBondContact O-CB 3.42Å; L139-K190 PolarHBondContact O-N 2.96Å; L139-W254 HydrophobicContact CB-CH2 4.25Å; L139-W254 HydrophobicContact CB-CZ2 3.99Å; L139-W254 HydrophobicContact CD2-CZ2 4.27Å; L139-W254 HydrophobicContact CG-CZ2 4.48Å; L139-W254 WeakPolarHBondContact O-CH2 3.4Å
140A98.1Very high95.1Very high5 Ų546.7 Ų46.74%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-145.8155.316900000110.3L134 I135 L187 R188L134-A140 HydrophobicContact CB-CB 3.75Å; L134-A140 PolarHBondContact O-N 3.35Å; I135-A140 WeakPolarHBondContact CA-O 3.46Å; I135-A140 HydrophobicContact CG1-CB 3.98Å; A140-L187 HydrophobicContact CB-CD1 4.14Å; A140-L187 HydrophobicContact CB-CD2 4.49Å; A140-L187 HydrophobicContact CB-CG 4.31Å; A140-R188 WeakPolarHBondContact CA-O 3.45Å; A140-R188 WeakPolarHBondContact CB-O 3.38Å
141Y98.3Very high94.2Very high4 Ų453.5 Ų53.52%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-150.9152.7178.864.4-81.5000110.1C143 S158 W160 R161 R188 K190 D199Y141-C143 HydrophobicContact CD2-CB 4.29Å; Y141-C143 HydrophobicContact CE2-CB 3.87Å; Y141-S158 VanDerWaalsContact OH-CB 3.24Å; Y141-S158 WeakPolarHBondContact OH-CB 3.38Å; Y141-W160 HydrophobicContact CD2-CB 4.49Å; Y141-W160 WeakPolarHBondContact CD2-O 3.4Å; Y141-R161 HydrophobicContact CD1-CG 4.46Å; Y141-R161 HydrophobicContact CE1-CB 4.28Å; Y141-R161 HydrophobicContact CE1-CG 3.83Å; Y141-R161 HydrophobicContact CE2-CB 4.21Å; Y141-R188 HydrophobicContact CE1-CB 4.07Å; Y141-R188 HydrophobicContact CE2-CB 4.34Å; Y141-R188 PolarHBondContact N-O 2.82Å; Y141-R188 PolarHBondContact O-N 2.73Å; Y141-K190 HydrophobicContact CD1-CB 4.24Å; Y141-K190 HydrophobicContact CD1-CG 4.44Å; Y141-K190 HydrophobicContact CE1-CB 4.3Å; Y141-K190 HydrophobicContact CE1-CG 4.33Å; Y141-D199 HydrophobicContact CE1-CB 4.27Å; Y141-D199 VanDerWaalsContact CE1-OD2 3.27Å; Y141-D199 WeakPolarHBondContact CE1-OD2 3.48Å; Y141-D199 PolarHBondContact OH-OD2 3.24Å
142V98.3Very high93Very high0 Ų056.5 Ų56.50%028%0.283CS..EExtended strand (participates in β ladder)trans-78.7141.2172.7176.80000108.9R163 S168 L171 F172 M175 A185 T186 L187V142-R163 PolarHBondContact O-NE 3.03Å; V142-R163 PolarHBondContact O-NH1 3.47Å; V142-R163 VanDerWaalsContact O-NH1 3.12Å; V142-R163 PolarHBondContact O-NH2 2.9Å; V142-S168 WeakPolarHBondContact CG2-O 3.26Å; V142-L171 HydrophobicContact CB-CB 4.15Å; V142-L171 HydrophobicContact CG1-CB 4.04Å; V142-L171 HydrophobicContact CG2-CB 4.08Å; V142-F172 HydrophobicContact CG2-CB 3.85Å; V142-M175 HydrophobicContact CG1-SD 3.77Å; V142-M175 HydrophobicContact CG2-SD 3.99Å; V142-A185 HydrophobicContact CG1-CB 4.03Å; V142-T186 CarbonylContact C-O 3.43Å; V142-T186 WeakPolarHBondContact CA-O 3.21Å; V142-L187 HydrophobicContact CG2-CD1 4.09Å
143C97.2Very high91.6Very high0 Ų064.8 Ų64.80%032%0.318CS..EExtended strand (participates in β ladder)trans-132.8139.6-176.5178.60000109.9Y141 Q145 S158 A185 T186 R188Y141-C143 HydrophobicContact CD2-CB 4.29Å; Y141-C143 HydrophobicContact CE2-CB 3.87Å; C143-Q145 PolarHBondContact SG-N 3.31Å; C143-Q145 VanDerWaalsContact SG-N 3.41Å; C143-S158 PolarHBondContact SG-OG 3.39Å; C143-A185 CarbonylContact O-C 3.54Å; C143-A185 VanDerWaalsContact O-CA 3.3Å; C143-A185 WeakPolarHBondContact O-CA 3.42Å; C143-T186 PolarHBondContact N-O 3.08Å; C143-T186 PolarHBondContact O-N 3.49Å; C143-R188 HydrophobicContact CB-CG 3.81Å; C143-R188 VanDerWaalsContact SG-CD 3.58Å
144H96.6Very high90.6Very high63 Ų6368.4 Ų68.429%0.29234%0.341SS..  trans-106.38.6177.6-60.8-66.5000113.5A146 W160 R163 M184H144-A146 PolarHBondContact O-N 3.41Å; H144-W160 HydrophobicContact CB-CD2 4.44Å; H144-W160 HydrophobicContact CB-CE3 4.27Å; H144-W160 HydrophobicContact CB-CH2 3.7Å; H144-W160 HydrophobicContact CB-CZ2 3.86Å; H144-W160 HydrophobicContact CB-CZ3 3.91Å; H144-R163 PolarHBondContact CD2-NH2 3.37Å; H144-R163 PolarHBondContact NE2-NH1 3.1Å; H144-R163 PolarHBondContact NE2-NH2 3.2Å; H144-M184 PolarHBondContact ND1-O 2.97Å
145Q94.1Very high89.6Confident6 Ų670 Ų703%0.02835%0.351CS..  trans-62.2131.5169.4-68.2-177.3-72.100109.1C143 E149 I150 P156 S158 W160C143-Q145 PolarHBondContact SG-N 3.31Å; C143-Q145 VanDerWaalsContact SG-N 3.41Å; Q145-E149 WeakPolarHBondContact CA-OE2 3.21Å; Q145-E149 HydrophobicContact CB-CB 4.2Å; Q145-I150 HydrophobicContact CB-CG2 3.75Å; Q145-I150 HydrophobicContact CG-CG2 4.48Å; Q145-P156 PolarHBondContact NE2-O 3.23Å; Q145-S158 VanDerWaalsContact OE1-CA 3.25Å; Q145-S158 VanDerWaalsContact OE1-CB 3.3Å; Q145-W160 HydrophobicContact CB-CZ3 4.44Å; Q145-W160 HydrophobicContact CG-CE3 4.13Å; Q145-W160 HydrophobicContact CG-CZ3 3.67Å
146A90.2Very high88.9Confident30 Ų3073.7 Ų73.725%0.24838%0.375CS..  trans-62.5158.9171.100000110.5H144 E148 E149 I150H144-A146 PolarHBondContact O-N 3.41Å; A146-E148 PolarHBondContact O-N 3.24Å; A146-E149 HydrophobicContact CB-CG 4.27Å; A146-E149 PolarHBondContact N-OE2 3.05Å; A146-E149 PolarHBondContact O-N 2.6Å; A146-I150 PolarHBondContact O-N 3.08Å
147V85.9Confident88.3Confident52 Ų5272.5 Ų72.532%0.31538%0.381SS..THydrogen-bonded Turntrans-60.2-33.1-178.5174.20000111.1E149 I150 R151V147-E149 VanDerWaalsContact C-N 3.34Å; V147-I150 WeakPolarHBondContact O-CG1 3.27Å; V147-I150 PolarHBondContact O-N 3.35Å; V147-R151 HydrophobicContact CG1-CG 4.4Å; V147-R151 VanDerWaalsContact O-CG 3.24Å; V147-R151 WeakPolarHBondContact O-CG 3.4Å; V147-R151 PolarHBondContact O-N 3.35Å
148E85.3Confident88.1Confident135 Ų13568.8 Ų68.863%0.63136%0.362SS*.THydrogen-bonded Turntrans-66.9-34178.3-64.965.3-141.700112A146 I150A146-E148 PolarHBondContact O-N 3.24Å; E148-I150 VanDerWaalsContact C-N 3.33Å
149E86.1Confident88Confident97 Ų9767 Ų6745%0.45337%0.365SS..THydrogen-bonded Turntrans-75.6-22.8-179.1-63.5179.189.500112.9Q145 A146 V147 P155Q145-E149 WeakPolarHBondContact CA-OE2 3.21Å; Q145-E149 HydrophobicContact CB-CB 4.2Å; A146-E149 HydrophobicContact CB-CG 4.27Å; A146-E149 PolarHBondContact N-OE2 3.05Å; A146-E149 PolarHBondContact O-N 2.6Å; V147-E149 VanDerWaalsContact C-N 3.34Å; E149-P155 WeakPolarHBondContact O-CB 3.44Å
150I84.3Confident87.9Confident37 Ų3768.8 Ų68.819%0.1937%0.368CS..SBendtrans-100-5.3179.563.5173.1000113Q145 A146 V147 E148 V201Q145-I150 HydrophobicContact CB-CG2 3.75Å; Q145-I150 HydrophobicContact CG-CG2 4.48Å; A146-I150 PolarHBondContact O-N 3.08Å; V147-I150 WeakPolarHBondContact O-CG1 3.27Å; V147-I150 PolarHBondContact O-N 3.35Å; E148-I150 VanDerWaalsContact C-N 3.33Å; I150-V201 HydrophobicContact CD1-CG2 4.02Å
151R79.6Confident87.8Confident174 Ų17471.8 Ų71.866%0.65738%0.379SS*.  trans-83.9151.2176.8-84.6175179.2-179.97.7110.9V147V147-R151 HydrophobicContact CG1-CG 4.4Å; V147-R151 VanDerWaalsContact O-CG 3.24Å; V147-R151 WeakPolarHBondContact O-CG 3.4Å; V147-R151 PolarHBondContact O-N 3.35Å
152G72.3Confident87.7Confident64 Ų6477.8 Ų77.866%0.6641%0.411SS*.SBendtrans99.6-169.817400000114.3
153F71.1Confident87.5Confident209 Ų20979 Ų7992%0.91742%0.415SS*.SBendtrans-87.9125179.8-68.7-85.2000109.5
154N75.9Confident87.6Confident157 Ų15782.5 Ų82.584%0.8444%0.438SS*.SBendtrans57.858.5-179.8-58.4-27.2000114.9
155P79Confident87.6Confident34 Ų3481.1 Ų81.122%0.22143%0.433CS..PPolyproline II helixtrans-58.2146.1171.927.7-34.6000110.5E149E149-P155 WeakPolarHBondContact O-CB 3.44Å
156P82.9Confident87.8Confident79 Ų7987.2 Ų87.251%0.51346%0.461SS..PPolyproline II helixtrans-58.6144.1177.325-33.3000110.2Q145 S158Q145-P156 PolarHBondContact NE2-O 3.23Å; P156-S158 PolarHBondContact O-N 3.2Å
157P87.2Confident88.2Confident103 Ų10388.9 Ų88.967%0.66946%0.464SS*.PPolyproline II helixtrans-57.8142176.926.1-33.8000109.3P159P157-P159 WeakPolarHBondContact O-CD 3.24Å
158S93.1Very high88.8Confident8 Ų886.5 Ų86.56%0.05645%0.449CS..PPolyproline II helixtrans-59.6126.4178.6-177.30000109.9Y141 C143 Q145 P156 W160 R161Y141-S158 VanDerWaalsContact OH-CB 3.24Å; Y141-S158 WeakPolarHBondContact OH-CB 3.38Å; C143-S158 PolarHBondContact SG-OG 3.39Å; Q145-S158 VanDerWaalsContact OE1-CA 3.25Å; Q145-S158 VanDerWaalsContact OE1-CB 3.3Å; P156-S158 PolarHBondContact O-N 3.2Å; S158-W160 PolarHBondContact O-N 3.18Å; S158-W160 PolarHBondContact OG-N 3.36Å; S158-R161 WeakPolarHBondContact O-CB 3.22Å; S158-R161 PolarHBondContact O-N 3.13Å; S158-R161 VanDerWaalsContact O-N 3.09Å
159P94.4Very high89.4Confident103 Ų10382.2 Ų82.267%0.66943%0.43SS*.THydrogen-bonded Turntrans-56.4-16172.7-25.434.3000113.3P157P157-P159 WeakPolarHBondContact O-CD 3.24Å
160W96.5Very high90Very high84 Ų8484.4 Ų84.432%0.31843%0.434SS..THydrogen-bonded Turntrans-107.53.1-172.6-66.4-68.3000113.9Y141 H144 Q145 S158 D162 R163Y141-W160 HydrophobicContact CD2-CB 4.49Å; Y141-W160 WeakPolarHBondContact CD2-O 3.4Å; H144-W160 HydrophobicContact CB-CD2 4.44Å; H144-W160 HydrophobicContact CB-CE3 4.27Å; H144-W160 HydrophobicContact CB-CH2 3.7Å; H144-W160 HydrophobicContact CB-CZ2 3.86Å; H144-W160 HydrophobicContact CB-CZ3 3.91Å; Q145-W160 HydrophobicContact CB-CZ3 4.44Å; Q145-W160 HydrophobicContact CG-CE3 4.13Å; Q145-W160 HydrophobicContact CG-CZ3 3.67Å; S158-W160 PolarHBondContact O-N 3.18Å; S158-W160 PolarHBondContact OG-N 3.36Å; W160-D162 PolarHBondContact O-N 2.76Å; W160-D162 VanDerWaalsContact O-N 3.14Å; W160-R163 WeakPolarHBondContact O-CB 3.15Å; W160-R163 VanDerWaalsContact O-CG 3.27Å; W160-R163 WeakPolarHBondContact O-CG 3.41Å; W160-R163 PolarHBondContact O-N 3.2Å
161R95.7Very high90.7Very high69 Ų6983.8 Ų83.826%0.2643%0.431SS..THydrogen-bonded Turntrans-57.2-29.7-176-172.3172.7-160.6-91-1.2114.2Y141 S158 K190 D199Y141-R161 HydrophobicContact CD1-CG 4.46Å; Y141-R161 HydrophobicContact CE1-CB 4.28Å; Y141-R161 HydrophobicContact CE1-CG 3.83Å; Y141-R161 HydrophobicContact CE2-CB 4.21Å; S158-R161 WeakPolarHBondContact O-CB 3.22Å; S158-R161 PolarHBondContact O-N 3.13Å; S158-R161 VanDerWaalsContact O-N 3.09Å; R161-K190 HydrophobicContact CG-CD 4.41Å; R161-K190 HydrophobicContact CG-CG 4.4Å; R161-K190 VanDerWaalsContact CZ-CG 3.48Å; R161-K190 VanDerWaalsContact NH2-CG 3.26Å; R161-K190 PolarHBondContact O-NZ 3.47Å; R161-D199 WeakPolarHBondContact CD-OD2 3.22Å; R161-D199 IonicContact CZ-OD1 3.02Å; R161-D199 IonicContact CZ-OD2 2.75Å; R161-D199 IonicContact NE-OD1 3.72Å; R161-D199 PolarHBondContact NE-OD1 2.94Å; R161-D199 IonicContact NE-OD2 2.66Å; R161-D199 PolarHBondContact NE-OD2 2.64Å; R161-D199 IonicContact NH2-OD1 3.84Å; R161-D199 PolarHBondContact NH2-OD1 3.49Å; R161-D199 IonicContact NH2-OD2 3.13Å
162D95.3Very high91.6Very high129 Ų12975.5 Ų75.569%0.6940%0.4SS*.THydrogen-bonded Turntrans-111.419.7-178.9-61.5-49.4000112.7W160 K190W160-D162 PolarHBondContact O-N 2.76Å; W160-D162 VanDerWaalsContact O-N 3.14Å; D162-K190 IonicContact OD1-NZ 2.73Å; D162-K190 PolarHBondContact OD1-NZ 2.99Å
163R96.1Very high92.8Very high26 Ų2675.8 Ų75.810%0.09839%0.385CS..  trans-60.6149.4174.975170.859.8173.23.7111.1V142 H144 W160 S168V142-R163 PolarHBondContact O-NE 3.03Å; V142-R163 PolarHBondContact O-NH1 3.47Å; V142-R163 VanDerWaalsContact O-NH1 3.12Å; V142-R163 PolarHBondContact O-NH2 2.9Å; H144-R163 PolarHBondContact CD2-NH2 3.37Å; H144-R163 PolarHBondContact NE2-NH1 3.1Å; H144-R163 PolarHBondContact NE2-NH2 3.2Å; W160-R163 WeakPolarHBondContact O-CB 3.15Å; W160-R163 VanDerWaalsContact O-CG 3.27Å; W160-R163 WeakPolarHBondContact O-CG 3.41Å; W160-R163 PolarHBondContact O-N 3.2Å; R163-S168 VanDerWaalsContact CD-OG 3.23Å; R163-S168 WeakPolarHBondContact CD-OG 3.5Å; R163-S168 WeakPolarHBondContact CG-OG 3.32Å
164P97.5Very high94.1Very high73 Ų7367.3 Ų67.347%0.47435%0.349SS..  trans-52.1149.6177.2-27.734.8000114E166 E167 S168P164-E166 VanDerWaalsContact C-N 3.34Å; P164-E166 PolarHBondContact O-N 3.31Å; P164-E167 HydrophobicContact CB-CB 4.22Å; P164-E167 WeakPolarHBondContact CD-OE2 3.46Å; P164-E167 PolarHBondContact O-N 3.24Å; P164-S168 PolarHBondContact O-N 2.76Å; P164-S168 VanDerWaalsContact O-N 3.07Å; P164-S168 PolarHBondContact O-OG 3.22Å
165I98.1Very high95.2Very high35 Ų3559.9 Ų59.918%0.17931%0.309CS..Hα-helixtrans-60.4-47.3179.8-67172.8000109.9I135 K138 E167 S168 L169I135-I165 HydrophobicContact CG2-CG2 4.24Å; K138-I165 HydrophobicContact CD-CD1 4.27Å; K138-I165 HydrophobicContact CG-CD1 3.63Å; K138-I165 HydrophobicContact CG-CG1 3.85Å; I165-E167 VanDerWaalsContact C-N 3.27Å; I165-E167 PolarHBondContact O-N 2.96Å; I165-S168 WeakPolarHBondContact O-CB 3.25Å; I165-S168 PolarHBondContact O-N 3.3Å; I165-S168 VanDerWaalsContact O-N 3.14Å; I165-L169 HydrophobicContact CG2-CD1 3.89Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CG 3.34Å; I165-L169 PolarHBondContact O-N 3.21Å
166E98.1Very high96.1Very high133 Ų13360.7 Ų60.762%0.62131%0.309SS*.Hα-helixtrans-61.9-38.4-176.4-64.369.3-152.700111.1P164 R170P164-E166 VanDerWaalsContact C-N 3.34Å; P164-E166 PolarHBondContact O-N 3.31Å; E166-R170 WeakPolarHBondContact O-CB 3.31Å; E166-R170 PolarHBondContact O-N 3.19Å
167E98.3Very high96.7Very high66 Ų6661 Ų6131%0.30831%0.306SS..Hα-helixtrans-67.2-44.6175-178.7175-171.400111.5P164 I165 L169 R170 L171P164-E167 HydrophobicContact CB-CB 4.22Å; P164-E167 WeakPolarHBondContact CD-OE2 3.46Å; P164-E167 PolarHBondContact O-N 3.24Å; I165-E167 VanDerWaalsContact C-N 3.27Å; I165-E167 PolarHBondContact O-N 2.96Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.06Å; E167-R170 PolarHBondContact O-N 2.76Å; E167-L171 HydrophobicContact CG-CD1 3.81Å; E167-L171 WeakPolarHBondContact O-CB 3.36Å; E167-L171 WeakPolarHBondContact O-CG 3.32Å; E167-L171 PolarHBondContact O-N 2.72Å
168S98.2Very high97.1Very high2 Ų257.6 Ų57.61%0.01429%0.29CS..Hα-helixtrans-62-41.2175.6-680000112.3I135 V142 R163 P164 I165 L171 F172I135-S168 VanDerWaalsContact CG2-CB 3.49Å; V142-S168 WeakPolarHBondContact CG2-O 3.26Å; R163-S168 VanDerWaalsContact CD-OG 3.23Å; R163-S168 WeakPolarHBondContact CD-OG 3.5Å; R163-S168 WeakPolarHBondContact CG-OG 3.32Å; P164-S168 PolarHBondContact O-N 2.76Å; P164-S168 VanDerWaalsContact O-N 3.07Å; P164-S168 PolarHBondContact O-OG 3.22Å; I165-S168 WeakPolarHBondContact O-CB 3.25Å; I165-S168 PolarHBondContact O-N 3.3Å; I165-S168 VanDerWaalsContact O-N 3.14Å; S168-L171 PolarHBondContact O-N 2.85Å; S168-F172 VanDerWaalsContact O-CB 3.3Å; S168-F172 WeakPolarHBondContact O-CB 3.07Å; S168-F172 PolarHBondContact O-N 3.49Å
169L98.6Very high97.3Very high44 Ų4464 Ų6423%0.2332%0.317CS..Hα-helixtrans-63.6-47.9177.7-74.1174.1000111.6I132 I135 K136 I165 E167 L171 F172 E173I132-L169 HydrophobicContact CB-CD2 4.39Å; I132-L169 HydrophobicContact CG1-CD2 4.46Å; I132-L169 HydrophobicContact CG2-CD2 3.83Å; I135-L169 HydrophobicContact CB-CD2 3.95Å; I135-L169 HydrophobicContact CB-CG 4.48Å; I135-L169 HydrophobicContact CD1-CD2 4.16Å; I135-L169 HydrophobicContact CG2-CD2 3.78Å; I135-L169 HydrophobicContact CG2-CG 3.76Å; K136-L169 HydrophobicContact CG-CD1 4.14Å; K136-L169 HydrophobicContact CG-CD2 4.42Å; I165-L169 HydrophobicContact CG2-CD1 3.89Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CG 3.34Å; I165-L169 PolarHBondContact O-N 3.21Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.06Å; L169-L171 VanDerWaalsContact C-N 3.34Å; L169-L171 PolarHBondContact O-N 3.41Å; L169-F172 PolarHBondContact O-N 2.95Å; L169-E173 WeakPolarHBondContact O-CB 3.38Å; L169-E173 PolarHBondContact O-N 3.37Å
170R98.5Very high97.5Very high143 Ų14360.3 Ų60.354%0.5429%0.292SS..Hα-helixtrans-59-47.5177.4-177.2-178.965.4-127.3-1.7111E166 E167 F172 E173 D174E166-R170 WeakPolarHBondContact O-CB 3.31Å; E166-R170 PolarHBondContact O-N 3.19Å; E167-R170 PolarHBondContact O-N 2.76Å; R170-F172 PolarHBondContact O-N 2.9Å; R170-E173 PolarHBondContact O-N 2.94Å; R170-D174 WeakPolarHBondContact O-CB 3.34Å; R170-D174 VanDerWaalsContact O-CG 3.24Å; R170-D174 PolarHBondContact O-N 2.9Å
171L98.4Very high97.4Very high24 Ų2461.9 Ų61.913%0.12631%0.306CS..Hα-helixtrans-67.4-36.9-179-71.4167.7000112.2V142 E167 S168 L169 E173 D174 M175 I180V142-L171 HydrophobicContact CB-CB 4.15Å; V142-L171 HydrophobicContact CG1-CB 4.04Å; V142-L171 HydrophobicContact CG2-CB 4.08Å; E167-L171 HydrophobicContact CG-CD1 3.81Å; E167-L171 WeakPolarHBondContact O-CB 3.36Å; E167-L171 WeakPolarHBondContact O-CG 3.32Å; E167-L171 PolarHBondContact O-N 2.72Å; S168-L171 PolarHBondContact O-N 2.85Å; L169-L171 VanDerWaalsContact C-N 3.34Å; L169-L171 PolarHBondContact O-N 3.41Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-D174 PolarHBondContact O-N 2.9Å; L171-M175 WeakPolarHBondContact O-CG 3.5Å; L171-M175 PolarHBondContact O-N 2.91Å; L171-I180 HydrophobicContact CD2-CD1 4.27Å
172F98.5Very high97.4Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-67.3-37.5176.9-171.8-125.9000111.9Y128 A131 I132 I135 V142 S168 L169 R170 M175 K176 L187 Y203 I219Y128-F172 HydrophobicContact CD2-CD1 4.25Å; Y128-F172 AromaticContact CD2-CE1 3.36Å; Y128-F172 HydrophobicContact CD2-CE1 3.36Å; Y128-F172 AromaticContact CD2-CZ 3.67Å; Y128-F172 HydrophobicContact CD2-CZ 3.67Å; Y128-F172 AromaticContact CE2-CD1 3.59Å; Y128-F172 HydrophobicContact CE2-CD1 3.59Å; Y128-F172 AromaticContact CE2-CE1 3.16Å; Y128-F172 HydrophobicContact CE2-CE1 3.16Å; Y128-F172 HydrophobicContact CE2-CG 4.49Å; Y128-F172 AromaticContact CE2-CZ 3.75Å; Y128-F172 HydrophobicContact CE2-CZ 3.75Å; Y128-F172 HydrophobicContact CG-CE1 4.43Å; A131-F172 HydrophobicContact CB-CE1 3.58Å; A131-F172 HydrophobicContact CB-CZ 3.69Å; I132-F172 HydrophobicContact CG1-CD1 4.27Å; I132-F172 HydrophobicContact CG1-CE1 4.4Å; I135-F172 HydrophobicContact CD1-CB 3.9Å; I135-F172 HydrophobicContact CD1-CD1 3.83Å; I135-F172 HydrophobicContact CD1-CG 3.98Å; V142-F172 HydrophobicContact CG2-CB 3.85Å; S168-F172 VanDerWaalsContact O-CB 3.3Å; S168-F172 WeakPolarHBondContact O-CB 3.07Å; S168-F172 PolarHBondContact O-N 3.49Å; L169-F172 PolarHBondContact O-N 2.95Å; R170-F172 PolarHBondContact O-N 2.9Å; F172-M175 HydrophobicContact CD2-CE 4.44Å; F172-M175 HydrophobicContact CD2-SD 4.05Å; F172-M175 WeakPolarHBondContact O-CB 3.19Å; F172-M175 PolarHBondContact O-N 2.93Å; F172-K176 PolarHBondContact O-N 2.7Å; F172-L187 HydrophobicContact CD2-CB 4.11Å; F172-L187 HydrophobicContact CD2-CD1 4.19Å; F172-L187 HydrophobicContact CD2-CD2 4.22Å; F172-L187 HydrophobicContact CD2-CG 4.41Å; F172-L187 HydrophobicContact CE1-CD2 4.32Å; F172-L187 HydrophobicContact CE2-CB 3.94Å; F172-L187 HydrophobicContact CE2-CD2 3.78Å; F172-L187 HydrophobicContact CE2-CG 4.31Å; F172-L187 HydrophobicContact CG-CD1 4.44Å; F172-L187 HydrophobicContact CZ-CD2 3.83Å; F172-Y203 HydrophobicContact CE2-CD1 4.37Å; F172-Y203 HydrophobicContact CE2-CD2 4.24Å; F172-Y203 AromaticContact CE2-CG 3.94Å; F172-Y203 HydrophobicContact CE2-CG 3.94Å; F172-Y203 HydrophobicContact CZ-CD1 4.3Å; F172-Y203 AromaticContact CZ-CD2 3.96Å; F172-Y203 HydrophobicContact CZ-CD2 3.96Å; F172-Y203 HydrophobicContact CZ-CE2 4.22Å; F172-Y203 HydrophobicContact CZ-CG 4Å; F172-I219 HydrophobicContact CD2-CD1 4.32Å; F172-I219 HydrophobicContact CE2-CD1 3.62Å; F172-I219 HydrophobicContact CZ-CD1 3.75Å
173E98.2Very high97.3Very high71 Ų7157.7 Ų57.733%0.33230%0.295SS..Hα-helixtrans-66-39.5170.8-173.564.7-135.800111.2Y128 L169 R170 L171 M175 K176 N177Y128-E173 PolarHBondContact OH-OE2 2.7Å; L169-E173 WeakPolarHBondContact O-CB 3.38Å; L169-E173 PolarHBondContact O-N 3.37Å; R170-E173 PolarHBondContact O-N 2.94Å; L171-E173 VanDerWaalsContact C-N 3.34Å; E173-M175 VanDerWaalsContact C-N 3.34Å; E173-M175 PolarHBondContact O-N 2.79Å; E173-K176 PolarHBondContact O-N 3.21Å; E173-K176 IonicContact OE1-NZ 3.81Å; E173-N177 WeakPolarHBondContact CG-ND2 3.09Å; E173-N177 WeakPolarHBondContact O-CB 3.3Å; E173-N177 PolarHBondContact O-N 3.38Å; E173-N177 PolarHBondContact O-ND2 3.19Å; E173-N177 PolarHBondContact OE1-ND2 3.03Å
174D98.2Very high97.3Very high31 Ų3161.6 Ų61.617%0.16632%0.315CS..Hα-helixtrans-64.6-37174.1-71.1-27000112R170 L171 N177 G178 K179 I180R170-D174 WeakPolarHBondContact O-CB 3.34Å; R170-D174 VanDerWaalsContact O-CG 3.24Å; R170-D174 PolarHBondContact O-N 2.9Å; L171-D174 PolarHBondContact O-N 2.9Å; D174-N177 PolarHBondContact O-N 2.71Å; D174-G178 PolarHBondContact O-N 3.2Å; D174-K179 HydrophobicContact CB-CB 4.22Å; D174-K179 HydrophobicContact CB-CD 4.16Å; D174-K179 PolarHBondContact O-N 3.02Å; D174-K179 WeakPolarHBondContact OD1-CD 3.28Å; D174-K179 WeakPolarHBondContact OD1-CE 3.31Å; D174-K179 IonicContact OD1-NZ 3.71Å; D174-K179 PolarHBondContact OD1-NZ 2.95Å; D174-I180 HydrophobicContact CB-CD1 4.16Å
175M98.1Very high97.3Very high0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-61.1-49.4171.4-65.4168.560.900110.5V142 L171 F172 E173 N177 G178 I180 A185 I205 C218 I219V142-M175 HydrophobicContact CG1-SD 3.77Å; V142-M175 HydrophobicContact CG2-SD 3.99Å; L171-M175 WeakPolarHBondContact O-CG 3.5Å; L171-M175 PolarHBondContact O-N 2.91Å; F172-M175 HydrophobicContact CD2-CE 4.44Å; F172-M175 HydrophobicContact CD2-SD 4.05Å; F172-M175 WeakPolarHBondContact O-CB 3.19Å; F172-M175 PolarHBondContact O-N 2.93Å; E173-M175 VanDerWaalsContact C-N 3.34Å; E173-M175 PolarHBondContact O-N 2.79Å; M175-N177 VanDerWaalsContact C-N 3.27Å; M175-N177 PolarHBondContact O-N 3.28Å; M175-G178 PolarHBondContact O-N 2.8Å; M175-G178 VanDerWaalsContact O-N 3.13Å; M175-I180 HydrophobicContact CG-CD1 3.74Å; M175-A185 HydrophobicContact CE-CB 4.31Å; M175-A185 HydrophobicContact CG-CB 4.06Å; M175-A185 HydrophobicContact SD-CB 3.89Å; M175-I205 HydrophobicContact CB-CD1 4.33Å; M175-I205 HydrophobicContact CB-CG1 4.29Å; M175-I205 HydrophobicContact CE-CD1 4.17Å; M175-I205 HydrophobicContact CE-CG1 3.81Å; M175-I205 HydrophobicContact CG-CD1 4.04Å; M175-I205 HydrophobicContact CG-CG1 4.38Å; M175-C218 PolarHBondContact O-SG 3.46Å; M175-I219 HydrophobicContact CB-CG2 3.75Å; M175-I219 HydrophobicContact CE-CG2 4.38Å; M175-I219 WeakPolarHBondContact O-CG2 3.37Å
176K97.4Very high97.3Very high52 Ų5257.1 Ų57.123%0.22629%0.288CS..Hα-helixtrans-59.6-36.9177.9-178.5-174162.2-134.70112.5Y128 F172 E173 G178 W217 C218 I219Y128-K176 HydrophobicContact CD1-CD 4.35Å; Y128-K176 HydrophobicContact CD2-CD 4.18Å; Y128-K176 HydrophobicContact CE1-CD 3.8Å; Y128-K176 HydrophobicContact CE2-CB 4.15Å; Y128-K176 HydrophobicContact CE2-CD 3.63Å; Y128-K176 HydrophobicContact CE2-CG 4.32Å; Y128-K176 VanDerWaalsContact CZ-CD 3.43Å; F172-K176 PolarHBondContact O-N 2.7Å; E173-K176 PolarHBondContact O-N 3.21Å; E173-K176 IonicContact OE1-NZ 3.81Å; K176-G178 PolarHBondContact O-N 3.39Å; K176-W217 HydrophobicContact CD-CE3 4.49Å; K176-W217 HydrophobicContact CD-CZ3 3.93Å; K176-W217 HydrophobicContact CG-CE3 4.36Å; K176-W217 HydrophobicContact CG-CZ3 4.27Å; K176-C218 PolarHBondContact O-SG 3.36Å; K176-I219 HydrophobicContact CB-CD1 3.67Å; K176-I219 HydrophobicContact CB-CG1 4.16Å; K176-I219 HydrophobicContact CG-CD1 4.23Å; K176-I219 HydrophobicContact CG-CG1 4.42Å
177N97.3Very high97.3Very high84 Ų8450.8 Ų50.845%0.44926%0.259SS..THydrogen-bonded Turntrans-84.18.9-179.7-68.5-50.7000113.5E173 D174 M175 K179E173-N177 WeakPolarHBondContact CG-ND2 3.09Å; E173-N177 WeakPolarHBondContact O-CB 3.3Å; E173-N177 PolarHBondContact O-N 3.38Å; E173-N177 PolarHBondContact O-ND2 3.19Å; E173-N177 PolarHBondContact OE1-ND2 3.03Å; D174-N177 PolarHBondContact O-N 2.71Å; M175-N177 VanDerWaalsContact C-N 3.27Å; M175-N177 PolarHBondContact O-N 3.28Å; N177-K179 VanDerWaalsContact C-N 3.32Å; N177-K179 HydrophobicContact CB-CG 4.4Å; N177-K179 PolarHBondContact O-N 2.8Å
178G95.8Very high97.2Very high33 Ų3348 Ų4834%0.3425%0.246SC..THydrogen-bonded Turntrans69.523.3175.100000114.7D174 M175 K176 I180D174-G178 PolarHBondContact O-N 3.2Å; M175-G178 PolarHBondContact O-N 2.8Å; M175-G178 VanDerWaalsContact O-N 3.13Å; K176-G178 PolarHBondContact O-N 3.39Å; G178-I180 VanDerWaalsContact C-N 3.31Å
179K97.4Very high97.1Very high143 Ų14348 Ų4862%0.62225%0.245SC*.  trans-85.3-4.6179.1-57.5-175.7-165.3161.30113.7D174 N177D174-K179 HydrophobicContact CB-CB 4.22Å; D174-K179 HydrophobicContact CB-CD 4.16Å; D174-K179 PolarHBondContact O-N 3.02Å; D174-K179 WeakPolarHBondContact OD1-CD 3.28Å; D174-K179 WeakPolarHBondContact OD1-CE 3.31Å; D174-K179 IonicContact OD1-NZ 3.71Å; D174-K179 PolarHBondContact OD1-NZ 2.95Å; N177-K179 VanDerWaalsContact C-N 3.32Å; N177-K179 HydrophobicContact CB-CG 4.4Å; N177-K179 PolarHBondContact O-N 2.8Å
180I96.8Very high96.9Very high25 Ų2548 Ų4813%0.12824%0.243CC..SBendtrans-128.1130.8-177.6-60.7169.1000107.4L171 D174 M175 G178 M184 A185 I205 M207L171-I180 HydrophobicContact CD2-CD1 4.27Å; D174-I180 HydrophobicContact CB-CD1 4.16Å; M175-I180 HydrophobicContact CG-CD1 3.74Å; G178-I180 VanDerWaalsContact C-N 3.31Å; I180-M184 HydrophobicContact CG2-CB 3.72Å; I180-A185 HydrophobicContact CD1-CB 4.43Å; I180-A185 HydrophobicContact CG2-CB 3.87Å; I180-I205 HydrophobicContact CB-CD1 3.95Å; I180-I205 HydrophobicContact CG2-CD1 3.66Å; I180-M207 WeakPolarHBondContact O-CE 3.4Å
181D96.2Very high96.6Very high117 Ų11742.2 Ų42.263%0.62622%0.224SC*.  trans-71161.5-176.7-64.2-30.4000112.9G183 M184 I205D181-G183 PolarHBondContact O-N 3.17Å; D181-M184 HydrophobicContact CB-CG 3.93Å; D181-M184 WeakPolarHBondContact O-CB 3.33Å; D181-M184 PolarHBondContact O-N 3Å; D181-I205 WeakPolarHBondContact O-CD1 3.44Å
182E95.2Very high96.1Very high74 Ų7445.1 Ų45.135%0.34624%0.242SC..THydrogen-bonded Turntrans-53.6137.5176.2-68-163-16800112.4M184 I205 K206 M207E182-M184 PolarHBondContact O-N 3.4Å; E182-M184 VanDerWaalsContact O-N 3.13Å; E182-I205 HydrophobicContact CG-CG2 4.24Å; E182-K206 WeakPolarHBondContact OE1-CA 3.18Å; E182-K206 WeakPolarHBondContact OE2-CD 3.43Å; E182-K206 IonicContact OE2-NZ 2.81Å; E182-K206 PolarHBondContact OE2-NZ 2.86Å; E182-M207 HydrophobicContact CG-CG 3.92Å; E182-M207 PolarHBondContact OE1-N 3.3Å
183G93.1Very high95.3Very high35 Ų3545.4 Ų45.436%0.36124%0.244SC..THydrogen-bonded Turntrans74.6-9.2178.800000115.3D181D181-G183 PolarHBondContact O-N 3.17Å
184M95.9Very high94.1Very high109 Ų10945.4 Ų45.454%0.53726%0.263SS..SBendtrans-83.5-19.4-178.4-62.5-62.29800113.9H144 I180 D181 E182H144-M184 PolarHBondContact ND1-O 2.97Å; I180-M184 HydrophobicContact CG2-CB 3.72Å; D181-M184 HydrophobicContact CB-CG 3.93Å; D181-M184 WeakPolarHBondContact O-CB 3.33Å; D181-M184 PolarHBondContact O-N 3Å; E182-M184 PolarHBondContact O-N 3.4Å; E182-M184 VanDerWaalsContact O-N 3.13Å
185A97.3Very high93Very high1 Ų147.7 Ų47.71%0.00828%0.275CS..  trans-149.6149.9172.700000112.7V142 C143 M175 I180 I205V142-A185 HydrophobicContact CG1-CB 4.03Å; C143-A185 CarbonylContact O-C 3.54Å; C143-A185 VanDerWaalsContact O-CA 3.3Å; C143-A185 WeakPolarHBondContact O-CA 3.42Å; M175-A185 HydrophobicContact CE-CB 4.31Å; M175-A185 HydrophobicContact CG-CB 4.06Å; M175-A185 HydrophobicContact SD-CB 3.89Å; I180-A185 HydrophobicContact CD1-CB 4.43Å; I180-A185 HydrophobicContact CG2-CB 3.87Å; A185-I205 HydrophobicContact CB-CD1 4.13Å
186T97.5Very high92.2Very high12 Ų1249.9 Ų49.97%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-136.1150.4171.254.70000110.2V142 C143 V201 Y203V142-T186 CarbonylContact C-O 3.43Å; V142-T186 WeakPolarHBondContact CA-O 3.21Å; C143-T186 PolarHBondContact N-O 3.08Å; C143-T186 PolarHBondContact O-N 3.49Å; T186-V201 HydrophobicContact CG2-CG1 4.07Å; T186-V201 HydrophobicContact CG2-CG2 4.28Å; T186-Y203 WeakPolarHBondContact CA-O 3.42Å; T186-Y203 WeakPolarHBondContact CB-O 3.45Å
187L98.3Very high91.6Very high0 Ų051.5 Ų51.50%031%0.305CS..EExtended strand (participates in β ladder)trans-86.2127.3164.2-173.872000108.1A131 I135 A140 V142 F172 V201 A202 Y203A131-L187 HydrophobicContact CB-CD2 3.6Å; I135-L187 HydrophobicContact CD1-CD1 3.67Å; I135-L187 HydrophobicContact CG1-CD1 3.83Å; A140-L187 HydrophobicContact CB-CD1 4.14Å; A140-L187 HydrophobicContact CB-CD2 4.49Å; A140-L187 HydrophobicContact CB-CG 4.31Å; V142-L187 HydrophobicContact CG2-CD1 4.09Å; F172-L187 HydrophobicContact CD2-CB 4.11Å; F172-L187 HydrophobicContact CD2-CD1 4.19Å; F172-L187 HydrophobicContact CD2-CD2 4.22Å; F172-L187 HydrophobicContact CD2-CG 4.41Å; F172-L187 HydrophobicContact CE1-CD2 4.32Å; F172-L187 HydrophobicContact CE2-CB 3.94Å; F172-L187 HydrophobicContact CE2-CD2 3.78Å; F172-L187 HydrophobicContact CE2-CG 4.31Å; F172-L187 HydrophobicContact CG-CD1 4.44Å; F172-L187 HydrophobicContact CZ-CD2 3.83Å; L187-V201 CarbonylContact O-C 3.6Å; L187-V201 WeakPolarHBondContact O-CA 3.41Å; L187-A202 HydrophobicContact CB-CB 4.45Å; L187-A202 HydrophobicContact CD2-CB 4.1Å; L187-A202 HydrophobicContact CG-CB 4.32Å; L187-A202 PolarHBondContact O-N 3.04Å; L187-Y203 HydrophobicContact CD2-CD2 4.09Å; L187-Y203 PolarHBondContact N-O 2.8Å; L187-Y203 PolarHBondContact O-N 2.96Å
188R96.6Very high91.1Very high9 Ų949.8 Ų49.83%0.03430%0.298CS..EExtended strand (participates in β ladder)trans-113.4136.8178.7-61.6-174.668.9-179.51.5110.7A140 Y141 C143 V198 D199 P200 V201A140-R188 WeakPolarHBondContact CA-O 3.45Å; A140-R188 WeakPolarHBondContact CB-O 3.38Å; Y141-R188 HydrophobicContact CE1-CB 4.07Å; Y141-R188 HydrophobicContact CE2-CB 4.34Å; Y141-R188 PolarHBondContact N-O 2.82Å; Y141-R188 PolarHBondContact O-N 2.73Å; C143-R188 HydrophobicContact CB-CG 3.81Å; C143-R188 VanDerWaalsContact SG-CD 3.58Å; R188-V198 PolarHBondContact NH2-O 2.8Å; R188-D199 HydrophobicContact CB-CB 4.29Å; R188-D199 PolarHBondContact NE-O 2.88Å; R188-D199 PolarHBondContact NH2-O 3.13Å; R188-P200 WeakPolarHBondContact CA-O 3.17Å; R188-V201 HydrophobicContact CG-CG2 4.46Å
189M95.8Very high91Very high0 Ų048.3 Ų48.30%028%0.282CS..EExtended strand (participates in β ladder)trans-74.2131.7171.2-61.7-178.2-97.900108.7V191 D199 P200 A202 D224 Y225 W254 L255M189-V191 VanDerWaalsContact C-N 3.31Å; M189-V191 HydrophobicContact CB-CG1 3.97Å; M189-V191 PolarHBondContact O-N 2.94Å; M189-D199 CarbonylContact O-C 3.53Å; M189-D199 WeakPolarHBondContact O-CA 3.37Å; M189-D199 WeakPolarHBondContact O-CB 3.46Å; M189-P200 HydrophobicContact CB-CG 4.24Å; M189-P200 HydrophobicContact CE-CB 3.83Å; M189-P200 HydrophobicContact CE-CG 3.57Å; M189-P200 PolarHBondContact N-O 3.04Å; M189-P200 HydrophobicContact SD-CG 4.38Å; M189-A202 HydrophobicContact CG-CB 3.86Å; M189-D224 HydrophobicContact CE-CB 4.43Å; M189-Y225 HydrophobicContact SD-CD2 4.32Å; M189-W254 HydrophobicContact CB-CH2 3.83Å; M189-W254 HydrophobicContact CB-CZ3 3.71Å; M189-W254 HydrophobicContact CG-CH2 4.36Å; M189-W254 HydrophobicContact CG-CZ3 3.92Å; M189-W254 HydrophobicContact SD-CE3 4.35Å; M189-W254 HydrophobicContact SD-CZ3 3.75Å; M189-L255 HydrophobicContact SD-CD1 3.82Å; M189-L255 HydrophobicContact SD-CD2 3.69Å; M189-L255 HydrophobicContact SD-CG 3.88Å
190K94.6Very high90.7Very high46 Ų4641.6 Ų41.620%0.225%0.253CS..SBendtrans-86.170.1-177.3-164.6174.3-177.1158.40110.9K138 L139 Y141 R161 D162 D199K138-K190 WeakPolarHBondContact O-CD 3.46Å; L139-K190 WeakPolarHBondContact O-CB 3.42Å; L139-K190 PolarHBondContact O-N 2.96Å; Y141-K190 HydrophobicContact CD1-CB 4.24Å; Y141-K190 HydrophobicContact CD1-CG 4.44Å; Y141-K190 HydrophobicContact CE1-CB 4.3Å; Y141-K190 HydrophobicContact CE1-CG 4.33Å; R161-K190 HydrophobicContact CG-CD 4.41Å; R161-K190 HydrophobicContact CG-CG 4.4Å; R161-K190 VanDerWaalsContact CZ-CG 3.48Å; R161-K190 VanDerWaalsContact NH2-CG 3.26Å; R161-K190 PolarHBondContact O-NZ 3.47Å; D162-K190 IonicContact OD1-NZ 2.73Å; D162-K190 PolarHBondContact OD1-NZ 2.99Å; K190-D199 WeakPolarHBondContact CA-OD1 3.32Å
191V91.8Very high90.6Very high20 Ų2041.8 Ų41.812%0.12126%0.255CS..  trans-148.8144.3-175.564.70000111.3M189 L193 D199 P200 W254M189-V191 VanDerWaalsContact C-N 3.31Å; M189-V191 HydrophobicContact CB-CG1 3.97Å; M189-V191 PolarHBondContact O-N 2.94Å; V191-L193 HydrophobicContact CG1-CD2 3.97Å; V191-L193 HydrophobicContact CG2-CD2 4.46Å; V191-D199 PolarHBondContact N-OD1 3.35Å; V191-D199 WeakPolarHBondContact O-CA 3.4Å; V191-D199 PolarHBondContact O-N 2.87Å; V191-P200 HydrophobicContact CG1-CG 4.15Å; V191-P200 WeakPolarHBondContact O-CD 3.44Å; V191-W254 HydrophobicContact CB-CD2 3.96Å; V191-W254 HydrophobicContact CB-CE3 4.35Å; V191-W254 HydrophobicContact CB-CG 4.44Å; V191-W254 HydrophobicContact CB-CH2 4.36Å; V191-W254 HydrophobicContact CB-CZ2 3.93Å; V191-W254 HydrophobicContact CG1-CD2 4.07Å; V191-W254 HydrophobicContact CG1-CE3 3.97Å; V191-W254 HydrophobicContact CG1-CH2 4.27Å; V191-W254 HydrophobicContact CG1-CZ2 4.32Å; V191-W254 HydrophobicContact CG1-CZ3 4.09Å; V191-W254 HydrophobicContact CG2-CD2 3.97Å; V191-W254 HydrophobicContact CG2-CG 3.92Å
192T88.2Confident90.6Very high85 Ų8536.2 Ų36.252%0.52123%0.225SC..BIsolated β-bridgetrans-98.9121.2167.5-560000108.7V198T192-V198 HydrophobicContact CG2-CG2 4.12Å
193L82Confident90.8Very high7 Ų732.8 Ų32.84%0.03721%0.209CC..  trans-76.4164.4179.2-57.3-169.7000111.5V191 D195 G196 K197 P200 A251V191-L193 HydrophobicContact CG1-CD2 3.97Å; V191-L193 HydrophobicContact CG2-CD2 4.46Å; L193-D195 VanDerWaalsContact CB-OD1 3.31Å; L193-D195 WeakPolarHBondContact CB-OD1 3.16Å; L193-D195 PolarHBondContact O-N 3.24Å; L193-G196 WeakPolarHBondContact O-CA 3.22Å; L193-G196 PolarHBondContact O-N 2.72Å; L193-K197 HydrophobicContact CB-CB 4.28Å; L193-K197 HydrophobicContact CD1-CB 4.28Å; L193-K197 HydrophobicContact CD1-CD 4.38Å; L193-K197 HydrophobicContact CG-CB 4.41Å; L193-K197 PolarHBondContact N-O 3.35Å; L193-P200 HydrophobicContact CD1-CB 4.45Å; L193-P200 HydrophobicContact CD1-CG 4.04Å; L193-P200 HydrophobicContact CD2-CG 4.2Å; L193-P200 HydrophobicContact CG-CG 4.1Å; L193-A251 HydrophobicContact CD1-CB 4.11Å; L193-A251 HydrophobicContact CD2-CB 3.5Å; L193-A251 HydrophobicContact CG-CB 4.46Å
194G71.8Confident91Very high71 Ų7133.8 Ų33.873%0.73220%0.202SC*.THydrogen-bonded Turntrans-63.7-21.8-178.500000114.5G196G194-G196 PolarHBondContact O-N 2.93Å
195D76.4Confident91Very high79 Ų7928.9 Ų28.942%0.42218%0.178SC..THydrogen-bonded Turntrans-84.46.5172.264.8-1.9000113.1L193 K197L193-D195 VanDerWaalsContact CB-OD1 3.31Å; L193-D195 WeakPolarHBondContact CB-OD1 3.16Å; L193-D195 PolarHBondContact O-N 3.24Å; D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 2.82Å; D195-K197 WeakPolarHBondContact OD1-CB 3.43Å; D195-K197 PolarHBondContact OD1-N 3.46Å
196G81.4Confident90.9Very high46 Ų4630.7 Ų30.747%0.47419%0.186SC..  trans82-1.3-177.900000114.1L193 G194 V198L193-G196 WeakPolarHBondContact O-CA 3.22Å; L193-G196 PolarHBondContact O-N 2.72Å; G194-G196 PolarHBondContact O-N 2.93Å; G196-V198 PolarHBondContact O-N 2.76Å; G196-V198 VanDerWaalsContact O-N 3.1Å
197K83.5Confident90.8Very high85 Ų8534 Ų3437%0.3720%0.201SC..  trans-64.4114.9177.8-172.9175.3178.8-177.40110L193 D195 R248L193-K197 HydrophobicContact CB-CB 4.28Å; L193-K197 HydrophobicContact CD1-CB 4.28Å; L193-K197 HydrophobicContact CD1-CD 4.38Å; L193-K197 HydrophobicContact CG-CB 4.41Å; L193-K197 PolarHBondContact N-O 3.35Å; D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 2.82Å; D195-K197 WeakPolarHBondContact OD1-CB 3.43Å; D195-K197 PolarHBondContact OD1-N 3.46Å; K197-R248 VanDerWaalsContact NZ-NH1 3.16Å
198V88.5Confident90.6Very high49 Ų4936.2 Ų36.230%0.29722%0.215SC..BIsolated β-bridgetrans-88132.7-178.9-177.70000110.3R188 T192 G196R188-V198 PolarHBondContact NH2-O 2.8Å; T192-V198 HydrophobicContact CG2-CG2 4.12Å; G196-V198 PolarHBondContact O-N 2.76Å; G196-V198 VanDerWaalsContact O-N 3.1Å
199D92.5Very high90.4Very high1 Ų139.3 Ų39.31%0.00524%0.236CC..SBendtrans43.668.7173.9-60.9-10.6000114.3Y141 R161 R188 M189 K190 V191Y141-D199 HydrophobicContact CE1-CB 4.27Å; Y141-D199 VanDerWaalsContact CE1-OD2 3.27Å; Y141-D199 WeakPolarHBondContact CE1-OD2 3.48Å; Y141-D199 PolarHBondContact OH-OD2 3.24Å; R161-D199 WeakPolarHBondContact CD-OD2 3.22Å; R161-D199 IonicContact CZ-OD1 3.02Å; R161-D199 IonicContact CZ-OD2 2.75Å; R161-D199 IonicContact NE-OD1 3.72Å; R161-D199 PolarHBondContact NE-OD1 2.94Å; R161-D199 IonicContact NE-OD2 2.66Å; R161-D199 PolarHBondContact NE-OD2 2.64Å; R161-D199 IonicContact NH2-OD1 3.84Å; R161-D199 PolarHBondContact NH2-OD1 3.49Å; R161-D199 IonicContact NH2-OD2 3.13Å; R188-D199 HydrophobicContact CB-CB 4.29Å; R188-D199 PolarHBondContact NE-O 2.88Å; R188-D199 PolarHBondContact NH2-O 3.13Å; M189-D199 CarbonylContact O-C 3.53Å; M189-D199 WeakPolarHBondContact O-CA 3.37Å; M189-D199 WeakPolarHBondContact O-CB 3.46Å; K190-D199 WeakPolarHBondContact CA-OD1 3.32Å; V191-D199 PolarHBondContact N-OD1 3.35Å; V191-D199 WeakPolarHBondContact O-CA 3.4Å; V191-D199 PolarHBondContact O-N 2.87Å
200P91.7Very high90.3Very high2 Ų239.5 Ų39.51%0.01324%0.237CC..  trans-60.3149.5-178.524.1-33.2000112.6R188 M189 V191 L193 A202R188-P200 WeakPolarHBondContact CA-O 3.17Å; M189-P200 HydrophobicContact CB-CG 4.24Å; M189-P200 HydrophobicContact CE-CB 3.83Å; M189-P200 HydrophobicContact CE-CG 3.57Å; M189-P200 PolarHBondContact N-O 3.04Å; M189-P200 HydrophobicContact SD-CG 4.38Å; V191-P200 HydrophobicContact CG1-CG 4.15Å; V191-P200 WeakPolarHBondContact O-CD 3.44Å; L193-P200 HydrophobicContact CD1-CB 4.45Å; L193-P200 HydrophobicContact CD1-CG 4.04Å; L193-P200 HydrophobicContact CD2-CG 4.2Å; L193-P200 HydrophobicContact CG-CG 4.1Å; P200-A202 PolarHBondContact O-N 2.86Å
201V94.4Very high90.1Very high29 Ų2941.2 Ų41.218%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-68.4126.4177.4176.40000110.2I150 T186 L187 R188 Y203 T222I150-V201 HydrophobicContact CD1-CG2 4.02Å; T186-V201 HydrophobicContact CG2-CG1 4.07Å; T186-V201 HydrophobicContact CG2-CG2 4.28Å; L187-V201 CarbonylContact O-C 3.6Å; L187-V201 WeakPolarHBondContact O-CA 3.41Å; R188-V201 HydrophobicContact CG-CG2 4.46Å; V201-Y203 VanDerWaalsContact CG1-O 3.28Å; V201-Y203 WeakPolarHBondContact CG1-O 3.21Å; V201-T222 HydrophobicContact CB-CG2 4.25Å; V201-T222 HydrophobicContact CG1-CG2 3.84Å; V201-T222 VanDerWaalsContact O-CG2 3.31Å; V201-T222 WeakPolarHBondContact O-CG2 3.21Å; V201-T222 PolarHBondContact O-OG1 3.01Å
202A97.2Very high90.1Very high0 Ų045.2 Ų45.20%026%0.258CS..EExtended strand (participates in β ladder)trans-89.6-46.2170.600000112.1L187 M189 P200 P221 T222 Y225L187-A202 HydrophobicContact CB-CB 4.45Å; L187-A202 HydrophobicContact CD2-CB 4.1Å; L187-A202 HydrophobicContact CG-CB 4.32Å; L187-A202 PolarHBondContact O-N 3.04Å; M189-A202 HydrophobicContact CG-CB 3.86Å; P200-A202 PolarHBondContact O-N 2.86Å; A202-P221 CarbonylContact O-C 3.44Å; A202-P221 WeakPolarHBondContact O-CA 3.44Å; A202-T222 PolarHBondContact O-N 3.29Å; A202-T222 PolarHBondContact O-OG1 2.86Å; A202-Y225 HydrophobicContact CB-CD2 3.55Å; A202-Y225 HydrophobicContact CB-CE2 4.09Å; A202-Y225 HydrophobicContact CB-CG 3.95Å
203Y98.2Very high90.4Very high2 Ų242.5 Ų42.51%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-130.9143.5179.5-84.8-104.2000111.6L127 Y128 A131 F172 T186 L187 V201 I219 Y220 P221 Y225L127-Y203 VanDerWaalsContact CB-OH 3.27Å; L127-Y203 WeakPolarHBondContact CB-OH 3.4Å; L127-Y203 PolarHBondContact O-OH 3.27Å; Y128-Y203 PolarHBondContact N-OH 2.52Å; Y128-Y203 VanDerWaalsContact N-OH 3.11Å; A131-Y203 HydrophobicContact CB-CD2 4.26Å; A131-Y203 HydrophobicContact CB-CE2 3.86Å; F172-Y203 HydrophobicContact CE2-CD1 4.37Å; F172-Y203 HydrophobicContact CE2-CD2 4.24Å; F172-Y203 AromaticContact CE2-CG 3.94Å; F172-Y203 HydrophobicContact CE2-CG 3.94Å; F172-Y203 HydrophobicContact CZ-CD1 4.3Å; F172-Y203 AromaticContact CZ-CD2 3.96Å; F172-Y203 HydrophobicContact CZ-CD2 3.96Å; F172-Y203 HydrophobicContact CZ-CE2 4.22Å; F172-Y203 HydrophobicContact CZ-CG 4Å; T186-Y203 WeakPolarHBondContact CA-O 3.42Å; T186-Y203 WeakPolarHBondContact CB-O 3.45Å; L187-Y203 HydrophobicContact CD2-CD2 4.09Å; L187-Y203 PolarHBondContact N-O 2.8Å; L187-Y203 PolarHBondContact O-N 2.96Å; V201-Y203 VanDerWaalsContact CG1-O 3.28Å; V201-Y203 WeakPolarHBondContact CG1-O 3.21Å; Y203-I219 HydrophobicContact CD1-CB 3.99Å; Y203-I219 HydrophobicContact CD1-CD1 3.98Å; Y203-I219 HydrophobicContact CD1-CG1 3.99Å; Y203-I219 HydrophobicContact CE1-CD1 4.28Å; Y203-I219 HydrophobicContact CE1-CG1 4.27Å; Y203-Y220 WeakPolarHBondContact CA-O 3.35Å; Y203-Y220 VanDerWaalsContact CD1-C 3.46Å; Y203-P221 HydrophobicContact CD1-CB 4.33Å; Y203-P221 HydrophobicContact CD2-CB 4.25Å; Y203-P221 HydrophobicContact CE1-CB 3.94Å; Y203-P221 HydrophobicContact CE1-CG 4.17Å; Y203-P221 HydrophobicContact CE2-CB 3.85Å; Y203-P221 HydrophobicContact CG-CB 4.48Å; Y203-Y225 HydrophobicContact CD2-CD1 4.43Å; Y203-Y225 HydrophobicContact CD2-CE1 4.34Å; Y203-Y225 AromaticContact CE2-CD1 3.85Å; Y203-Y225 HydrophobicContact CE2-CD1 3.85Å; Y203-Y225 AromaticContact CE2-CE1 3.48Å; Y203-Y225 HydrophobicContact CE2-CE1 3.48Å; Y203-Y225 VanDerWaalsContact CE2-CE1 3.48Å
204R96.6Very high90.9Very high56 Ų5643.6 Ų43.621%0.21125%0.254CS..EExtended strand (participates in β ladder)trans-124.8151.4173.267.1-170.7-177.3-74.7-0.8110.2T90 N91 K206 I219 Y220 P221T90-R204 PolarHBondContact O-NH2 3.44Å; N91-R204 PolarHBondContact OD1-NH2 2.9Å; N91-R204 VanDerWaalsContact OD1-NH2 3.1Å; R204-K206 HydrophobicContact CG-CG 4.47Å; R204-I219 CarbonylContact O-C 3.55Å; R204-I219 WeakPolarHBondContact O-CA 3.3Å; R204-Y220 PolarHBondContact N-O 2.96Å; R204-Y220 PolarHBondContact O-N 3.11Å; R204-P221 PolarHBondContact NH1-O 3.31Å
205I97.1Very high92Very high6 Ų646 Ų463%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-83.8130.7173.8-55.7164.6000108.7M175 I180 D181 E182 A185 M207 C218 I219M175-I205 HydrophobicContact CB-CD1 4.33Å; M175-I205 HydrophobicContact CB-CG1 4.29Å; M175-I205 HydrophobicContact CE-CD1 4.17Å; M175-I205 HydrophobicContact CE-CG1 3.81Å; M175-I205 HydrophobicContact CG-CD1 4.04Å; M175-I205 HydrophobicContact CG-CG1 4.38Å; I180-I205 HydrophobicContact CB-CD1 3.95Å; I180-I205 HydrophobicContact CG2-CD1 3.66Å; D181-I205 WeakPolarHBondContact O-CD1 3.44Å; E182-I205 HydrophobicContact CG-CG2 4.24Å; A185-I205 HydrophobicContact CB-CD1 4.13Å; I205-M207 HydrophobicContact CG2-CE 3.7Å; I205-M207 HydrophobicContact CG2-SD 4.26Å; I205-C218 WeakPolarHBondContact CA-O 3.31Å; I205-I219 HydrophobicContact CG1-CG2 4Å
206K95.4Very high92.9Very high40 Ų4048.1 Ų48.117%0.17426%0.262CS..  trans-140.7122.2167.7-69.9-63.5-167167.50108.1P92 E93 E182 R204 T208 C218 Y220P92-K206 HydrophobicContact CG-CB 4.09Å; E93-K206 WeakPolarHBondContact OE1-CE 3.3Å; E93-K206 IonicContact OE1-NZ 3.63Å; E93-K206 PolarHBondContact OE1-NZ 2.88Å; E93-K206 IonicContact OE2-NZ 3.96Å; E93-K206 PolarHBondContact OE2-NZ 3.31Å; E182-K206 WeakPolarHBondContact OE1-CA 3.18Å; E182-K206 WeakPolarHBondContact OE2-CD 3.43Å; E182-K206 IonicContact OE2-NZ 2.81Å; E182-K206 PolarHBondContact OE2-NZ 2.86Å; R204-K206 HydrophobicContact CG-CG 4.47Å; K206-T208 VanDerWaalsContact C-N 3.28Å; K206-C218 CarbonylContact C-O 3.41Å; K206-C218 PolarHBondContact N-O 2.94Å; K206-C218 CarbonylContact O-C 3.46Å; K206-C218 VanDerWaalsContact O-CA 3.3Å; K206-C218 WeakPolarHBondContact O-CA 3.43Å; K206-Y220 HydrophobicContact CB-CD2 3.69Å; K206-Y220 HydrophobicContact CB-CE2 3.81Å; K206-Y220 HydrophobicContact CG-CD2 4.39Å; K206-Y220 VanDerWaalsContact O-CE2 3.31Å; K206-Y220 WeakPolarHBondContact O-CE2 3.48Å
207M94.3Very high93.7Very high81 Ų8146.3 Ų46.340%0.39924%0.241SC..  trans-83.6-8.5-179.5-60.7-59-176.100112.2I180 E182 I205 P209 C218I180-M207 WeakPolarHBondContact O-CE 3.4Å; E182-M207 HydrophobicContact CG-CG 3.92Å; E182-M207 PolarHBondContact OE1-N 3.3Å; I205-M207 HydrophobicContact CG2-CE 3.7Å; I205-M207 HydrophobicContact CG2-SD 4.26Å; M207-P209 WeakPolarHBondContact O-CD 3.49Å; M207-C218 HydrophobicContact SD-CB 3.83Å
208T94.1Very high94.3Very high47 Ų4743.1 Ų43.129%0.28823%0.229SC..SBendtrans-60.3126170.7-49.10000110.4P92 E93 K206 Y220P92-T208 HydrophobicContact CB-CG2 4.18Å; E93-T208 HydrophobicContact CG-CG2 4.22Å; K206-T208 VanDerWaalsContact C-N 3.28Å; T208-Y220 PolarHBondContact O-OH 3.32Å
209P92.9Very high94.7Very high73 Ų7340.8 Ų40.847%0.47422%0.216SC..PPolyproline II helixtrans-60.6142.2173.8-22.132.9000111.9M207 G214 T215M207-P209 WeakPolarHBondContact O-CD 3.49Å; P209-G214 WeakPolarHBondContact CA-O 3.34Å; P209-T215 HydrophobicContact CB-CG2 4.04Å; P209-T215 HydrophobicContact CG-CG2 3.96Å
210H93.7Very high94.9Very high4 Ų440.8 Ų40.82%0.01922%0.215CC..BIsolated β-bridgetrans-78.1143.8175.1-165.3-108.9000111D89 E95 S121 F124 R212 T213 G214 Y220D89-H210 PolarHBondContact O-NE2 3.4Å; D89-H210 IonicContact OD2-CE1 3.77Å; D89-H210 PolarHBondContact OD2-CE1 2.96Å; E95-H210 IonicContact OE2-CD2 3.99Å; E95-H210 IonicContact OE2-NE2 3.73Å; E95-H210 PolarHBondContact OE2-NE2 3.16Å; S121-H210 WeakPolarHBondContact CB-CE1 3.46Å; F124-H210 AromaticContact CZ-NE2 3.91Å; H210-R212 PolarHBondContact ND1-N 2.94Å; H210-R212 PolarHBondContact O-N 3.5Å; H210-T213 WeakPolarHBondContact CB-OG1 3.45Å; H210-T213 PolarHBondContact ND1-N 3Å; H210-T213 PolarHBondContact ND1-OG1 2.57Å; H210-G214 PolarHBondContact N-O 3.29Å; H210-G214 VanDerWaalsContact O-CA 3.24Å; H210-G214 WeakPolarHBondContact O-CA 3.45Å; H210-G214 PolarHBondContact O-N 3.38Å; H210-Y220 HydrophobicContact CB-CE1 3.87Å; H210-Y220 AromaticContact CD2-CE1 3.77Å; H210-Y220 PolarHBondContact N-OH 3.33Å
211H90Very high95.2Very high83 Ų8340.7 Ų40.738%0.38422%0.215SC..THydrogen-bonded Turntrans-61.5-30.9-178.177.3109.3000113.6D89 E95 F100D89-H211 IonicContact OD2-CE1 3.24Å; D89-H211 IonicContact OD2-NE2 3.67Å; D89-H211 PolarHBondContact OD2-NE2 3.39Å; D89-H211 VanDerWaalsContact OD2-NE2 3.16Å; E95-H211 IonicContact OE2-CD2 2.75Å; E95-H211 PolarHBondContact OE2-CD2 3.01Å; E95-H211 IonicContact OE2-CG 2.96Å; E95-H211 IonicContact OE2-NE2 2.95Å; F100-H211 AromaticContact CE1-CE1 3.6Å; F100-H211 AromaticContact CE2-CE1 3.79Å; F100-H211 AromaticContact CE2-ND1 3.94Å; F100-H211 AromaticContact CZ-CE1 3.09Å; F100-H211 WeakPolarHBondContact CZ-CE1 3.49Å; F100-H211 AromaticContact CZ-ND1 3.7Å; F100-H211 AromaticContact CZ-NE2 3.56Å
212R92.3Very high95.2Very high104 Ų10440.3 Ų40.339%0.39221%0.213SC..THydrogen-bonded Turntrans-100.3-43.1178.9-82.2168.371.494.36115D89 Y119 S121 D122 H210D89-R212 WeakPolarHBondContact OD2-CD 3.46Å; Y119-R212 VanDerWaalsContact CD1-CD 3.48Å; Y119-R212 VanDerWaalsContact CD1-NH1 3.34Å; Y119-R212 VanDerWaalsContact CG-NH1 3.26Å; S121-R212 WeakPolarHBondContact OG-CD 3.32Å; S121-R212 PolarHBondContact OG-NE 2.97Å; D122-R212 IonicContact OD1-CZ 3.67Å; D122-R212 IonicContact OD1-NE 3.85Å; D122-R212 IonicContact OD1-NH2 3.65Å; D122-R212 PolarHBondContact OD1-NH2 3.05Å; D122-R212 IonicContact OD2-NH2 3.46Å; H210-R212 PolarHBondContact ND1-N 2.94Å; H210-R212 PolarHBondContact O-N 3.5Å
213T93.8Very high94.9Very high28 Ų2842.8 Ų42.817%0.17222%0.222CC..THydrogen-bonded Turntrans-97.83.2-172.960.10000111.8F124 H210 T215 E216F124-T213 HydrophobicContact CD2-CG2 4.12Å; F124-T213 HydrophobicContact CE2-CG2 4.45Å; H210-T213 WeakPolarHBondContact CB-OG1 3.45Å; H210-T213 PolarHBondContact ND1-N 3Å; H210-T213 PolarHBondContact ND1-OG1 2.57Å; T213-T215 PolarHBondContact O-N 3.1Å; T213-E216 VanDerWaalsContact O-CB 3.22Å; T213-E216 WeakPolarHBondContact O-CB 3.24Å; T213-E216 PolarHBondContact O-N 3.21Å; T213-E216 VanDerWaalsContact O-N 3.11Å
214G93.8Very high94.5Very high29 Ų2944 Ų4430%0.29923%0.229SC..BIsolated β-bridgetrans54.9-128.5178.800000111.9P209 H210P209-G214 WeakPolarHBondContact CA-O 3.34Å; H210-G214 PolarHBondContact N-O 3.29Å; H210-G214 VanDerWaalsContact O-CA 3.24Å; H210-G214 WeakPolarHBondContact O-CA 3.45Å; H210-G214 PolarHBondContact O-N 3.38Å
215T94.8Very high94.5Very high122 Ų12241.4 Ų41.475%0.74822%0.219SC*.THydrogen-bonded Turntrans-96.612.5-179.658.80000113.5P209 T213 W217P209-T215 HydrophobicContact CB-CG2 4.04Å; P209-T215 HydrophobicContact CG-CG2 3.96Å; T213-T215 PolarHBondContact O-N 3.1Å; T215-W217 PolarHBondContact O-N 3.35Å
216E95.7Very high94.5Very high123 Ų12341.1 Ų41.158%0.57522%0.218SC*.SBendtrans-61.8-31.3177.5-172.3-172.8165.200111.7T213T213-E216 VanDerWaalsContact O-CB 3.22Å; T213-E216 WeakPolarHBondContact O-CB 3.24Å; T213-E216 PolarHBondContact O-N 3.21Å; T213-E216 VanDerWaalsContact O-N 3.11Å
217W96.5Very high94.4Very high8 Ų839.6 Ų39.63%0.0321%0.211CC..  trans-124.5137-178.8-56.490.8000110.4F124 Q125 Y128 K176 T215 I219 Y220F124-W217 HydrophobicContact CB-CD2 4.29Å; F124-W217 HydrophobicContact CB-CZ2 4.21Å; F124-W217 AromaticContact CD2-CD1 3.83Å; F124-W217 HydrophobicContact CD2-CG 4.11Å; Q125-W217 HydrophobicContact CB-CH2 4.42Å; Q125-W217 HydrophobicContact CB-CZ2 4.05Å; Q125-W217 VanDerWaalsContact OE1-CH2 3.26Å; Y128-W217 HydrophobicContact CD1-CH2 4.28Å; Y128-W217 HydrophobicContact CD1-CZ3 4.28Å; Y128-W217 HydrophobicContact CD2-CZ3 4Å; Y128-W217 HydrophobicContact CG-CH2 4.02Å; Y128-W217 AromaticContact CG-CZ3 3.73Å; Y128-W217 HydrophobicContact CG-CZ3 3.73Å; K176-W217 HydrophobicContact CD-CE3 4.49Å; K176-W217 HydrophobicContact CD-CZ3 3.93Å; K176-W217 HydrophobicContact CG-CE3 4.36Å; K176-W217 HydrophobicContact CG-CZ3 4.27Å; T215-W217 PolarHBondContact O-N 3.35Å; W217-I219 HydrophobicContact CE3-CG1 4.47Å; W217-Y220 HydrophobicContact CB-CE1 4.4Å; W217-Y220 PolarHBondContact O-OH 2.88Å; W217-Y220 VanDerWaalsContact O-OH 3.1Å
218C96.2Very high94.5Very high18 Ų1835.8 Ų35.812%0.12219%0.193CC..SBendtrans-121.77.4165.764.70000112.1M175 K176 I205 K206 M207M175-C218 PolarHBondContact O-SG 3.46Å; K176-C218 PolarHBondContact O-SG 3.36Å; I205-C218 WeakPolarHBondContact CA-O 3.31Å; K206-C218 CarbonylContact C-O 3.41Å; K206-C218 PolarHBondContact N-O 2.94Å; K206-C218 CarbonylContact O-C 3.46Å; K206-C218 VanDerWaalsContact O-CA 3.3Å; K206-C218 WeakPolarHBondContact O-CA 3.43Å; M207-C218 HydrophobicContact SD-CB 3.83Å
219I97.8Very high94.7Very high1 Ų133.6 Ų33.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-120133.8169.659169.9000108.6Y128 F172 M175 K176 Y203 R204 I205 W217Y128-I219 HydrophobicContact CD2-CD1 3.99Å; Y128-I219 HydrophobicContact CE2-CD1 3.99Å; F172-I219 HydrophobicContact CD2-CD1 4.32Å; F172-I219 HydrophobicContact CE2-CD1 3.62Å; F172-I219 HydrophobicContact CZ-CD1 3.75Å; M175-I219 HydrophobicContact CB-CG2 3.75Å; M175-I219 HydrophobicContact CE-CG2 4.38Å; M175-I219 WeakPolarHBondContact O-CG2 3.37Å; K176-I219 HydrophobicContact CB-CD1 3.67Å; K176-I219 HydrophobicContact CB-CG1 4.16Å; K176-I219 HydrophobicContact CG-CD1 4.23Å; K176-I219 HydrophobicContact CG-CG1 4.42Å; Y203-I219 HydrophobicContact CD1-CB 3.99Å; Y203-I219 HydrophobicContact CD1-CD1 3.98Å; Y203-I219 HydrophobicContact CD1-CG1 3.99Å; Y203-I219 HydrophobicContact CE1-CD1 4.28Å; Y203-I219 HydrophobicContact CE1-CG1 4.27Å; R204-I219 CarbonylContact O-C 3.55Å; R204-I219 WeakPolarHBondContact O-CA 3.3Å; I205-I219 HydrophobicContact CG1-CG2 4Å; W217-I219 HydrophobicContact CE3-CG1 4.47Å
220Y97.3Very high95Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-125.9134.1-176.3-62.2-86.8000110.6P92 F124 Y203 R204 K206 T208 H210 W217P92-Y220 HydrophobicContact CB-CE1 4.3Å; P92-Y220 HydrophobicContact CB-CE2 4.33Å; P92-Y220 HydrophobicContact CG-CD1 4.49Å; P92-Y220 HydrophobicContact CG-CD2 3.97Å; P92-Y220 HydrophobicContact CG-CE1 4.18Å; P92-Y220 HydrophobicContact CG-CE2 3.59Å; P92-Y220 HydrophobicContact CG-CG 4.37Å; F124-Y220 AromaticContact CE2-CD1 3.88Å; F124-Y220 HydrophobicContact CE2-CD1 3.88Å; F124-Y220 AromaticContact CE2-CE1 3.93Å; F124-Y220 HydrophobicContact CE2-CE1 3.93Å; F124-Y220 AromaticContact CZ-CD1 4Å; F124-Y220 HydrophobicContact CZ-CD1 4Å; F124-Y220 HydrophobicContact CZ-CE1 4.42Å; Y203-Y220 WeakPolarHBondContact CA-O 3.35Å; Y203-Y220 VanDerWaalsContact CD1-C 3.46Å; R204-Y220 PolarHBondContact N-O 2.96Å; R204-Y220 PolarHBondContact O-N 3.11Å; K206-Y220 HydrophobicContact CB-CD2 3.69Å; K206-Y220 HydrophobicContact CB-CE2 3.81Å; K206-Y220 HydrophobicContact CG-CD2 4.39Å; K206-Y220 VanDerWaalsContact O-CE2 3.31Å; K206-Y220 WeakPolarHBondContact O-CE2 3.48Å; T208-Y220 PolarHBondContact O-OH 3.32Å; H210-Y220 HydrophobicContact CB-CE1 3.87Å; H210-Y220 AromaticContact CD2-CE1 3.77Å; H210-Y220 PolarHBondContact N-OH 3.33Å; W217-Y220 HydrophobicContact CB-CE1 4.4Å; W217-Y220 PolarHBondContact O-OH 2.88Å; W217-Y220 VanDerWaalsContact O-OH 3.1Å
221P97.8Very high95.2Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-67.7154.2176.229.4-32.8000110.7T90 F124 L127 A202 Y203 R204 Y225 T226T90-P221 HydrophobicContact CG2-CG 4.45Å; F124-P221 HydrophobicContact CD1-CG 4.2Å; F124-P221 HydrophobicContact CE1-CG 4.09Å; L127-P221 HydrophobicContact CD1-CG 4.09Å; A202-P221 CarbonylContact O-C 3.44Å; A202-P221 WeakPolarHBondContact O-CA 3.44Å; Y203-P221 HydrophobicContact CD1-CB 4.33Å; Y203-P221 HydrophobicContact CD2-CB 4.25Å; Y203-P221 HydrophobicContact CE1-CB 3.94Å; Y203-P221 HydrophobicContact CE1-CG 4.17Å; Y203-P221 HydrophobicContact CE2-CB 3.85Å; Y203-P221 HydrophobicContact CG-CB 4.48Å; R204-P221 PolarHBondContact NH1-O 3.31Å; P221-Y225 HydrophobicContact CB-CD1 3.65Å; P221-Y225 HydrophobicContact CB-CE1 4.39Å; P221-Y225 HydrophobicContact CB-CG 4.5Å; P221-T226 WeakPolarHBondContact CB-OG1 3.21Å; P221-T226 WeakPolarHBondContact CG-OG1 3.24Å
222T94.8Very high95.6Very high22 Ų2226.4 Ų26.414%0.13514%0.141CC..  trans-83.9159.6173.461.60000110.5V201 A202 D224 Y225 T226V201-T222 HydrophobicContact CB-CG2 4.25Å; V201-T222 HydrophobicContact CG1-CG2 3.84Å; V201-T222 VanDerWaalsContact O-CG2 3.31Å; V201-T222 WeakPolarHBondContact O-CG2 3.21Å; V201-T222 PolarHBondContact O-OG1 3.01Å; A202-T222 PolarHBondContact O-N 3.29Å; A202-T222 PolarHBondContact O-OG1 2.86Å; T222-D224 VanDerWaalsContact C-N 3.29Å; T222-D224 PolarHBondContact O-N 3.13Å; T222-Y225 WeakPolarHBondContact O-CB 3.15Å; T222-Y225 PolarHBondContact O-N 2.98Å; T222-T226 PolarHBondContact O-N 3.46Å; T222-T226 PolarHBondContact O-OG1 2.78Å; T222-T226 VanDerWaalsContact O-OG1 3.08Å
223Y89.9Confident95.9Very high51 Ų5124.2 Ų24.220%0.214%0.136CC..Hα-helixtrans-50.8-48.1174.6-177.2-89.2000112.7D88 Y225 T226 H227 F245D88-Y223 VanDerWaalsContact OD2-CE2 3.3Å; D88-Y223 WeakPolarHBondContact OD2-CE2 3.24Å; Y223-Y225 PolarHBondContact O-N 3.03Å; Y223-T226 PolarHBondContact O-N 3.46Å; Y223-H227 HydrophobicContact CE1-CB 4.25Å; Y223-H227 HydrophobicContact CE2-CB 4.49Å; Y223-H227 AromaticContact CE2-ND1 3.65Å; Y223-H227 AromaticContact CZ-CE1 3.87Å; Y223-H227 AromaticContact CZ-CG 3.84Å; Y223-H227 AromaticContact CZ-ND1 3.55Å; Y223-H227 WeakPolarHBondContact O-CB 3.17Å; Y223-H227 PolarHBondContact O-N 2.74Å; Y223-H227 PolarHBondContact OH-CE1 3.42Å; Y223-H227 PolarHBondContact OH-ND1 2.9Å; Y223-F245 HydrophobicContact CD1-CE1 4.09Å; Y223-F245 AromaticContact CE1-CD1 3.74Å; Y223-F245 HydrophobicContact CE1-CD1 3.74Å; Y223-F245 AromaticContact CE1-CE1 3.42Å; Y223-F245 HydrophobicContact CE1-CE1 3.42Å; Y223-F245 VanDerWaalsContact CE1-CE1 3.42Å; Y223-F245 HydrophobicContact CE1-CZ 4.18Å; Y223-F245 AromaticContact CZ-CE1 3.88Å
224D89.9Confident96Very high29 Ų2923.7 Ų23.716%0.15513%0.132CC..Hα-helixtrans-58.2-30.6179.4-75.6-15000112.3M189 T222 R248 L255M189-D224 HydrophobicContact CE-CB 4.43Å; T222-D224 VanDerWaalsContact C-N 3.29Å; T222-D224 PolarHBondContact O-N 3.13Å; D224-R248 WeakPolarHBondContact OD1-CD 3.31Å; D224-R248 IonicContact OD1-NE 3.74Å; D224-R248 IonicContact OD2-CZ 2.7Å; D224-R248 IonicContact OD2-NE 2.73Å; D224-R248 IonicContact OD2-NH1 3.66Å; D224-R248 PolarHBondContact OD2-NH1 3.33Å; D224-L255 VanDerWaalsContact O-CD1 3.26Å; D224-L255 WeakPolarHBondContact O-CD1 3.34Å
225Y96.3Very high96.2Very high0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-83.9-47.3177-175.8-96.9000112.3L127 A131 L134 M189 A202 Y203 P221 T222 Y223 L229 L255L127-Y225 HydrophobicContact CB-CE1 4.08Å; L127-Y225 HydrophobicContact CD2-CD1 4.39Å; L127-Y225 HydrophobicContact CD2-CE1 4.03Å; L127-Y225 PolarHBondContact O-OH 2.95Å; A131-Y225 VanDerWaalsContact CA-OH 3.29Å; A131-Y225 WeakPolarHBondContact CA-OH 3.46Å; A131-Y225 WeakPolarHBondContact CB-OH 3.39Å; A131-Y225 PolarHBondContact N-OH 3.26Å; L134-Y225 HydrophobicContact CD1-CE2 3.78Å; M189-Y225 HydrophobicContact SD-CD2 4.32Å; A202-Y225 HydrophobicContact CB-CD2 3.55Å; A202-Y225 HydrophobicContact CB-CE2 4.09Å; A202-Y225 HydrophobicContact CB-CG 3.95Å; Y203-Y225 HydrophobicContact CD2-CD1 4.43Å; Y203-Y225 HydrophobicContact CD2-CE1 4.34Å; Y203-Y225 AromaticContact CE2-CD1 3.85Å; Y203-Y225 HydrophobicContact CE2-CD1 3.85Å; Y203-Y225 AromaticContact CE2-CE1 3.48Å; Y203-Y225 HydrophobicContact CE2-CE1 3.48Å; Y203-Y225 VanDerWaalsContact CE2-CE1 3.48Å; P221-Y225 HydrophobicContact CB-CD1 3.65Å; P221-Y225 HydrophobicContact CB-CE1 4.39Å; P221-Y225 HydrophobicContact CB-CG 4.5Å; T222-Y225 WeakPolarHBondContact O-CB 3.15Å; T222-Y225 PolarHBondContact O-N 2.98Å; Y223-Y225 PolarHBondContact O-N 3.03Å; Y225-L229 HydrophobicContact CD1-CD1 3.96Å; Y225-L229 HydrophobicContact CD2-CD1 4.19Å; Y225-L229 HydrophobicContact CE1-CD1 3.56Å; Y225-L229 HydrophobicContact CE2-CD1 3.81Å; Y225-L229 HydrophobicContact CG-CD1 4.26Å; Y225-L229 VanDerWaalsContact CZ-CD1 3.48Å; Y225-L229 VanDerWaalsContact O-CD1 3.24Å; Y225-L229 WeakPolarHBondContact O-CD1 3.3Å; Y225-L229 WeakPolarHBondContact O-CG 3Å; Y225-L255 HydrophobicContact CD2-CD1 4.31Å; Y225-L255 HydrophobicContact CD2-CD2 3.79Å; Y225-L255 HydrophobicContact CE2-CD2 3.85Å
226T97.1Very high96.4Very high1 Ų117.8 Ų17.81%0.0069%0.088CC..Hα-helixtrans-70.6-44.1-171.4-56.40000112.8T90 A120 L127 P221 T222 Y223 C228 L229 C230T90-T226 HydrophobicContact CG2-CG2 3.66Å; A120-T226 HydrophobicContact CB-CG2 3.79Å; L127-T226 HydrophobicContact CD1-CG2 3.79Å; P221-T226 WeakPolarHBondContact CB-OG1 3.21Å; P221-T226 WeakPolarHBondContact CG-OG1 3.24Å; T222-T226 PolarHBondContact O-N 3.46Å; T222-T226 PolarHBondContact O-OG1 2.78Å; T222-T226 VanDerWaalsContact O-OG1 3.08Å; Y223-T226 PolarHBondContact O-N 3.46Å; T226-C228 PolarHBondContact O-N 2.97Å; T226-L229 PolarHBondContact O-N 3.45Å; T226-L229 VanDerWaalsContact O-N 3.15Å; T226-C230 VanDerWaalsContact CG2-SG 3.5Å; T226-C230 PolarHBondContact O-N 2.89Å
227H94.3Very high96.5Very high8 Ų811.9 Ų11.94%0.0376%0.061CC..Hα-helixtrans-61.5-51.7-160.3-16581.9000112.8R52 R86 D88 Y223 L229 D231R52-H227 PolarHBondContact NH2-CD2 3.14Å; R52-H227 PolarHBondContact NH2-NE2 3.37Å; R86-H227 PolarHBondContact NH2-CE1 3.2Å; R86-H227 PolarHBondContact NH2-ND1 3.41Å; R86-H227 VanDerWaalsContact NH2-ND1 3.19Å; D88-H227 IonicContact OD2-CE1 3.87Å; D88-H227 PolarHBondContact OD2-CE1 2.87Å; D88-H227 IonicContact OD2-ND1 2.87Å; D88-H227 PolarHBondContact OD2-ND1 2.88Å; Y223-H227 HydrophobicContact CE1-CB 4.25Å; Y223-H227 HydrophobicContact CE2-CB 4.49Å; Y223-H227 AromaticContact CE2-ND1 3.65Å; Y223-H227 AromaticContact CZ-CE1 3.87Å; Y223-H227 AromaticContact CZ-CG 3.84Å; Y223-H227 AromaticContact CZ-ND1 3.55Å; Y223-H227 WeakPolarHBondContact O-CB 3.17Å; Y223-H227 PolarHBondContact O-N 2.74Å; Y223-H227 PolarHBondContact OH-CE1 3.42Å; Y223-H227 PolarHBondContact OH-ND1 2.9Å; H227-L229 VanDerWaalsContact C-N 3.29Å; H227-L229 PolarHBondContact O-N 3.06Å; H227-D231 IonicContact CD2-OD2 2.56Å; H227-D231 PolarHBondContact O-N 3.21Å; H227-D231 VanDerWaalsContact O-N 3.08Å
228C95.8Very high96.5Very high1 Ų111.5 Ų11.51%0.0076%0.06CC..Hα-helixtrans-65.7-32179.166.40000113.7T226 D231 S232 Y252 L255T226-C228 PolarHBondContact O-N 2.97Å; C228-D231 WeakPolarHBondContact O-CB 3.11Å; C228-D231 PolarHBondContact O-N 3.13Å; C228-S232 PolarHBondContact O-N 3.17Å; C228-Y252 VanDerWaalsContact CA-CE2 3.48Å; C228-Y252 HydrophobicContact CB-CD1 3.56Å; C228-Y252 HydrophobicContact CB-CD2 3.36Å; C228-Y252 HydrophobicContact CB-CE1 3.63Å; C228-Y252 HydrophobicContact CB-CE2 3.41Å; C228-Y252 VanDerWaalsContact CB-CE2 3.41Å; C228-Y252 HydrophobicContact CB-CG 3.39Å; C228-L255 VanDerWaalsContact SG-CB 3.53Å; C228-L255 WeakPolarHBondContact SG-CD1 3.29Å
229L98.4Very high96.5Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-74.1-44.7-178.3-63.1-174.6000110.4L127 W130 Y225 T226 H227 D231 S232 I233 L255 L259 I261L127-L229 HydrophobicContact CD2-CB 3.48Å; L127-L229 VanDerWaalsContact CD2-CB 3.48Å; L127-L229 HydrophobicContact CD2-CD1 3.71Å; L127-L229 HydrophobicContact CD2-CG 4.22Å; W130-L229 HydrophobicContact CE3-CB 3.94Å; W130-L229 HydrophobicContact CE3-CD1 4Å; W130-L229 HydrophobicContact CE3-CD2 4.02Å; W130-L229 HydrophobicContact CE3-CG 4.18Å; W130-L229 HydrophobicContact CZ3-CB 3.76Å; W130-L229 HydrophobicContact CZ3-CD2 4.16Å; W130-L229 HydrophobicContact CZ3-CG 4.38Å; Y225-L229 HydrophobicContact CD1-CD1 3.96Å; Y225-L229 HydrophobicContact CD2-CD1 4.19Å; Y225-L229 HydrophobicContact CE1-CD1 3.56Å; Y225-L229 HydrophobicContact CE2-CD1 3.81Å; Y225-L229 HydrophobicContact CG-CD1 4.26Å; Y225-L229 VanDerWaalsContact CZ-CD1 3.48Å; Y225-L229 VanDerWaalsContact O-CD1 3.24Å; Y225-L229 WeakPolarHBondContact O-CD1 3.3Å; Y225-L229 WeakPolarHBondContact O-CG 3Å; T226-L229 PolarHBondContact O-N 3.45Å; T226-L229 VanDerWaalsContact O-N 3.15Å; H227-L229 VanDerWaalsContact C-N 3.29Å; H227-L229 PolarHBondContact O-N 3.06Å; L229-D231 VanDerWaalsContact C-N 3.27Å; L229-D231 PolarHBondContact O-N 2.8Å; L229-S232 WeakPolarHBondContact O-CB 3.37Å; L229-S232 PolarHBondContact O-N 3.09Å; L229-I233 WeakPolarHBondContact O-CG1 3.41Å; L229-I233 PolarHBondContact O-N 3.03Å; L229-L255 HydrophobicContact CD2-CB 4.22Å; L229-L259 HydrophobicContact CD1-CD1 4.09Å; L229-L259 HydrophobicContact CD2-CD1 3.46Å; L229-L259 VanDerWaalsContact CD2-CD1 3.46Å; L229-L259 HydrophobicContact CG-CD1 4.45Å; L229-I261 HydrophobicContact CD2-CD1 3.65Å
230C98.3Very high96.3Very high0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-59.3-39.6170.5-71.30000111.5T226 S232 I233 E234T226-C230 VanDerWaalsContact CG2-SG 3.5Å; T226-C230 PolarHBondContact O-N 2.89Å; C230-S232 VanDerWaalsContact C-N 3.31Å; C230-S232 PolarHBondContact O-N 3.01Å; C230-I233 PolarHBondContact O-N 3.02Å; C230-I233 VanDerWaalsContact O-N 3.16Å; C230-E234 WeakPolarHBondContact O-CB 3.34Å; C230-E234 WeakPolarHBondContact O-CG 3.28Å; C230-E234 PolarHBondContact O-N 3.37Å
231D98.2Very high96.1Very high0 Ų011.2 Ų11.20%06%0.058CC..Hα-helixtrans-63.5-37.7176.8-60.9-11.7000113.2R52 R86 H227 C228 L229 N235 I236 S239 Y252 P264R52-D231 WeakPolarHBondContact CD-OD1 3.3Å; R52-D231 IonicContact CZ-OD1 2.99Å; R52-D231 IonicContact CZ-OD2 3.67Å; R52-D231 IonicContact NE-OD1 2.85Å; R52-D231 PolarHBondContact NE-OD1 3.27Å; R52-D231 IonicContact NE-OD2 3.62Å; R52-D231 IonicContact NH1-OD1 3.94Å; R52-D231 PolarHBondContact NH1-OD1 3.02Å; R52-D231 IonicContact NH1-OD2 2.76Å; R52-D231 PolarHBondContact NH1-OD2 2.87Å; R52-D231 VanDerWaalsContact NH2-CG 3.32Å; R52-D231 IonicContact NH2-OD1 2.84Å; R52-D231 PolarHBondContact NH2-OD1 3.1Å; R52-D231 IonicContact NH2-OD2 3.79Å; R52-D231 PolarHBondContact NH2-OD2 3.05Å; R86-D231 IonicContact CZ-OD1 2.73Å; R86-D231 VanDerWaalsContact CZ-OD1 3.25Å; R86-D231 IonicContact NH1-OD1 3.63Å; R86-D231 PolarHBondContact NH1-OD1 3.01Å; R86-D231 IonicContact NH2-OD1 3.74Å; R86-D231 PolarHBondContact NH2-OD1 2.83Å; H227-D231 IonicContact CD2-OD2 2.56Å; H227-D231 PolarHBondContact O-N 3.21Å; H227-D231 VanDerWaalsContact O-N 3.08Å; C228-D231 WeakPolarHBondContact O-CB 3.11Å; C228-D231 PolarHBondContact O-N 3.13Å; L229-D231 VanDerWaalsContact C-N 3.27Å; L229-D231 PolarHBondContact O-N 2.8Å; D231-N235 PolarHBondContact O-N 3.2Å; D231-N235 VanDerWaalsContact O-N 3.16Å; D231-I236 HydrophobicContact CB-CB 4.06Å; D231-I236 HydrophobicContact CB-CG1 3.96Å; D231-I236 PolarHBondContact O-N 2.9Å; D231-S239 PolarHBondContact OD2-OG 2.89Å; D231-Y252 WeakPolarHBondContact CB-OH 3.39Å; D231-Y252 VanDerWaalsContact CG-OH 3.27Å; D231-Y252 VanDerWaalsContact OD2-CE2 3.32Å; D231-Y252 WeakPolarHBondContact OD2-CE2 3.45Å; D231-Y252 VanDerWaalsContact OD2-CZ 3.32Å; D231-Y252 PolarHBondContact OD2-OH 2.91Å; D231-P264 HydrophobicContact CB-CB 4.39Å; D231-P264 HydrophobicContact CB-CG 3.69Å
232S98.1Very high95.8Very high10 Ų1012.5 Ų12.57%0.077%0.065CC..Hα-helixtrans-64.8-42.6173.3178.10000111.3C228 L229 C230 E234 N235 Y262C228-S232 PolarHBondContact O-N 3.17Å; L229-S232 WeakPolarHBondContact O-CB 3.37Å; L229-S232 PolarHBondContact O-N 3.09Å; C230-S232 VanDerWaalsContact C-N 3.31Å; C230-S232 PolarHBondContact O-N 3.01Å; S232-E234 VanDerWaalsContact C-N 3.35Å; S232-N235 PolarHBondContact O-N 3.34Å; S232-Y262 WeakPolarHBondContact CB-O 3.44Å; S232-Y262 PolarHBondContact OG-N 3.38Å; S232-Y262 PolarHBondContact OG-O 3.02Å
233I98Very high95.5Very high58 Ų5815 Ų1530%0.2977%0.074SC..Hα-helixtrans-63.8-43.7179.7-67.6166.8000110.3N123 Q126 W130 L229 C230 N235N123-I233 HydrophobicContact CB-CD1 3.9Å; Q126-I233 HydrophobicContact CB-CD1 4.45Å; Q126-I233 HydrophobicContact CG-CD1 4.16Å; W130-I233 HydrophobicContact CH2-CD1 3.9Å; W130-I233 HydrophobicContact CH2-CG1 3.52Å; W130-I233 HydrophobicContact CZ3-CD1 3.74Å; W130-I233 HydrophobicContact CZ3-CG1 3.8Å; L229-I233 WeakPolarHBondContact O-CG1 3.41Å; L229-I233 PolarHBondContact O-N 3.03Å; C230-I233 PolarHBondContact O-N 3.02Å; C230-I233 VanDerWaalsContact O-N 3.16Å; I233-N235 PolarHBondContact O-N 3.38Å
234E97.6Very high95.3Very high17 Ų1717 Ų178%0.0799%0.085CC..THydrogen-bonded Turntrans-823.9-178.1-66.1175.2154.800113.4Y84 R86 T118 C230 S232 I236Y84-E234 HydrophobicContact CE1-CG 4.48Å; R86-E234 WeakPolarHBondContact CD-OE1 3.33Å; R86-E234 WeakPolarHBondContact CD-OE2 3.01Å; R86-E234 IonicContact CZ-OE2 3.76Å; R86-E234 IonicContact NE-OE2 3.36Å; R86-E234 IonicContact NH1-OE2 2.78Å; R86-E234 PolarHBondContact NH1-OE2 3.21Å; T118-E234 VanDerWaalsContact CB-OE1 3.24Å; T118-E234 WeakPolarHBondContact CB-OE1 3.34Å; T118-E234 PolarHBondContact OG1-OE1 3.1Å; C230-E234 WeakPolarHBondContact O-CB 3.34Å; C230-E234 WeakPolarHBondContact O-CG 3.28Å; C230-E234 PolarHBondContact O-N 3.37Å; S232-E234 VanDerWaalsContact C-N 3.35Å; E234-I236 VanDerWaalsContact C-N 3.25Å; E234-I236 HydrophobicContact CB-CD1 3.88Å; E234-I236 HydrophobicContact CB-CG1 4Å; E234-I236 PolarHBondContact O-N 2.81Å
235N97.4Very high95.1Very high26 Ų2618.5 Ų18.514%0.1399%0.091CC..THydrogen-bonded Turntrans53.242.1-178-77.5-59.9000112.8H41 Q44 T45 V50 D231 S232 I233 T237H41-N235 PolarHBondContact CE1-O 3.36Å; H41-N235 PolarHBondContact ND1-OD1 2.89Å; Q44-N235 PolarHBondContact OE1-ND2 3.04Å; Q44-N235 PolarHBondContact OE1-OD1 3.21Å; T45-N235 HydrophobicContact CG2-CB 3.56Å; V50-N235 WeakPolarHBondContact CB-O 3.25Å; D231-N235 PolarHBondContact O-N 3.2Å; D231-N235 VanDerWaalsContact O-N 3.16Å; S232-N235 PolarHBondContact O-N 3.34Å; I233-N235 PolarHBondContact O-N 3.38Å; N235-T237 PolarHBondContact O-N 2.71Å
236I98.1Very high94.7Very high0 Ų022 Ų220%011%0.107CC..  trans-67.1130.5176.9-51-64.6000109.1V50 R52 Y84 D231 E234 Y262 P264V50-I236 HydrophobicContact CG1-CD1 3.79Å; V50-I236 WeakPolarHBondContact O-CG2 3.16Å; R52-I236 HydrophobicContact CB-CD1 4.04Å; R52-I236 HydrophobicContact CG-CD1 4.4Å; Y84-I236 HydrophobicContact CD2-CD1 4.3Å; D231-I236 HydrophobicContact CB-CB 4.06Å; D231-I236 HydrophobicContact CB-CG1 3.96Å; D231-I236 PolarHBondContact O-N 2.9Å; E234-I236 VanDerWaalsContact C-N 3.25Å; E234-I236 HydrophobicContact CB-CD1 3.88Å; E234-I236 HydrophobicContact CB-CG1 4Å; E234-I236 PolarHBondContact O-N 2.81Å; I236-Y262 WeakPolarHBondContact O-CE1 3.25Å; I236-Y262 PolarHBondContact O-OH 2.88Å; I236-P264 WeakPolarHBondContact O-CB 3.1Å; I236-P264 WeakPolarHBondContact O-CG 3.37Å
237T97.6Very high94.2Very high0 Ų024.5 Ų24.50%012%0.124CC..SBendtrans-87.1-47177.659.60000110.6H17 P19 V50 N235 V265H17-T237 PolarHBondContact CE1-O 3.34Å; H17-T237 PolarHBondContact NE2-O 2.88Å; P19-T237 HydrophobicContact CB-CG2 4.21Å; P19-T237 HydrophobicContact CG-CG2 4.28Å; V50-T237 HydrophobicContact CB-CG2 4.2Å; V50-T237 HydrophobicContact CG2-CG2 4.32Å; V50-T237 PolarHBondContact N-OG1 2.8Å; V50-T237 PolarHBondContact O-N 3.2Å; V50-T237 PolarHBondContact O-OG1 3.29Å; N235-T237 PolarHBondContact O-N 2.71Å; T237-V265 PolarHBondContact O-N 3.44Å
238H96.6Very high93.8Very high0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-120100.9-175.9-61.972.7000109F16 H17 V50 T51 Y75 L240F16-H238 AromaticContact CD2-CD2 3.77Å; H17-H238 AromaticContact CE1-CD2 3.56Å; H17-H238 AromaticContact CE1-CE1 3.75Å; H17-H238 AromaticContact CE1-CG 3.89Å; H17-H238 AromaticContact CE1-NE2 3.49Å; H17-H238 PolarHBondContact CE1-NE2 3.43Å; H17-H238 AromaticContact ND1-CD2 3.8Å; H17-H238 AromaticContact ND1-NE2 3.54Å; H17-H238 PolarHBondContact O-CE1 3.44Å; H17-H238 PolarHBondContact O-NE2 2.96Å; V50-H238 PolarHBondContact O-N 3.1Å; T51-H238 HydrophobicContact CG2-CB 4.14Å; Y75-H238 HydrophobicContact CE1-CB 4.36Å; Y75-H238 AromaticContact CE1-CD2 3.5Å; Y75-H238 AromaticContact CE1-CE1 3.83Å; Y75-H238 AromaticContact CE1-CG 3.69Å; Y75-H238 AromaticContact CE1-ND1 3.86Å; Y75-H238 AromaticContact CE1-NE2 3.58Å; Y75-H238 AromaticContact CZ-CD2 3.79Å; Y75-H238 AromaticContact CZ-NE2 3.68Å; Y75-H238 PolarHBondContact OH-CD2 2.79Å; Y75-H238 PolarHBondContact OH-NE2 3.22Å; H238-L240 HydrophobicContact CB-CD2 3.9Å; H238-L240 HydrophobicContact CB-CG 4.21Å; H238-L240 PolarHBondContact O-N 3.08Å; H238-L240 VanDerWaalsContact O-N 3.15Å
239S96.4Very high93.6Very high0 Ų029.6 Ų29.60%014%0.143CC..EExtended strand (participates in β ladder)trans-83.383.3176.8167.10000109.4R52 D231 V265 Q266 W267R52-S239 VanDerWaalsContact NH1-CB 3.32Å; R52-S239 PolarHBondContact NH1-OG 3.4Å; R52-S239 PolarHBondContact NH2-OG 3.12Å; D231-S239 PolarHBondContact OD2-OG 2.89Å; S239-V265 WeakPolarHBondContact CB-O 3.38Å; S239-V265 PolarHBondContact N-O 3.35Å; S239-Q266 WeakPolarHBondContact O-CA 3.48Å; S239-W267 PolarHBondContact O-N 2.95Å
240L94.7Very high93.1Very high4 Ų432.4 Ų32.42%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-85.1115.7-174.4-47.8179000111.3F16 T51 F71 N72 H238 W267 Y269F16-L240 HydrophobicContact CD2-CD2 4.33Å; F16-L240 HydrophobicContact CE2-CD2 3.52Å; F16-L240 HydrophobicContact CZ-CD2 4.14Å; T51-L240 HydrophobicContact CG2-CD1 4.35Å; F71-L240 HydrophobicContact CD1-CB 4.37Å; F71-L240 HydrophobicContact CD1-CD1 3.94Å; F71-L240 HydrophobicContact CD2-CD1 4.06Å; F71-L240 HydrophobicContact CE1-CB 4.26Å; F71-L240 HydrophobicContact CE1-CD1 3.83Å; F71-L240 HydrophobicContact CE1-CD2 4.19Å; F71-L240 HydrophobicContact CE1-CG 4.32Å; F71-L240 HydrophobicContact CE2-CD1 3.92Å; F71-L240 HydrophobicContact CG-CD1 4.07Å; F71-L240 HydrophobicContact CZ-CD1 3.84Å; F71-L240 HydrophobicContact CZ-CD2 4.17Å; N72-L240 WeakPolarHBondContact OD1-CB 3.33Å; H238-L240 HydrophobicContact CB-CD2 3.9Å; H238-L240 HydrophobicContact CB-CG 4.21Å; H238-L240 PolarHBondContact O-N 3.08Å; H238-L240 VanDerWaalsContact O-N 3.15Å; L240-W267 WeakPolarHBondContact CA-O 3.3Å; L240-W267 HydrophobicContact CD2-CB 3.8Å; L240-Y269 HydrophobicContact CB-CD1 4.48Å; L240-Y269 HydrophobicContact CB-CE1 4.03Å
241C92.7Very high92.7Very high9 Ų932.4 Ų32.46%0.06116%0.162CC..EExtended strand (participates in β ladder)trans-133.2170.8179.566.30000112.6F245 Q266 W267 E268 Y269C241-F245 HydrophobicContact CB-CD2 4.33Å; C241-Q266 VanDerWaalsContact SG-CD 3.59Å; C241-Q266 VanDerWaalsContact SG-CG 3.52Å; C241-W267 PolarHBondContact N-O 3.44Å; C241-E268 CarbonylContact O-C 3.56Å; C241-E268 WeakPolarHBondContact O-CA 3.34Å; C241-Y269 VanDerWaalsContact C-CE1 3.47Å; C241-Y269 WeakPolarHBondContact O-CD1 3.28Å; C241-Y269 WeakPolarHBondContact O-CE1 3.43Å; C241-Y269 PolarHBondContact O-N 3.41Å
242T90.8Very high92.5Very high26 Ų2632.8 Ų32.816%0.1616%0.163CC..EExtended strand (participates in β ladder)trans-79155.117658.30000111.2E244 F245 Y269 R271T242-E244 PolarHBondContact O-N 3.35Å; T242-F245 PolarHBondContact O-N 3.47Å; T242-Y269 CarbonylContact C-O 3.45Å; T242-Y269 VanDerWaalsContact CA-O 3.3Å; T242-Y269 WeakPolarHBondContact CA-O 3.43Å; T242-Y269 HydrophobicContact CG2-CE2 3.9Å; T242-R271 HydrophobicContact CG2-CB 4.26Å
243K89Confident92.4Very high75 Ų7532.6 Ų32.633%0.32616%0.161SC..G310 helixtrans-53.3-22.3-179.6-169.4176.5-174.7173.70115.1F245 Q246 Y269 M328K243-F245 PolarHBondContact O-N 2.86Å; K243-F245 VanDerWaalsContact O-N 3.13Å; K243-Q246 VanDerWaalsContact O-CB 3.26Å; K243-Q246 WeakPolarHBondContact O-CB 3.09Å; K243-Q246 PolarHBondContact O-N 3.06Å; K243-Y269 PolarHBondContact N-O 3.33Å; K243-M328 WeakPolarHBondContact CD-O 3.43Å; K243-M328 PolarHBondContact NZ-O 2.86Å
244E85.2Confident92.2Very high92 Ų9232.3 Ų32.343%0.4316%0.156SC..G310 helixtrans-57-25.5175-62.3171.9-160.300112.1T242 R271T242-E244 PolarHBondContact O-N 3.35Å; E244-R271 WeakPolarHBondContact OE1-CD 3.15Å; E244-R271 IonicContact OE1-CZ 2.85Å; E244-R271 IonicContact OE1-NE 2.82Å; E244-R271 IonicContact OE1-NH1 3.89Å; E244-R271 PolarHBondContact OE1-NH1 2.9Å; E244-R271 IonicContact OE2-NH1 3.25Å; E244-R271 PolarHBondContact OE2-NH1 3.46Å
245F87.4Confident92.1Very high61 Ų6131.5 Ų31.527%0.26815%0.152SC..G310 helixtrans-96.33.4178.9-61.2-78.5000114.2Y223 C241 T242 K243 S247 R248 Q266Y223-F245 HydrophobicContact CD1-CE1 4.09Å; Y223-F245 AromaticContact CE1-CD1 3.74Å; Y223-F245 HydrophobicContact CE1-CD1 3.74Å; Y223-F245 AromaticContact CE1-CE1 3.42Å; Y223-F245 HydrophobicContact CE1-CE1 3.42Å; Y223-F245 VanDerWaalsContact CE1-CE1 3.42Å; Y223-F245 HydrophobicContact CE1-CZ 4.18Å; Y223-F245 AromaticContact CZ-CE1 3.88Å; C241-F245 HydrophobicContact CB-CD2 4.33Å; T242-F245 PolarHBondContact O-N 3.47Å; K243-F245 PolarHBondContact O-N 2.86Å; K243-F245 VanDerWaalsContact O-N 3.13Å; F245-S247 VanDerWaalsContact C-N 3.3Å; F245-S247 PolarHBondContact O-N 3.43Å; F245-R248 HydrophobicContact CD1-CG 4.46Å; F245-R248 WeakPolarHBondContact O-CA 3.42Å; F245-R248 WeakPolarHBondContact O-CB 3.43Å; F245-R248 PolarHBondContact O-N 3.21Å; F245-Q266 PolarHBondContact O-NE2 3.25Å
246Q87.8Confident92.1Very high74 Ų7430.2 Ų30.235%0.34615%0.146SC..G310 helixtrans-59.5-40.1-178.3-170-180-1.100112.2K243 R248 R249 E268K243-Q246 VanDerWaalsContact O-CB 3.26Å; K243-Q246 WeakPolarHBondContact O-CB 3.09Å; K243-Q246 PolarHBondContact O-N 3.06Å; Q246-R248 PolarHBondContact O-N 3.45Å; Q246-R249 WeakPolarHBondContact O-CB 3.49Å; Q246-R249 PolarHBondContact O-N 3.43Å; Q246-E268 HydrophobicContact CB-CG 3.91Å; Q246-E268 HydrophobicContact CG-CG 4.21Å
247S86.5Confident92.1Very high53 Ų5331.4 Ų31.437%0.37115%0.152SC..G310 helixtrans-67.3-16177.864.20000113.4F245 P250F245-S247 VanDerWaalsContact C-N 3.3Å; F245-S247 PolarHBondContact O-N 3.43Å; S247-P250 WeakPolarHBondContact O-CD 3.26Å
248R86.2Confident92Very high60 Ų6032.6 Ų32.623%0.22616%0.16CC..G310 helixtrans-87.4-14.8178.1-54.1-61.5179171.9-7.8113.2K197 D224 F245 Q246 P250 A251 Y252K197-R248 VanDerWaalsContact NZ-NH1 3.16Å; D224-R248 WeakPolarHBondContact OD1-CD 3.31Å; D224-R248 IonicContact OD1-NE 3.74Å; D224-R248 IonicContact OD2-CZ 2.7Å; D224-R248 IonicContact OD2-NE 2.73Å; D224-R248 IonicContact OD2-NH1 3.66Å; D224-R248 PolarHBondContact OD2-NH1 3.33Å; F245-R248 HydrophobicContact CD1-CG 4.46Å; F245-R248 WeakPolarHBondContact O-CA 3.42Å; F245-R248 WeakPolarHBondContact O-CB 3.43Å; F245-R248 PolarHBondContact O-N 3.21Å; Q246-R248 PolarHBondContact O-N 3.45Å; R248-P250 VanDerWaalsContact C-CD 3.45Å; R248-P250 VanDerWaalsContact C-N 3.33Å; R248-A251 WeakPolarHBondContact O-CA 3.45Å; R248-A251 VanDerWaalsContact O-CB 3.29Å; R248-A251 WeakPolarHBondContact O-CB 3.09Å; R248-A251 PolarHBondContact O-N 3.25Å; R248-Y252 PolarHBondContact O-N 3.28Å
249R90.3Very high92.1Very high56 Ų5632.6 Ų32.621%0.21116%0.16CC..Hα-helixtrans-53.4-39.3179.6-168.717268.2-165.910.2114.4Q246 A251 Y252 Y253 Q266 E268Q246-R249 WeakPolarHBondContact O-CB 3.49Å; Q246-R249 PolarHBondContact O-N 3.43Å; R249-A251 VanDerWaalsContact C-N 3.32Å; R249-A251 PolarHBondContact O-N 3.35Å; R249-Y252 VanDerWaalsContact O-CB 3.28Å; R249-Y252 WeakPolarHBondContact O-CB 3.39Å; R249-Y252 PolarHBondContact O-N 2.76Å; R249-Y253 HydrophobicContact CG-CD2 4.14Å; R249-Y253 HydrophobicContact CG-CE1 4.28Å; R249-Y253 HydrophobicContact CG-CE2 3.67Å; R249-Y253 PolarHBondContact O-N 2.78Å; R249-Q266 HydrophobicContact CG-CB 4.16Å; R249-E268 IonicContact NH1-OE1 2.73Å; R249-E268 IonicContact NH1-OE2 3.69Å; R249-E268 PolarHBondContact NH1-OE2 3.19Å; R249-E268 VanDerWaalsContact NH1-OE2 3.13Å
250P89Confident92.1Very high59 Ų5935.3 Ų35.338%0.38318%0.175SC..Hα-helixtrans-60.4-39.8174.1-25.336.3000113.1S247 R248 Y252 W254S247-P250 WeakPolarHBondContact O-CD 3.26Å; R248-P250 VanDerWaalsContact C-CD 3.45Å; R248-P250 VanDerWaalsContact C-N 3.33Å; P250-Y252 VanDerWaalsContact C-N 3.35Å; P250-W254 WeakPolarHBondContact O-CB 3.01Å; P250-W254 PolarHBondContact O-N 2.77Å
251A90.1Very high92.2Very high1 Ų136.1 Ų36.11%0.00818%0.179CC..Hα-helixtrans-64.1-43.7175.800000110.8L193 R248 R249 W254 L255L193-A251 HydrophobicContact CD1-CB 4.11Å; L193-A251 HydrophobicContact CD2-CB 3.5Å; L193-A251 HydrophobicContact CG-CB 4.46Å; R248-A251 WeakPolarHBondContact O-CA 3.45Å; R248-A251 VanDerWaalsContact O-CB 3.29Å; R248-A251 WeakPolarHBondContact O-CB 3.09Å; R248-A251 PolarHBondContact O-N 3.25Å; R249-A251 VanDerWaalsContact C-N 3.32Å; R249-A251 PolarHBondContact O-N 3.35Å; A251-W254 PolarHBondContact O-N 3.42Å; A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 PolarHBondContact O-N 2.73Å
252Y93.7Very high92.5Very high8 Ų836.3 Ų36.33%0.03118%0.178CC..Hα-helixtrans-53.3-57.2176.7-170.9-63000111.1C228 D231 R248 R249 P250 L255 C256 P264 Q266C228-Y252 VanDerWaalsContact CA-CE2 3.48Å; C228-Y252 HydrophobicContact CB-CD1 3.56Å; C228-Y252 HydrophobicContact CB-CD2 3.36Å; C228-Y252 HydrophobicContact CB-CE1 3.63Å; C228-Y252 HydrophobicContact CB-CE2 3.41Å; C228-Y252 VanDerWaalsContact CB-CE2 3.41Å; C228-Y252 HydrophobicContact CB-CG 3.39Å; D231-Y252 WeakPolarHBondContact CB-OH 3.39Å; D231-Y252 VanDerWaalsContact CG-OH 3.27Å; D231-Y252 VanDerWaalsContact OD2-CE2 3.32Å; D231-Y252 WeakPolarHBondContact OD2-CE2 3.45Å; D231-Y252 VanDerWaalsContact OD2-CZ 3.32Å; D231-Y252 PolarHBondContact OD2-OH 2.91Å; R248-Y252 PolarHBondContact O-N 3.28Å; R249-Y252 VanDerWaalsContact O-CB 3.28Å; R249-Y252 WeakPolarHBondContact O-CB 3.39Å; R249-Y252 PolarHBondContact O-N 2.76Å; P250-Y252 VanDerWaalsContact C-N 3.35Å; Y252-L255 PolarHBondContact O-N 2.71Å; Y252-C256 PolarHBondContact O-N 3.08Å; Y252-P264 HydrophobicContact CE1-CB 4.33Å; Y252-P264 VanDerWaalsContact OH-CB 3.28Å; Y252-P264 WeakPolarHBondContact OH-CB 3.39Å; Y252-P264 WeakPolarHBondContact OH-CG 3.41Å; Y252-Q266 HydrophobicContact CD2-CB 4.45Å; Y252-Q266 VanDerWaalsContact CD2-OE1 3.25Å
253Y94.6Very high92.8Very high6 Ų635.2 Ų35.22%0.02417%0.172CC..Hα-helixtrans-68.5-37.1-178.9-63.9-22.2000112.3G27 Y28 R249 L255 N257 C263 P264G27-Y253 WeakPolarHBondContact O-CD2 3.42Å; G27-Y253 WeakPolarHBondContact O-CE2 3.43Å; Y28-Y253 HydrophobicContact CD2-CE1 4.21Å; Y28-Y253 HydrophobicContact CE2-CE1 4.49Å; R249-Y253 HydrophobicContact CG-CD2 4.14Å; R249-Y253 HydrophobicContact CG-CE1 4.28Å; R249-Y253 HydrophobicContact CG-CE2 3.67Å; R249-Y253 PolarHBondContact O-N 2.78Å; Y253-L255 VanDerWaalsContact C-N 3.33Å; Y253-L255 PolarHBondContact O-N 2.77Å; Y253-N257 VanDerWaalsContact O-CB 3.24Å; Y253-N257 WeakPolarHBondContact O-CB 3.37Å; Y253-N257 VanDerWaalsContact O-CG 3.27Å; Y253-N257 PolarHBondContact O-N 3.42Å; Y253-N257 PolarHBondContact O-ND2 3.48Å; Y253-C263 VanDerWaalsContact CD1-SG 3.51Å; Y253-P264 WeakPolarHBondContact CE1-O 3.4Å
254W94.8Very high93.2Very high51 Ų5131.7 Ų31.719%0.19316%0.156CC..Hα-helixtrans-60.9-42.4177.5175.685.8000111.8L134 L139 M189 V191 P250 A251 S258L134-W254 HydrophobicContact CD2-CH2 4.48Å; L139-W254 HydrophobicContact CB-CH2 4.25Å; L139-W254 HydrophobicContact CB-CZ2 3.99Å; L139-W254 HydrophobicContact CD2-CZ2 4.27Å; L139-W254 HydrophobicContact CG-CZ2 4.48Å; L139-W254 WeakPolarHBondContact O-CH2 3.4Å; M189-W254 HydrophobicContact CB-CH2 3.83Å; M189-W254 HydrophobicContact CB-CZ3 3.71Å; M189-W254 HydrophobicContact CG-CH2 4.36Å; M189-W254 HydrophobicContact CG-CZ3 3.92Å; M189-W254 HydrophobicContact SD-CE3 4.35Å; M189-W254 HydrophobicContact SD-CZ3 3.75Å; V191-W254 HydrophobicContact CB-CD2 3.96Å; V191-W254 HydrophobicContact CB-CE3 4.35Å; V191-W254 HydrophobicContact CB-CG 4.44Å; V191-W254 HydrophobicContact CB-CH2 4.36Å; V191-W254 HydrophobicContact CB-CZ2 3.93Å; V191-W254 HydrophobicContact CG1-CD2 4.07Å; V191-W254 HydrophobicContact CG1-CE3 3.97Å; V191-W254 HydrophobicContact CG1-CH2 4.27Å; V191-W254 HydrophobicContact CG1-CZ2 4.32Å; V191-W254 HydrophobicContact CG1-CZ3 4.09Å; V191-W254 HydrophobicContact CG2-CD2 3.97Å; V191-W254 HydrophobicContact CG2-CG 3.92Å; P250-W254 WeakPolarHBondContact O-CB 3.01Å; P250-W254 PolarHBondContact O-N 2.77Å; A251-W254 PolarHBondContact O-N 3.42Å; W254-S258 PolarHBondContact NE1-OG 3.31Å; W254-S258 WeakPolarHBondContact O-CB 3.25Å; W254-S258 PolarHBondContact O-N 3.17Å; W254-S258 PolarHBondContact O-OG 3.29Å
255L96.6Very high93.7Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-62.5-54.3179.1-86.4168.1000112L134 M189 D224 Y225 C228 L229 A251 Y252 Y253 N257 S258 L259L134-L255 HydrophobicContact CD1-CD2 3.9Å; M189-L255 HydrophobicContact SD-CD1 3.82Å; M189-L255 HydrophobicContact SD-CD2 3.69Å; M189-L255 HydrophobicContact SD-CG 3.88Å; D224-L255 VanDerWaalsContact O-CD1 3.26Å; D224-L255 WeakPolarHBondContact O-CD1 3.34Å; Y225-L255 HydrophobicContact CD2-CD1 4.31Å; Y225-L255 HydrophobicContact CD2-CD2 3.79Å; Y225-L255 HydrophobicContact CE2-CD2 3.85Å; C228-L255 VanDerWaalsContact SG-CB 3.53Å; C228-L255 WeakPolarHBondContact SG-CD1 3.29Å; L229-L255 HydrophobicContact CD2-CB 4.22Å; A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 PolarHBondContact O-N 2.73Å; Y252-L255 PolarHBondContact O-N 2.71Å; Y253-L255 VanDerWaalsContact C-N 3.33Å; Y253-L255 PolarHBondContact O-N 2.77Å; L255-N257 VanDerWaalsContact C-N 3.33Å; L255-N257 PolarHBondContact O-N 3.49Å; L255-S258 PolarHBondContact O-N 3.02Å; L255-L259 PolarHBondContact O-N 3.23Å; L255-L259 VanDerWaalsContact O-N 3.09Å
256C97.3Very high94Very high0 Ų024.8 Ų24.80%013%0.125CC..Hα-helixtrans-58.6-45.5179.3-61.30000111.7Y252 L259 N260 I261 C263Y252-C256 PolarHBondContact O-N 3.08Å; C256-L259 PolarHBondContact O-N 2.97Å; C256-N260 PolarHBondContact O-N 3.31Å; C256-N260 VanDerWaalsContact O-N 3.08Å; C256-I261 HydrophobicContact CB-CG1 4.15Å; C256-I261 WeakPolarHBondContact O-CG1 3.28Å; C256-I261 PolarHBondContact O-N 2.86Å; C256-C263 HydrophobicContact CB-CB 3.62Å
257N96.3Very high94.2Very high25 Ų2522.7 Ų22.713%0.13411%0.114CC..Hα-helixtrans-69.6-38.9-178.6-73.6-38.1000112.8V29 T31 Y253 L255 L259 N260V29-N257 PolarHBondContact O-ND2 3.07Å; T31-N257 HydrophobicContact CG2-CB 3.88Å; T31-N257 WeakPolarHBondContact CG2-OD1 3.49Å; Y253-N257 VanDerWaalsContact O-CB 3.24Å; Y253-N257 WeakPolarHBondContact O-CB 3.37Å; Y253-N257 VanDerWaalsContact O-CG 3.27Å; Y253-N257 PolarHBondContact O-N 3.42Å; Y253-N257 PolarHBondContact O-ND2 3.48Å; L255-N257 VanDerWaalsContact C-N 3.33Å; L255-N257 PolarHBondContact O-N 3.49Å; N257-L259 VanDerWaalsContact C-N 3.28Å; N257-L259 PolarHBondContact O-N 2.75Å; N257-N260 PolarHBondContact O-N 2.94Å; N257-N260 VanDerWaalsContact O-N 3.08Å
258S96.4Very high94.5Very high24 Ų2420.4 Ų20.417%0.16810%0.097CC..Hα-helixtrans-64.1-35.3177.3-66.80000112.1L137 W254 L255 N260L137-S258 WeakPolarHBondContact CD1-O 3.33Å; W254-S258 PolarHBondContact NE1-OG 3.31Å; W254-S258 WeakPolarHBondContact O-CB 3.25Å; W254-S258 PolarHBondContact O-N 3.17Å; W254-S258 PolarHBondContact O-OG 3.29Å; L255-S258 PolarHBondContact O-N 3.02Å; S258-N260 VanDerWaalsContact C-N 3.29Å
259L97.8Very high94.6Very high0 Ų017.8 Ų17.80%09%0.088CC..Hα-helixtrans-82.7-8.5175.7-71.5167.1000113.3W130 K133 L134 L229 L255 C256 N257 I261W130-L259 HydrophobicContact CB-CD1 3.75Å; W130-L259 HydrophobicContact CB-CD2 3.71Å; W130-L259 HydrophobicContact CB-CG 4.39Å; W130-L259 HydrophobicContact CD2-CD1 4Å; W130-L259 HydrophobicContact CE3-CD1 4.16Å; W130-L259 HydrophobicContact CG-CD1 3.86Å; W130-L259 HydrophobicContact CG-CD2 3.9Å; W130-L259 HydrophobicContact CG-CG 4.44Å; W130-L259 WeakPolarHBondContact O-CD2 3.36Å; K133-L259 HydrophobicContact CB-CD2 4.07Å; K133-L259 HydrophobicContact CD-CD2 3.89Å; K133-L259 HydrophobicContact CG-CD2 4.12Å; K133-L259 PolarHBondContact NZ-O 2.77Å; L134-L259 HydrophobicContact CD2-CD2 4.02Å; L134-L259 HydrophobicContact CD2-CG 4.05Å; L134-L259 HydrophobicContact CG-CD2 3.86Å; L134-L259 HydrophobicContact CG-CG 4.24Å; L229-L259 HydrophobicContact CD1-CD1 4.09Å; L229-L259 HydrophobicContact CD2-CD1 3.46Å; L229-L259 VanDerWaalsContact CD2-CD1 3.46Å; L229-L259 HydrophobicContact CG-CD1 4.45Å; L255-L259 PolarHBondContact O-N 3.23Å; L255-L259 VanDerWaalsContact O-N 3.09Å; C256-L259 PolarHBondContact O-N 2.97Å; N257-L259 VanDerWaalsContact C-N 3.28Å; N257-L259 PolarHBondContact O-N 2.75Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 HydrophobicContact CB-CD1 4.2Å; L259-I261 HydrophobicContact CB-CG1 4.07Å; L259-I261 HydrophobicContact CB-CG2 4.12Å; L259-I261 HydrophobicContact CD1-CD1 4.26Å
260N97Very high94.6Very high57 Ų5715.1 Ų15.131%0.3058%0.078SC..THydrogen-bonded Turntrans55.846.8-175.6-161.818.7000112.5D33 C256 N257 S258D33-N260 WeakPolarHBondContact CB-OD1 3.43Å; D33-N260 VanDerWaalsContact CG-ND2 3.28Å; D33-N260 VanDerWaalsContact CG-OD1 3.26Å; D33-N260 PolarHBondContact OD2-ND2 3.48Å; D33-N260 PolarHBondContact OD2-OD1 2.69Å; C256-N260 PolarHBondContact O-N 3.31Å; C256-N260 VanDerWaalsContact O-N 3.08Å; N257-N260 PolarHBondContact O-N 2.94Å; N257-N260 VanDerWaalsContact O-N 3.08Å; S258-N260 VanDerWaalsContact C-N 3.29Å
261I97.8Very high94.5Very high22 Ų2215.3 Ų15.311%0.1137%0.071CC..  trans-115.9168.3178.662.3175.7000110.2L37 W130 L229 C256 L259 C263L37-I261 WeakPolarHBondContact CD1-O 3.42Å; W130-I261 HydrophobicContact CE3-CD1 4.17Å; W130-I261 HydrophobicContact CH2-CD1 3.57Å; W130-I261 HydrophobicContact CH2-CG2 4.36Å; W130-I261 HydrophobicContact CZ2-CD1 4Å; W130-I261 HydrophobicContact CZ2-CG2 3.79Å; W130-I261 HydrophobicContact CZ3-CD1 3.68Å; L229-I261 HydrophobicContact CD2-CD1 3.65Å; C256-I261 HydrophobicContact CB-CG1 4.15Å; C256-I261 WeakPolarHBondContact O-CG1 3.28Å; C256-I261 PolarHBondContact O-N 2.86Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 HydrophobicContact CB-CD1 4.2Å; L259-I261 HydrophobicContact CB-CG1 4.07Å; L259-I261 HydrophobicContact CB-CG2 4.12Å; L259-I261 HydrophobicContact CD1-CD1 4.26Å; I261-C263 PolarHBondContact O-N 3.35Å
262Y97.7Very high94.5Very high12 Ų1215.4 Ų15.45%0.0477%0.071CC..  trans-53.2136.5176.3169.1-117.8000110.7N22 L38 H41 S232 I236 P264N22-Y262 PolarHBondContact ND2-OH 3.47Å; L38-Y262 HydrophobicContact CD2-CD2 4.33Å; L38-Y262 HydrophobicContact CD2-CE2 3.91Å; H41-Y262 HydrophobicContact CB-CD2 3.78Å; H41-Y262 HydrophobicContact CB-CE2 4Å; H41-Y262 HydrophobicContact CB-CG 4.2Å; H41-Y262 AromaticContact CD2-CE2 3.8Å; H41-Y262 AromaticContact CD2-CZ 3.87Å; H41-Y262 AromaticContact CE1-CE1 3.48Å; H41-Y262 VanDerWaalsContact CE1-CE1 3.48Å; H41-Y262 WeakPolarHBondContact CE1-CE1 3.39Å; H41-Y262 AromaticContact CE1-CZ 3.41Å; H41-Y262 VanDerWaalsContact CE1-CZ 3.41Å; H41-Y262 AromaticContact CG-CD2 3.8Å; H41-Y262 AromaticContact CG-CE2 3.56Å; H41-Y262 AromaticContact CG-CZ 3.72Å; H41-Y262 AromaticContact ND1-CD1 3.66Å; H41-Y262 AromaticContact ND1-CE1 3.37Å; H41-Y262 WeakPolarHBondContact ND1-CE1 3.36Å; H41-Y262 AromaticContact ND1-CE2 3.75Å; H41-Y262 AromaticContact ND1-CG 3.99Å; H41-Y262 AromaticContact ND1-CZ 3.45Å; H41-Y262 AromaticContact NE2-CZ 3.69Å; S232-Y262 WeakPolarHBondContact CB-O 3.44Å; S232-Y262 PolarHBondContact OG-N 3.38Å; S232-Y262 PolarHBondContact OG-O 3.02Å; I236-Y262 WeakPolarHBondContact O-CE1 3.25Å; I236-Y262 PolarHBondContact O-OH 2.88Å; Y262-P264 HydrophobicContact CD1-CG 4.15Å; Y262-P264 HydrophobicContact CE1-CB 4.35Å; Y262-P264 HydrophobicContact CE1-CG 3.68Å; Y262-P264 WeakPolarHBondContact O-CD 3.16Å
263C97.6Very high94.4Very high4 Ų417.2 Ų17.23%0.0278%0.081CC..  trans-118.5100.4-176.7-173.40000109.5N22 Y28 Y253 C256 I261N22-C263 PolarHBondContact ND2-O 3.1Å; Y28-C263 HydrophobicContact CE2-CB 4.32Å; Y28-C263 VanDerWaalsContact CE2-O 3.32Å; Y28-C263 WeakPolarHBondContact CE2-O 3.28Å; Y28-C263 WeakPolarHBondContact OH-CB 3.32Å; Y28-C263 PolarHBondContact OH-O 3.19Å; Y253-C263 VanDerWaalsContact CD1-SG 3.51Å; C256-C263 HydrophobicContact CB-CB 3.62Å; I261-C263 PolarHBondContact O-N 3.35Å
264P97.3Very high94.4Very high0 Ų017.3 Ų17.30%08%0.082CC..  trans-60.5159.8172.9-23.132.7000112.5D231 I236 Y252 Y253 Y262D231-P264 HydrophobicContact CB-CB 4.39Å; D231-P264 HydrophobicContact CB-CG 3.69Å; I236-P264 WeakPolarHBondContact O-CB 3.1Å; I236-P264 WeakPolarHBondContact O-CG 3.37Å; Y252-P264 HydrophobicContact CE1-CB 4.33Å; Y252-P264 VanDerWaalsContact OH-CB 3.28Å; Y252-P264 WeakPolarHBondContact OH-CB 3.39Å; Y252-P264 WeakPolarHBondContact OH-CG 3.41Å; Y253-P264 WeakPolarHBondContact CE1-O 3.4Å; Y262-P264 HydrophobicContact CD1-CG 4.15Å; Y262-P264 HydrophobicContact CE1-CB 4.35Å; Y262-P264 HydrophobicContact CE1-CG 3.68Å; Y262-P264 WeakPolarHBondContact O-CD 3.16Å
265V95.9Very high94.4Very high1 Ų117.4 Ų17.41%0.0068%0.083CC..EExtended strand (participates in β ladder)trans-93.3115.7173.5-174.40000109.7H17 N22 S25 Y28 T237 S239 W267H17-V265 VanDerWaalsContact CE1-CB 3.5Å; H17-V265 WeakPolarHBondContact CE1-CB 3.48Å; H17-V265 WeakPolarHBondContact NE2-CG2 2.94Å; N22-V265 HydrophobicContact CB-CG2 3.52Å; S25-V265 WeakPolarHBondContact OG-CG1 3.41Å; Y28-V265 HydrophobicContact CD2-CG2 3.97Å; Y28-V265 HydrophobicContact CE2-CG2 3.98Å; T237-V265 PolarHBondContact O-N 3.44Å; S239-V265 WeakPolarHBondContact CB-O 3.38Å; S239-V265 PolarHBondContact N-O 3.35Å; V265-W267 HydrophobicContact CG1-CG 4.49Å
266Q94.1Very high94.4Very high7 Ų719 Ų193%0.0339%0.089CC..EExtended strand (participates in β ladder)trans-73.3124.9167.2-171.8179.1-71.900110.8S239 C241 F245 R249 Y252 E268S239-Q266 WeakPolarHBondContact O-CA 3.48Å; C241-Q266 VanDerWaalsContact SG-CD 3.59Å; C241-Q266 VanDerWaalsContact SG-CG 3.52Å; F245-Q266 PolarHBondContact O-NE2 3.25Å; R249-Q266 HydrophobicContact CG-CB 4.16Å; Y252-Q266 HydrophobicContact CD2-CB 4.45Å; Y252-Q266 VanDerWaalsContact CD2-OE1 3.25Å; Q266-E268 PolarHBondContact NE2-OE1 3.46Å
267W92.3Very high94.3Very high31 Ų3119.8 Ų19.812%0.11710%0.095CC..EExtended strand (participates in β ladder)trans-120.1131.6171.3-79.4102.8000109.8F16 H17 S239 L240 C241 V265F16-W267 AromaticContact CD1-CD2 3.49Å; F16-W267 HydrophobicContact CD1-CD2 3.49Å; F16-W267 VanDerWaalsContact CD1-CD2 3.49Å; F16-W267 AromaticContact CD1-CE2 3.52Å; F16-W267 AromaticContact CD1-CE3 3.82Å; F16-W267 HydrophobicContact CD1-CE3 3.82Å; F16-W267 AromaticContact CD1-CG 3.93Å; F16-W267 HydrophobicContact CD1-CG 3.93Å; F16-W267 HydrophobicContact CD1-CH2 4.16Å; F16-W267 AromaticContact CD1-CZ2 3.88Å; F16-W267 HydrophobicContact CD1-CZ2 3.88Å; F16-W267 HydrophobicContact CD1-CZ3 4.13Å; F16-W267 AromaticContact CD1-NE1 3.94Å; F16-W267 HydrophobicContact CD2-CG 4.45Å; F16-W267 HydrophobicContact CE1-CB 4.04Å; F16-W267 AromaticContact CE1-CD2 3.35Å; F16-W267 HydrophobicContact CE1-CD2 3.35Å; F16-W267 AromaticContact CE1-CE2 3.93Å; F16-W267 AromaticContact CE1-CE3 3.42Å; F16-W267 HydrophobicContact CE1-CE3 3.42Å; F16-W267 VanDerWaalsContact CE1-CE3 3.42Å; F16-W267 AromaticContact CE1-CG 3.64Å; F16-W267 HydrophobicContact CE1-CG 3.64Å; F16-W267 HydrophobicContact CE1-CZ2 4.48Å; F16-W267 HydrophobicContact CE1-CZ3 4.02Å; F16-W267 HydrophobicContact CE2-CB 4.24Å; F16-W267 HydrophobicContact CE2-CG 4.19Å; F16-W267 HydrophobicContact CG-CD2 4.26Å; F16-W267 HydrophobicContact CG-CG 4.33Å; F16-W267 HydrophobicContact CZ-CB 3.74Å; F16-W267 AromaticContact CZ-CD2 4Å; F16-W267 HydrophobicContact CZ-CD2 4Å; F16-W267 HydrophobicContact CZ-CE3 4.27Å; F16-W267 AromaticContact CZ-CG 3.77Å; F16-W267 HydrophobicContact CZ-CG 3.77Å; H17-W267 AromaticContact ND1-NE1 3.54Å; S239-W267 PolarHBondContact O-N 2.95Å; L240-W267 WeakPolarHBondContact CA-O 3.3Å; L240-W267 HydrophobicContact CD2-CB 3.8Å; C241-W267 PolarHBondContact N-O 3.44Å; V265-W267 HydrophobicContact CG1-CG 4.49Å
268E90.9Very high94.2Very high4 Ų418.8 Ų18.82%0.0199%0.089CC..EExtended strand (participates in β ladder)trans-96.6155.4178.5-5783.6-169.400112.2C241 Q246 R249 Q266 M328C241-E268 CarbonylContact O-C 3.56Å; C241-E268 WeakPolarHBondContact O-CA 3.34Å; Q246-E268 HydrophobicContact CB-CG 3.91Å; Q246-E268 HydrophobicContact CG-CG 4.21Å; R249-E268 IonicContact NH1-OE1 2.73Å; R249-E268 IonicContact NH1-OE2 3.69Å; R249-E268 PolarHBondContact NH1-OE2 3.19Å; R249-E268 VanDerWaalsContact NH1-OE2 3.13Å; Q266-E268 PolarHBondContact NE2-OE1 3.46Å; E268-M328 VanDerWaalsContact C-SD 3.59Å; E268-M328 HydrophobicContact CB-CE 3.97Å; E268-M328 HydrophobicContact CB-SD 4.11Å
269Y90.1Very high93.9Very high6 Ų618.7 Ų18.72%0.0249%0.087CC..EExtended strand (participates in β ladder)trans-142.8160.4167.957.7-87.4000111.6A68 F71 L240 C241 T242 K243 R271A68-Y269 VanDerWaalsContact CA-OH 3.28Å; A68-Y269 WeakPolarHBondContact CA-OH 3.26Å; A68-Y269 WeakPolarHBondContact CB-OH 3.38Å; F71-Y269 AromaticContact CD1-CD1 3.44Å; F71-Y269 HydrophobicContact CD1-CD1 3.44Å; F71-Y269 VanDerWaalsContact CD1-CD1 3.44Å; F71-Y269 HydrophobicContact CD1-CD2 4.38Å; F71-Y269 AromaticContact CD1-CE1 3.6Å; F71-Y269 HydrophobicContact CD1-CE1 3.6Å; F71-Y269 AromaticContact CD1-CG 3.87Å; F71-Y269 HydrophobicContact CD1-CG 3.87Å; F71-Y269 AromaticContact CE1-CD1 3.46Å; F71-Y269 HydrophobicContact CE1-CD1 3.46Å; F71-Y269 VanDerWaalsContact CE1-CD1 3.46Å; F71-Y269 HydrophobicContact CE1-CE1 4.02Å; F71-Y269 AromaticContact CE1-CG 3.95Å; F71-Y269 HydrophobicContact CE1-CG 3.95Å; L240-Y269 HydrophobicContact CB-CD1 4.48Å; L240-Y269 HydrophobicContact CB-CE1 4.03Å; C241-Y269 VanDerWaalsContact C-CE1 3.47Å; C241-Y269 WeakPolarHBondContact O-CD1 3.28Å; C241-Y269 WeakPolarHBondContact O-CE1 3.43Å; C241-Y269 PolarHBondContact O-N 3.41Å; T242-Y269 CarbonylContact C-O 3.45Å; T242-Y269 VanDerWaalsContact CA-O 3.3Å; T242-Y269 WeakPolarHBondContact CA-O 3.43Å; T242-Y269 HydrophobicContact CG2-CE2 3.9Å; K243-Y269 PolarHBondContact N-O 3.33Å; Y269-R271 PolarHBondContact O-N 3.15Å
270G89Confident93.4Very high0 Ų020.6 Ų20.60%010%0.101CC..PPolyproline II helixtrans-65.7126.8177.200000111.7K67 T327 A329K67-G270 PolarHBondContact NZ-O 3.29Å; G270-T327 PolarHBondContact N-O 2.92Å; G270-A329 WeakPolarHBondContact CA-O 3.35Å
271R88.2Confident93Very high62 Ų6222.3 Ų22.323%0.23411%0.106CC..PPolyproline II helixtrans-61140.1170.7-176.5173.4-179.61638.5110.1H62 T242 E244 Y269H62-R271 PolarHBondContact NE2-NH2 2.9Å; T242-R271 HydrophobicContact CG2-CB 4.26Å; E244-R271 WeakPolarHBondContact OE1-CD 3.15Å; E244-R271 IonicContact OE1-CZ 2.85Å; E244-R271 IonicContact OE1-NE 2.82Å; E244-R271 IonicContact OE1-NH1 3.89Å; E244-R271 PolarHBondContact OE1-NH1 2.9Å; E244-R271 IonicContact OE2-NH1 3.25Å; E244-R271 PolarHBondContact OE2-NH1 3.46Å; Y269-R271 PolarHBondContact O-N 3.15Å
272L90.2Very high92.6Very high3 Ų330 Ų302%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-90.8122.2172.6168.961.8000109.8I63 G64 K67 L274 F320 I324 L333I63-L272 HydrophobicContact CG1-CD2 3.93Å; G64-L272 WeakPolarHBondContact CA-O 3.46Å; K67-L272 HydrophobicContact CB-CB 4.12Å; K67-L272 HydrophobicContact CB-CD2 3.96Å; K67-L272 HydrophobicContact CD-CB 3.65Å; K67-L272 HydrophobicContact CD-CD2 4.39Å; L272-L274 HydrophobicContact CD1-CD2 4.43Å; L272-F320 HydrophobicContact CD1-CE1 4.29Å; L272-F320 HydrophobicContact CD1-CZ 4.41Å; L272-F320 HydrophobicContact CD2-CD1 4.45Å; L272-F320 HydrophobicContact CD2-CE1 3.87Å; L272-I324 HydrophobicContact CD1-CD1 3.85Å; L272-I324 HydrophobicContact CD2-CD1 4.03Å; L272-L333 HydrophobicContact CD1-CD1 3.79Å; L272-L333 HydrophobicContact CD1-CG 4.36Å
273N91Very high92.4Very high46 Ų4631 Ų3125%0.24614%0.138CC..EExtended strand (participates in β ladder)trans-128.3155.7170.7-64.1-48.9000109.3T331 I332 L333N273-T331 PolarHBondContact N-O 3.02Å; N273-I332 HydrophobicContact CB-CG1 4.31Å; N273-I332 HydrophobicContact CB-CG2 4.36Å; N273-I332 WeakPolarHBondContact O-CA 3.1Å; N273-L333 PolarHBondContact O-N 3.22Å
274L94Very high92.2Very high8 Ų831 Ų314%0.04214%0.137CC..EExtended strand (participates in β ladder)trans-115140.5175.9-63.2-179.5000110.3I63 L272 S277 V302 F320 L333 P335 L338I63-L274 HydrophobicContact CG1-CD1 4.3Å; I63-L274 HydrophobicContact CG2-CD1 4.11Å; I63-L274 HydrophobicContact CG2-CG 4.13Å; L272-L274 HydrophobicContact CD1-CD2 4.43Å; L274-S277 PolarHBondContact O-OG 3.29Å; L274-V302 HydrophobicContact CD1-CG1 4.08Å; L274-F320 HydrophobicContact CD2-CE1 4.45Å; L274-F320 HydrophobicContact CD2-CZ 4.05Å; L274-L333 CarbonylContact C-O 3.59Å; L274-L333 WeakPolarHBondContact CA-O 3.29Å; L274-L333 HydrophobicContact CD2-CB 3.98Å; L274-P335 HydrophobicContact CB-CG 4.45Å; L274-L338 HydrophobicContact CD1-CD2 4.16Å
275Y95.6Very high92.1Very high54 Ų5434.4 Ų34.421%0.21216%0.155CC..THydrogen-bonded Turntrans-60.2158.2168.9-69.7-57.8000110.8S277 I332 L333 D334 P335 K488 E489Y275-S277 PolarHBondContact O-N 3.12Å; Y275-I332 HydrophobicContact CD1-CB 4.23Å; Y275-I332 HydrophobicContact CD1-CG2 3.36Å; Y275-I332 HydrophobicContact CD2-CG2 4.04Å; Y275-I332 HydrophobicContact CE1-CB 3.78Å; Y275-I332 HydrophobicContact CE1-CD1 4.24Å; Y275-I332 HydrophobicContact CE1-CG2 3.44Å; Y275-I332 VanDerWaalsContact CE1-CG2 3.44Å; Y275-I332 HydrophobicContact CE2-CB 4.28Å; Y275-I332 HydrophobicContact CE2-CG2 4.09Å; Y275-I332 WeakPolarHBondContact CE2-O 3.48Å; Y275-I332 HydrophobicContact CG-CG2 3.68Å; Y275-L333 WeakPolarHBondContact CD2-O 3.45Å; Y275-L333 PolarHBondContact N-O 3.15Å; Y275-D334 HydrophobicContact CD2-CB 4.49Å; Y275-P335 VanDerWaalsContact O-CG 3.24Å; Y275-P335 WeakPolarHBondContact O-CG 3.45Å; Y275-K488 WeakPolarHBondContact CA-O 3.43Å; Y275-K488 HydrophobicContact CD1-CB 3.68Å; Y275-K488 HydrophobicContact CD1-CD 4.38Å; Y275-K488 HydrophobicContact CD1-CG 4.26Å; Y275-K488 HydrophobicContact CE1-CB 4.24Å; Y275-K488 HydrophobicContact CE1-CD 4.5Å; Y275-K488 HydrophobicContact CG-CB 4.13Å; Y275-K488 HydrophobicContact CG-CD 4.43Å; Y275-K488 HydrophobicContact CG-CG 4.27Å; Y275-E489 HydrophobicContact CD1-CG 4.06Å; Y275-E489 HydrophobicContact CE1-CG 3.98Å
276Y96.3Very high92.1Very high34 Ų3439 Ų3913%0.13318%0.175CC..THydrogen-bonded Turntrans59.831.3178.6-47-84.1000113.4P335 R483 F485 V487 K488Y276-P335 HydrophobicContact CD2-CG 4.28Å; Y276-R483 HydrophobicContact CG-CB 4.47Å; Y276-R483 HydrophobicContact CG-CG 4.32Å; Y276-R483 PolarHBondContact OH-NH1 2.98Å; Y276-F485 WeakPolarHBondContact CD1-O 3.17Å; Y276-F485 WeakPolarHBondContact O-CD2 3.42Å; Y276-V487 WeakPolarHBondContact CD1-O 3.4Å; Y276-V487 VanDerWaalsContact CE1-C 3.47Å; Y276-K488 HydrophobicContact CE1-CB 4.48Å; Y276-K488 HydrophobicContact CE1-CG 3.91Å; Y276-K488 HydrophobicContact CE2-CG 3.88Å; Y276-K488 VanDerWaalsContact CZ-CG 3.43Å; Y276-K488 PolarHBondContact N-O 2.96Å; Y276-K488 VanDerWaalsContact OH-CG 3.3Å; Y276-K488 WeakPolarHBondContact OH-CG 3.44Å
277S95.2Very high92.2Very high16 Ų1638.7 Ų38.711%0.11217%0.174CC..  trans-143.6162.6-178.877.90000112L274 Y275L274-S277 PolarHBondContact O-OG 3.29Å; Y275-S277 PolarHBondContact O-N 3.12Å
278V93.4Very high92.4Very high3 Ų339 Ų392%0.01818%0.177CC..  trans-132.4139.8167.7-63.40000108.3K283 I284 L287 F485 P490 E491V278-K283 HydrophobicContact CB-CB 4.43Å; V278-K283 HydrophobicContact CB-CD 4.48Å; V278-K283 HydrophobicContact CG1-CD 4.4Å; V278-K283 HydrophobicContact CG2-CB 4.27Å; V278-I284 HydrophobicContact CG2-CG1 4.48Å; V278-L287 HydrophobicContact CG2-CD1 3.73Å; V278-F485 HydrophobicContact CB-CE2 4.4Å; V278-F485 HydrophobicContact CB-CZ 4.46Å; V278-F485 HydrophobicContact CG1-CE2 3.9Å; V278-F485 HydrophobicContact CG1-CZ 3.81Å; V278-F485 HydrophobicContact CG2-CE2 3.96Å; V278-F485 HydrophobicContact CG2-CZ 3.86Å; V278-P490 HydrophobicContact CG1-CG 4.01Å; V278-E491 HydrophobicContact CG1-CG 3.93Å
279V90.1Very high92.6Very high22 Ų2245.5 Ų45.513%0.13321%0.208CC..  trans-118.7-8-175.7-69.20000114.2H62 V302H62-V279 HydrophobicContact CB-CB 4.37Å; H62-V279 HydrophobicContact CB-CG1 4.13Å; V279-V302 HydrophobicContact CG1-CG2 3.51Å
280S88Confident92.9Very high41 Ų4148 Ų4829%0.28723%0.229SC..  trans-76.1132.5-177.2760000111.6R282 K283 I284S280-R282 VanDerWaalsContact C-N 3.31Å; S280-R282 PolarHBondContact O-N 3.48Å; S280-K283 PolarHBondContact O-N 2.92Å; S280-K283 WeakPolarHBondContact OG-CB 3.26Å; S280-K283 VanDerWaalsContact OG-CD 3.31Å; S280-K283 WeakPolarHBondContact OG-CD 3.44Å; S280-K283 WeakPolarHBondContact OG-CG 3.49Å; S280-K283 PolarHBondContact OG-N 3.34Å; S280-I284 PolarHBondContact O-N 2.94Å
281K87.6Confident93.2Very high92 Ų9250.9 Ų50.940%0.426%0.26SS..Hα-helixtrans-44.7-53.4175.5-175.5178.9-177.4170.80112.2N58 K283 I284 L285 W296N58-K281 WeakPolarHBondContact O-CD 3.37Å; N58-K281 WeakPolarHBondContact O-CE 3.5Å; N58-K281 PolarHBondContact O-NZ 2.93Å; K281-K283 VanDerWaalsContact C-N 3.26Å; K281-K283 PolarHBondContact O-N 3.05Å; K281-I284 PolarHBondContact O-N 3.27Å; K281-L285 PolarHBondContact O-N 3.26Å; K281-W296 HydrophobicContact CB-CH2 4.16Å; K281-W296 HydrophobicContact CB-CZ3 4.45Å; K281-W296 HydrophobicContact CG-CH2 3.49Å; K281-W296 VanDerWaalsContact CG-CH2 3.49Å; K281-W296 HydrophobicContact CG-CZ2 4.21Å; K281-W296 HydrophobicContact CG-CZ3 4.16Å; K281-W296 WeakPolarHBondContact O-CH2 3.46Å
282R90Very high93.6Very high184 Ų18449.6 Ų49.669%0.69426%0.257SS*.Hα-helixtrans-57.3-33.8-179.7-173.5-179.965.2169.9-1.7113.9S280 K286S280-R282 VanDerWaalsContact C-N 3.31Å; S280-R282 PolarHBondContact O-N 3.48Å; R282-K286 WeakPolarHBondContact O-CG 3.07Å
283K93.1Very high93.9Very high33 Ų3349.5 Ų49.514%0.14326%0.257CS..Hα-helixtrans-82.6-37.5-180-68.3178.1-177-172.70111.9V278 S280 K281 L285 K286 L287 E491 F497V278-K283 HydrophobicContact CB-CB 4.43Å; V278-K283 HydrophobicContact CB-CD 4.48Å; V278-K283 HydrophobicContact CG1-CD 4.4Å; V278-K283 HydrophobicContact CG2-CB 4.27Å; S280-K283 PolarHBondContact O-N 2.92Å; S280-K283 WeakPolarHBondContact OG-CB 3.26Å; S280-K283 VanDerWaalsContact OG-CD 3.31Å; S280-K283 WeakPolarHBondContact OG-CD 3.44Å; S280-K283 WeakPolarHBondContact OG-CG 3.49Å; S280-K283 PolarHBondContact OG-N 3.34Å; K281-K283 VanDerWaalsContact C-N 3.26Å; K281-K283 PolarHBondContact O-N 3.05Å; K283-L285 VanDerWaalsContact C-N 3.34Å; K283-K286 WeakPolarHBondContact O-CB 3.44Å; K283-K286 PolarHBondContact O-N 2.98Å; K283-L287 PolarHBondContact O-N 2.92Å; K283-L287 VanDerWaalsContact O-N 3.15Å; K283-E491 HydrophobicContact CD-CG 4.42Å; K283-E491 VanDerWaalsContact NZ-CG 3.25Å; K283-E491 IonicContact NZ-OE2 3.02Å; K283-E491 PolarHBondContact NZ-OE2 3.43Å; K283-F497 HydrophobicContact CB-CE1 4.2Å; K283-F497 HydrophobicContact CB-CE2 4.21Å; K283-F497 HydrophobicContact CB-CZ 3.8Å; K283-F497 HydrophobicContact CD-CD1 4.28Å; K283-F497 HydrophobicContact CD-CE1 4.16Å; K283-F497 HydrophobicContact CG-CD1 4.42Å; K283-F497 HydrophobicContact CG-CE1 3.8Å; K283-F497 HydrophobicContact CG-CZ 3.94Å
284I94.5Very high94.1Very high3 Ų352.6 Ų52.62%0.01527%0.273CS..Hα-helixtrans-63.9-43.3175.2-64.6168.6000110.1V278 S280 K281 K286 L287 I288 W296 L301 T303V278-I284 HydrophobicContact CG2-CG1 4.48Å; S280-I284 PolarHBondContact O-N 2.94Å; K281-I284 PolarHBondContact O-N 3.27Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 3.27Å; I284-L287 WeakPolarHBondContact O-CA 3.48Å; I284-L287 WeakPolarHBondContact O-CB 3.32Å; I284-L287 PolarHBondContact O-N 3.33Å; I284-I288 HydrophobicContact CG2-CD1 4.01Å; I284-I288 HydrophobicContact CG2-CG1 4.44Å; I284-I288 WeakPolarHBondContact O-CG1 3.27Å; I284-I288 PolarHBondContact O-N 3.06Å; I284-W296 HydrophobicContact CB-CE3 4.08Å; I284-W296 HydrophobicContact CB-CH2 3.96Å; I284-W296 HydrophobicContact CB-CZ3 3.46Å; I284-W296 VanDerWaalsContact CB-CZ3 3.46Å; I284-W296 HydrophobicContact CD1-CE3 4.24Å; I284-W296 HydrophobicContact CD1-CZ3 3.9Å; I284-W296 HydrophobicContact CG1-CZ3 4.27Å; I284-W296 HydrophobicContact CG2-CD2 4.16Å; I284-W296 HydrophobicContact CG2-CE3 3.47Å; I284-W296 VanDerWaalsContact CG2-CE3 3.47Å; I284-W296 HydrophobicContact CG2-CH2 3.96Å; I284-W296 HydrophobicContact CG2-CZ3 3.37Å; I284-L301 HydrophobicContact CG1-CD2 4.4Å; I284-L301 HydrophobicContact CG2-CD1 3.78Å; I284-T303 HydrophobicContact CD1-CG2 3.96Å
285L93.7Very high94.1Very high72 Ų7255.9 Ų55.938%0.37729%0.291SS..Hα-helixtrans-56.2-41.5175.1-172.865.5000112K281 K283 L287 I288 E289 W296K281-L285 PolarHBondContact O-N 3.26Å; K283-L285 VanDerWaalsContact C-N 3.34Å; L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 3.07Å; L285-I288 PolarHBondContact O-N 3.12Å; L285-E289 HydrophobicContact CG-CG 4.37Å; L285-E289 WeakPolarHBondContact O-CB 3.49Å; L285-E289 VanDerWaalsContact O-CG 3.29Å; L285-E289 WeakPolarHBondContact O-CG 3.37Å; L285-E289 PolarHBondContact O-N 3.34Å; L285-W296 HydrophobicContact CB-CH2 4.46Å; L285-W296 HydrophobicContact CB-CZ2 4.48Å; L285-W296 HydrophobicContact CD1-CZ2 4.49Å
286K95.9Very high94Very high98 Ų9855.7 Ų55.743%0.42629%0.29SS..Hα-helixtrans-63.9-32174-72.4-178176.5-161.60113.8R282 K283 I284 A290 F497R282-K286 WeakPolarHBondContact O-CG 3.07Å; K283-K286 WeakPolarHBondContact O-CB 3.44Å; K283-K286 PolarHBondContact O-N 2.98Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 3.27Å; K286-A290 WeakPolarHBondContact O-CB 3.31Å; K286-A290 PolarHBondContact O-N 3.33Å; K286-A290 VanDerWaalsContact O-N 3.12Å; K286-F497 HydrophobicContact CB-CZ 4.11Å; K286-F497 HydrophobicContact CD-CE1 4.4Å; K286-F497 HydrophobicContact CD-CZ 4.18Å
287L96.8Very high93.9Very high0 Ų056.2 Ų56.20%030%0.295CS..Hα-helixtrans-70.1-38.4175-66.8167.6000110.9V278 K283 I284 L285 G291 I292 V293 L301 L484 F485 F497 L498 I501V278-L287 HydrophobicContact CG2-CD1 3.73Å; K283-L287 PolarHBondContact O-N 2.92Å; K283-L287 VanDerWaalsContact O-N 3.15Å; I284-L287 WeakPolarHBondContact O-CA 3.48Å; I284-L287 WeakPolarHBondContact O-CB 3.32Å; I284-L287 PolarHBondContact O-N 3.33Å; L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 3.07Å; L287-G291 PolarHBondContact O-N 3.32Å; L287-I292 HydrophobicContact CD2-CB 4.28Å; L287-I292 HydrophobicContact CD2-CD1 3.85Å; L287-I292 HydrophobicContact CD2-CG2 4.13Å; L287-I292 PolarHBondContact O-N 2.89Å; L287-V293 HydrophobicContact CB-CG1 4.46Å; L287-V293 HydrophobicContact CB-CG2 3.64Å; L287-V293 PolarHBondContact O-N 3.39Å; L287-L301 HydrophobicContact CD1-CD2 4.14Å; L287-L484 HydrophobicContact CD1-CD2 3.95Å; L287-F485 HydrophobicContact CD1-CZ 4.27Å; L287-F485 HydrophobicContact CD2-CZ 4.36Å; L287-F497 HydrophobicContact CD2-CD2 4.4Å; L287-F497 HydrophobicContact CD2-CE2 3.91Å; L287-F497 HydrophobicContact CG-CE2 4.01Å; L287-L498 HydrophobicContact CD2-CD2 3.61Å; L287-L498 HydrophobicContact CG-CD2 4.49Å; L287-I501 HydrophobicContact CD2-CD1 3.77Å
288I95.9Very high94Very high38 Ų3855.7 Ų55.720%0.19529%0.291CS..Hα-helixtrans-66.7-52.1176.1-63.2167.5000110.1I284 L285 A290 G291 V293 W296I284-I288 HydrophobicContact CG2-CD1 4.01Å; I284-I288 HydrophobicContact CG2-CG1 4.44Å; I284-I288 WeakPolarHBondContact O-CG1 3.27Å; I284-I288 PolarHBondContact O-N 3.06Å; L285-I288 PolarHBondContact O-N 3.12Å; I288-A290 PolarHBondContact O-N 2.93Å; I288-G291 WeakPolarHBondContact O-CA 3.27Å; I288-G291 PolarHBondContact O-N 3.36Å; I288-V293 HydrophobicContact CG1-CG2 3.7Å; I288-W296 HydrophobicContact CD1-CD2 4.25Å; I288-W296 HydrophobicContact CD1-CG 4.39Å; I288-W296 HydrophobicContact CD1-CZ2 4.34Å
289E96.6Very high94.2Very high140 Ų14055.7 Ų55.765%0.65429%0.291SS*.Hα-helixtrans-57.8-33.3177.8-72.1169.5174.700112.5L285 G291L285-E289 HydrophobicContact CG-CG 4.37Å; L285-E289 WeakPolarHBondContact O-CB 3.49Å; L285-E289 VanDerWaalsContact O-CG 3.29Å; L285-E289 WeakPolarHBondContact O-CG 3.37Å; L285-E289 PolarHBondContact O-N 3.34Å; E289-G291 VanDerWaalsContact C-N 3.27Å; E289-G291 PolarHBondContact O-N 3.21Å
290A95.9Very high94.6Very high58 Ų5856.1 Ų56.148%0.47929%0.29SS..THydrogen-bonded Turntrans-81.4-1176.200000113.9K286 I288 I292K286-A290 WeakPolarHBondContact O-CB 3.31Å; K286-A290 PolarHBondContact O-N 3.33Å; K286-A290 VanDerWaalsContact O-N 3.12Å; I288-A290 PolarHBondContact O-N 2.93Å; A290-I292 HydrophobicContact CB-CD1 3.75Å; A290-I292 HydrophobicContact CB-CG1 4.01Å; A290-I292 PolarHBondContact O-N 3.27Å
291G95.8Very high95Very high62 Ų6254.3 Ų54.364%0.63928%0.278SS*.THydrogen-bonded Turntrans65.319.3-177.400000114L287 I288 E289L287-G291 PolarHBondContact O-N 3.32Å; I288-G291 WeakPolarHBondContact O-CA 3.27Å; I288-G291 PolarHBondContact O-N 3.36Å; E289-G291 VanDerWaalsContact C-N 3.27Å; E289-G291 PolarHBondContact O-N 3.21Å
292I96.3Very high95.4Very high34 Ų3450.8 Ų50.817%0.17426%0.264CS..SBendtrans-77.6-42.1179.7-65.8161.5000109.8L287 A290 R300 L484 L498 I501L287-I292 HydrophobicContact CD2-CB 4.28Å; L287-I292 HydrophobicContact CD2-CD1 3.85Å; L287-I292 HydrophobicContact CD2-CG2 4.13Å; L287-I292 PolarHBondContact O-N 2.89Å; A290-I292 HydrophobicContact CB-CD1 3.75Å; A290-I292 HydrophobicContact CB-CG1 4.01Å; A290-I292 PolarHBondContact O-N 3.27Å; I292-R300 PolarHBondContact O-NH1 2.91Å; I292-R300 PolarHBondContact O-NH2 2.97Å; I292-L484 HydrophobicContact CG2-CD1 3.94Å; I292-L498 HydrophobicContact CD1-CD2 3.65Å; I292-I501 HydrophobicContact CD1-CD1 4.11Å; I292-I501 HydrophobicContact CD1-CG1 3.92Å; I292-I501 HydrophobicContact CG2-CD1 4.18Å; I292-I501 HydrophobicContact CG2-CG2 3.8Å
293V96.8Very high95.7Very high1 Ų142.2 Ų42.21%0.00623%0.231CC..SBendtrans-121.4150.3173.4-57.30000109.3L287 I288 D298 L301 L484L287-V293 HydrophobicContact CB-CG1 4.46Å; L287-V293 HydrophobicContact CB-CG2 3.64Å; L287-V293 PolarHBondContact O-N 3.39Å; I288-V293 HydrophobicContact CG1-CG2 3.7Å; V293-D298 WeakPolarHBondContact CA-OD2 3.43Å; V293-D298 HydrophobicContact CB-CB 3.84Å; V293-D298 HydrophobicContact CG1-CB 4.47Å; V293-L301 HydrophobicContact CG1-CD2 4.24Å; V293-L301 HydrophobicContact CG1-CG 4.46Å; V293-L301 HydrophobicContact CG2-CD1 4.32Å; V293-L484 HydrophobicContact CG1-CD1 4.16Å; V293-L484 HydrophobicContact CG1-CD2 4.14Å
294N94.2Very high95.9Very high112 Ų11240.6 Ų40.660%0.59923%0.225SC*.SBendtrans-73.1-50.1-174.6-68.8-19.4000111.8D298N294-D298 PolarHBondContact N-OD2 3.19Å
295D94.7Very high96Very high77 Ų7741.9 Ų41.941%0.41223%0.233SC..SBendtrans-160.6-172.6-178.8-150.7-17.5000111.1D297 D298 L301D295-D297 PolarHBondContact O-N 3.03Å; D295-D298 VanDerWaalsContact O-CB 3.26Å; D295-D298 WeakPolarHBondContact O-CB 3.4Å; D295-D298 PolarHBondContact O-N 2.83Å; D295-D298 VanDerWaalsContact O-N 3.08Å; D295-L301 WeakPolarHBondContact O-CD1 3.36Å
296W92.5Very high96.1Very high49 Ų4938.5 Ų38.519%0.18622%0.215CC..THydrogen-bonded Turntrans-60.1-23.1179.6-61.898.4000114.8I60 K281 I284 L285 I288 T303 T305I60-W296 HydrophobicContact CG1-CB 3.95Å; I60-W296 HydrophobicContact CG1-CD2 4.15Å; I60-W296 HydrophobicContact CG1-CE3 4.29Å; I60-W296 HydrophobicContact CG1-CG 3.98Å; K281-W296 HydrophobicContact CB-CH2 4.16Å; K281-W296 HydrophobicContact CB-CZ3 4.45Å; K281-W296 HydrophobicContact CG-CH2 3.49Å; K281-W296 VanDerWaalsContact CG-CH2 3.49Å; K281-W296 HydrophobicContact CG-CZ2 4.21Å; K281-W296 HydrophobicContact CG-CZ3 4.16Å; K281-W296 WeakPolarHBondContact O-CH2 3.46Å; I284-W296 HydrophobicContact CB-CE3 4.08Å; I284-W296 HydrophobicContact CB-CH2 3.96Å; I284-W296 HydrophobicContact CB-CZ3 3.46Å; I284-W296 VanDerWaalsContact CB-CZ3 3.46Å; I284-W296 HydrophobicContact CD1-CE3 4.24Å; I284-W296 HydrophobicContact CD1-CZ3 3.9Å; I284-W296 HydrophobicContact CG1-CZ3 4.27Å; I284-W296 HydrophobicContact CG2-CD2 4.16Å; I284-W296 HydrophobicContact CG2-CE3 3.47Å; I284-W296 VanDerWaalsContact CG2-CE3 3.47Å; I284-W296 HydrophobicContact CG2-CH2 3.96Å; I284-W296 HydrophobicContact CG2-CZ3 3.37Å; L285-W296 HydrophobicContact CB-CH2 4.46Å; L285-W296 HydrophobicContact CB-CZ2 4.48Å; L285-W296 HydrophobicContact CD1-CZ2 4.49Å; I288-W296 HydrophobicContact CD1-CD2 4.25Å; I288-W296 HydrophobicContact CD1-CG 4.39Å; I288-W296 HydrophobicContact CD1-CZ2 4.34Å; W296-T303 PolarHBondContact O-OG1 2.56Å; W296-T305 PolarHBondContact O-OG1 3.04Å
297D95.3Very high96.2Very high46 Ų4634 Ų3425%0.24620%0.195CC..THydrogen-bonded Turntrans-97.37.9178.674.7-23.9000113D295 P299 A306 R309D295-D297 PolarHBondContact O-N 3.03Å; D297-P299 VanDerWaalsContact O-CD 3.31Å; D297-P299 WeakPolarHBondContact O-CD 3.34Å; D297-A306 VanDerWaalsContact O-CA 3.3Å; D297-A306 WeakPolarHBondContact O-CA 3.38Å; D297-R309 WeakPolarHBondContact O-CD 3.5Å; D297-R309 IonicContact OD1-NH1 3.46Å; D297-R309 PolarHBondContact OD1-NH1 2.95Å; D297-R309 WeakPolarHBondContact OD2-CD 3.46Å; D297-R309 IonicContact OD2-CZ 3.48Å; D297-R309 IonicContact OD2-NE 2.98Å; D297-R309 IonicContact OD2-NH1 2.69Å; D297-R309 PolarHBondContact OD2-NH1 3.19Å
298D97.4Very high96.3Very high4 Ų436.7 Ų36.72%0.02121%0.205CC..  trans-59.2121.5177.4-172.4-60.9000110.7V293 N294 D295 R300 L301 A306V293-D298 WeakPolarHBondContact CA-OD2 3.43Å; V293-D298 HydrophobicContact CB-CB 3.84Å; V293-D298 HydrophobicContact CG1-CB 4.47Å; N294-D298 PolarHBondContact N-OD2 3.19Å; D295-D298 VanDerWaalsContact O-CB 3.26Å; D295-D298 WeakPolarHBondContact O-CB 3.4Å; D295-D298 PolarHBondContact O-N 2.83Å; D295-D298 VanDerWaalsContact O-N 3.08Å; D298-R300 PolarHBondContact O-N 2.75Å; D298-R300 VanDerWaalsContact OD1-CB 3.3Å; D298-R300 WeakPolarHBondContact OD1-CB 3.49Å; D298-R300 WeakPolarHBondContact OD1-CG 3.21Å; D298-R300 IonicContact OD1-CZ 2.7Å; D298-R300 PolarHBondContact OD1-N 3.22Å; D298-R300 IonicContact OD1-NE 2.76Å; D298-R300 PolarHBondContact OD1-NE 2.73Å; D298-R300 IonicContact OD1-NH2 3.51Å; D298-R300 IonicContact OD2-CZ 3.5Å; D298-R300 IonicContact OD2-NE 3.28Å; D298-R300 PolarHBondContact OD2-NE 2.95Å; D298-R300 IonicContact OD2-NH2 3.42Å; D298-R300 PolarHBondContact OD2-NH2 3.13Å; D298-L301 HydrophobicContact CB-CD1 4.28Å; D298-L301 HydrophobicContact CB-CG 4.35Å; D298-L301 WeakPolarHBondContact O-CB 3.31Å; D298-L301 PolarHBondContact O-N 3.06Å; D298-A306 WeakPolarHBondContact O-CB 3.42Å
299P97.7Very high96.4Very high4 Ų436 Ų363%0.02620%0.2CC..THydrogen-bonded Turntrans-59.7-8.5-174.2-31.840.7000116.7D297 L301 R309 R310 Y481D297-P299 VanDerWaalsContact O-CD 3.31Å; D297-P299 WeakPolarHBondContact O-CD 3.34Å; P299-L301 VanDerWaalsContact C-N 3.31Å; P299-R309 HydrophobicContact CG-CB 4.33Å; P299-R309 HydrophobicContact CG-CG 4.01Å; P299-R310 HydrophobicContact CB-CB 3.78Å; P299-R310 HydrophobicContact CB-CG 4.02Å; P299-R310 HydrophobicContact CG-CB 4.45Å; P299-R310 WeakPolarHBondContact O-CD 3.45Å; P299-R310 PolarHBondContact O-NH1 3.32Å; P299-Y481 HydrophobicContact CB-CD1 3.96Å; P299-Y481 HydrophobicContact CB-CD2 4.03Å; P299-Y481 HydrophobicContact CB-CE1 3.6Å; P299-Y481 HydrophobicContact CB-CE2 3.72Å; P299-Y481 HydrophobicContact CB-CG 4.14Å; P299-Y481 VanDerWaalsContact CB-CZ 3.48Å; P299-Y481 HydrophobicContact CG-CE1 3.99Å; P299-Y481 HydrophobicContact CG-CE2 4.08Å; P299-Y481 WeakPolarHBondContact CG-OH 3.49Å
300R97Very high96.5Very high30 Ų3031 Ų3111%0.11318%0.176CC..THydrogen-bonded Turntrans-78.5-16.6171.6-64.7171.5-77.7-178.8-4.3113I292 D298 Y481 L484 S505I292-R300 PolarHBondContact O-NH1 2.91Å; I292-R300 PolarHBondContact O-NH2 2.97Å; D298-R300 PolarHBondContact O-N 2.75Å; D298-R300 VanDerWaalsContact OD1-CB 3.3Å; D298-R300 WeakPolarHBondContact OD1-CB 3.49Å; D298-R300 WeakPolarHBondContact OD1-CG 3.21Å; D298-R300 IonicContact OD1-CZ 2.7Å; D298-R300 PolarHBondContact OD1-N 3.22Å; D298-R300 IonicContact OD1-NE 2.76Å; D298-R300 PolarHBondContact OD1-NE 2.73Å; D298-R300 IonicContact OD1-NH2 3.51Å; D298-R300 IonicContact OD2-CZ 3.5Å; D298-R300 IonicContact OD2-NE 3.28Å; D298-R300 PolarHBondContact OD2-NE 2.95Å; D298-R300 IonicContact OD2-NH2 3.42Å; D298-R300 PolarHBondContact OD2-NH2 3.13Å; R300-Y481 HydrophobicContact CG-CD1 3.68Å; R300-Y481 HydrophobicContact CG-CE1 4.3Å; R300-L484 HydrophobicContact CB-CB 4.35Å; R300-L484 HydrophobicContact CB-CD1 4.29Å; R300-S505 WeakPolarHBondContact CD-OG 3.33Å
301L97Very high96.6Very high4 Ų428.7 Ų28.72%0.02116%0.157CC..SBendtrans-84.2168.8175.4-59.2176.7000111.4I284 L287 V293 D295 D298 P299 A306 L484I284-L301 HydrophobicContact CG1-CD2 4.4Å; I284-L301 HydrophobicContact CG2-CD1 3.78Å; L287-L301 HydrophobicContact CD1-CD2 4.14Å; V293-L301 HydrophobicContact CG1-CD2 4.24Å; V293-L301 HydrophobicContact CG1-CG 4.46Å; V293-L301 HydrophobicContact CG2-CD1 4.32Å; D295-L301 WeakPolarHBondContact O-CD1 3.36Å; D298-L301 HydrophobicContact CB-CD1 4.28Å; D298-L301 HydrophobicContact CB-CG 4.35Å; D298-L301 WeakPolarHBondContact O-CB 3.31Å; D298-L301 PolarHBondContact O-N 3.06Å; P299-L301 VanDerWaalsContact C-N 3.31Å; L301-A306 HydrophobicContact CB-CB 3.9Å; L301-L484 HydrophobicContact CD2-CD2 4.01Å
302V96Very high96.7Very high18 Ų1826 Ų2611%0.10913%0.127CC..  trans-115.926.2176.2-60.10000111.7H62 I63 L274 V279H62-V302 WeakPolarHBondContact CA-O 3.44Å; H62-V302 WeakPolarHBondContact CB-O 3.48Å; I63-V302 HydrophobicContact CG2-CB 4.28Å; I63-V302 HydrophobicContact CG2-CG2 4.29Å; I63-V302 PolarHBondContact N-O 3.25Å; L274-V302 HydrophobicContact CD1-CG1 4.08Å; V279-V302 HydrophobicContact CG1-CG2 3.51Å
303T96.6Very high96.8Very high3 Ų325 Ų252%0.01812%0.124CC..BIsolated β-bridgetrans-68.2154163.657.50000109.1I60 L61 I284 W296 T305 A306 L307I60-T303 HydrophobicContact CG2-CG2 4.31Å; L61-T303 CarbonylContact O-C 3.45Å; L61-T303 VanDerWaalsContact O-CA 3.32Å; L61-T303 WeakPolarHBondContact O-CA 3.44Å; L61-T303 WeakPolarHBondContact O-CB 3.32Å; I284-T303 HydrophobicContact CD1-CG2 3.96Å; W296-T303 PolarHBondContact O-OG1 2.56Å; T303-T305 VanDerWaalsContact C-N 3.32Å; T303-T305 PolarHBondContact O-N 3.06Å; T303-T305 PolarHBondContact OG1-OG1 3.27Å; T303-A306 PolarHBondContact O-N 2.9Å; T303-A306 WeakPolarHBondContact OG1-CB 3.44Å; T303-A306 PolarHBondContact OG1-N 2.89Å; T303-L307 VanDerWaalsContact O-CG 3.3Å; T303-L307 WeakPolarHBondContact O-CG 3.26Å; T303-L307 PolarHBondContact O-N 2.74Å
304L97.1Very high96.9Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-67.3-35.9-179.5-62.8-172.4000112L61 A66 M106 W109 L110 L307 R308L61-L304 HydrophobicContact CB-CB 4.44Å; L61-L304 HydrophobicContact CB-CD1 3.69Å; L61-L304 HydrophobicContact CB-CG 3.99Å; L61-L304 HydrophobicContact CD1-CD1 4.21Å; L61-L304 PolarHBondContact O-N 2.86Å; A66-L304 HydrophobicContact CB-CD1 4.34Å; A66-L304 HydrophobicContact CB-CD2 3.74Å; M106-L304 HydrophobicContact CB-CD1 4.23Å; M106-L304 HydrophobicContact CG-CB 4.13Å; M106-L304 HydrophobicContact SD-CB 3.69Å; W109-L304 HydrophobicContact CZ3-CB 4.39Å; L110-L304 HydrophobicContact CD1-CD1 4.06Å; L304-L307 HydrophobicContact CD2-CD1 4.4Å; L304-L307 PolarHBondContact O-N 3.4Å; L304-R308 WeakPolarHBondContact O-CB 3.34Å; L304-R308 PolarHBondContact O-N 3Å
305T95.9Very high97Very high30 Ų3024.7 Ų24.718%0.18412%0.121CC..Hα-helixtrans-62.8-42.5173.3520000111.6I60 M106 W296 T303 R308 R309I60-T305 HydrophobicContact CG2-CG2 3.99Å; I60-T305 WeakPolarHBondContact CG2-OG1 3Å; M106-T305 HydrophobicContact CE-CG2 4.23Å; M106-T305 HydrophobicContact CG-CG2 4.49Å; M106-T305 HydrophobicContact SD-CG2 3.96Å; W296-T305 PolarHBondContact O-OG1 3.04Å; T303-T305 VanDerWaalsContact C-N 3.32Å; T303-T305 PolarHBondContact O-N 3.06Å; T303-T305 PolarHBondContact OG1-OG1 3.27Å; T305-R308 PolarHBondContact O-N 3.04Å; T305-R309 WeakPolarHBondContact O-CB 3.3Å; T305-R309 PolarHBondContact O-N 3.4Å
306A97.5Very high97.2Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-64-43174.900000113D297 D298 L301 T303 R308 R309 R310D297-A306 VanDerWaalsContact O-CA 3.3Å; D297-A306 WeakPolarHBondContact O-CA 3.38Å; D298-A306 WeakPolarHBondContact O-CB 3.42Å; L301-A306 HydrophobicContact CB-CB 3.9Å; T303-A306 PolarHBondContact O-N 2.9Å; T303-A306 WeakPolarHBondContact OG1-CB 3.44Å; T303-A306 PolarHBondContact OG1-N 2.89Å; A306-R308 VanDerWaalsContact C-N 3.34Å; A306-R309 PolarHBondContact O-N 3.23Å; A306-R310 WeakPolarHBondContact O-CB 3.42Å; A306-R310 PolarHBondContact O-N 3.13Å
307L97.9Very high97.4Very high3 Ų318.7 Ų18.72%0.0169%0.092CC..Hα-helixtrans-64.4-40.8177-66.2176.8000111.1I63 T303 L304 R310 G311 F312 I317 L338I63-L307 HydrophobicContact CB-CD1 4.35Å; I63-L307 HydrophobicContact CD1-CD1 3.91Å; T303-L307 VanDerWaalsContact O-CG 3.3Å; T303-L307 WeakPolarHBondContact O-CG 3.26Å; T303-L307 PolarHBondContact O-N 2.74Å; L304-L307 HydrophobicContact CD2-CD1 4.4Å; L304-L307 PolarHBondContact O-N 3.4Å; L307-R310 WeakPolarHBondContact O-CB 3.35Å; L307-R310 PolarHBondContact O-N 3.21Å; L307-G311 PolarHBondContact O-N 3.01Å; L307-F312 HydrophobicContact CB-CB 4.26Å; L307-F312 HydrophobicContact CB-CD2 4.35Å; L307-F312 HydrophobicContact CB-CG 4.34Å; L307-F312 HydrophobicContact CD2-CD2 3.81Å; L307-F312 HydrophobicContact CD2-CE2 3.82Å; L307-F312 HydrophobicContact CD2-CG 4.34Å; L307-F312 HydrophobicContact CD2-CZ 4.42Å; L307-F312 VanDerWaalsContact O-CB 3.29Å; L307-F312 WeakPolarHBondContact O-CB 3.3Å; L307-F312 PolarHBondContact O-N 3.21Å; L307-I317 HydrophobicContact CB-CD1 4.24Å; L307-I317 HydrophobicContact CD1-CD1 4.29Å; L307-L338 HydrophobicContact CD1-CD2 4.39Å; L307-L338 HydrophobicContact CD2-CD2 4.44Å
308R98Very high97.4Very high57 Ų5717.8 Ų17.822%0.2159%0.087CC..Hα-helixtrans-59.2-49172.3-178.2177179175.70.9111.1D105 W109 L304 T305 A306 R310 G311 Y524D105-R308 IonicContact OD1-NH1 2.76Å; D105-R308 IonicContact OD2-CZ 2.76Å; D105-R308 IonicContact OD2-NH1 2.99Å; D105-R308 PolarHBondContact OD2-NH1 2.93Å; W109-R308 HydrophobicContact CD2-CB 4.47Å; W109-R308 HydrophobicContact CD2-CG 4.38Å; W109-R308 HydrophobicContact CH2-CB 3.78Å; W109-R308 HydrophobicContact CH2-CG 4.48Å; W109-R308 HydrophobicContact CZ2-CB 3.52Å; W109-R308 HydrophobicContact CZ2-CG 3.76Å; W109-R308 HydrophobicContact CZ3-CB 4.39Å; L304-R308 WeakPolarHBondContact O-CB 3.34Å; L304-R308 PolarHBondContact O-N 3Å; T305-R308 PolarHBondContact O-N 3.04Å; A306-R308 VanDerWaalsContact C-N 3.34Å; R308-R310 VanDerWaalsContact C-N 3.31Å; R308-R310 PolarHBondContact O-N 3.48Å; R308-G311 WeakPolarHBondContact O-CA 3.48Å; R308-G311 PolarHBondContact O-N 3.47Å; R308-Y524 HydrophobicContact CG-CE1 4.26Å
309R98Very high97.3Very high24 Ų2420.2 Ų20.29%0.09110%0.099CC..Hα-helixtrans-62.6-36178.4-173.4168.1-179.8171.75.9113.1D297 P299 T305 A306 G311 D538 P539 D540 N549D297-R309 WeakPolarHBondContact O-CD 3.5Å; D297-R309 IonicContact OD1-NH1 3.46Å; D297-R309 PolarHBondContact OD1-NH1 2.95Å; D297-R309 WeakPolarHBondContact OD2-CD 3.46Å; D297-R309 IonicContact OD2-CZ 3.48Å; D297-R309 IonicContact OD2-NE 2.98Å; D297-R309 IonicContact OD2-NH1 2.69Å; D297-R309 PolarHBondContact OD2-NH1 3.19Å; P299-R309 HydrophobicContact CG-CB 4.33Å; P299-R309 HydrophobicContact CG-CG 4.01Å; T305-R309 WeakPolarHBondContact O-CB 3.3Å; T305-R309 PolarHBondContact O-N 3.4Å; A306-R309 PolarHBondContact O-N 3.23Å; R309-G311 PolarHBondContact O-N 2.65Å; R309-D538 WeakPolarHBondContact CG-OD2 3.29Å; R309-D538 IonicContact CZ-OD1 3.41Å; R309-D538 IonicContact CZ-OD2 3.53Å; R309-D538 IonicContact NE-OD1 3.32Å; R309-D538 IonicContact NE-OD2 2.7Å; R309-D538 PolarHBondContact NE-OD2 3.15Å; R309-D538 IonicContact NH2-OD1 3.42Å; R309-D538 PolarHBondContact NH2-OD1 3.49Å; R309-D538 IonicContact NH2-OD2 2.68Å; R309-D538 PolarHBondContact NH2-OD2 3.34Å; R309-P539 HydrophobicContact CG-CG 4.48Å; R309-D540 IonicContact CZ-OD1 2.8Å; R309-D540 IonicContact NH2-OD1 3.55Å; R309-D540 PolarHBondContact NH2-OD1 3.43Å; R309-D540 IonicContact NH2-OD2 2.75Å; R309-D540 PolarHBondContact NH2-OD2 2.86Å; R309-N549 PolarHBondContact O-ND2 3.36Å
310R98.1Very high97.2Very high36 Ų3620.2 Ų20.214%0.13610%0.099CC..THydrogen-bonded Turntrans-63-17.6171.9-166165.7171.8170.4-8.6113.5P299 A306 L307 R308 F312 S536 T551P299-R310 HydrophobicContact CB-CB 3.78Å; P299-R310 HydrophobicContact CB-CG 4.02Å; P299-R310 HydrophobicContact CG-CB 4.45Å; P299-R310 WeakPolarHBondContact O-CD 3.45Å; P299-R310 PolarHBondContact O-NH1 3.32Å; A306-R310 WeakPolarHBondContact O-CB 3.42Å; A306-R310 PolarHBondContact O-N 3.13Å; L307-R310 WeakPolarHBondContact O-CB 3.35Å; L307-R310 PolarHBondContact O-N 3.21Å; R308-R310 VanDerWaalsContact C-N 3.31Å; R308-R310 PolarHBondContact O-N 3.48Å; R310-F312 HydrophobicContact CB-CD1 3.94Å; R310-F312 HydrophobicContact CB-CE1 4.18Å; R310-F312 VanDerWaalsContact CD-CE1 3.41Å; R310-F312 HydrophobicContact CG-CD1 3.87Å; R310-F312 HydrophobicContact CG-CE1 3.62Å; R310-S536 PolarHBondContact O-OG 2.9Å; R310-T551 PolarHBondContact NE-O 2.99Å; R310-T551 VanDerWaalsContact NE-O 3.14Å; R310-T551 PolarHBondContact NH2-O 2.79Å; R310-T551 VanDerWaalsContact O-CA 3.29Å; R310-T551 WeakPolarHBondContact O-CA 3.43Å; R310-T551 WeakPolarHBondContact O-CB 3.48Å; R310-T551 PolarHBondContact O-OG1 3.06Å
311G98.3Very high97Very high8 Ų819.1 Ų19.18%0.08210%0.096CC..THydrogen-bonded Turntrans94.818.8-17800000114.3L307 R308 R309 P313 S536 T551L307-G311 PolarHBondContact O-N 3.01Å; R308-G311 WeakPolarHBondContact O-CA 3.48Å; R308-G311 PolarHBondContact O-N 3.47Å; R309-G311 PolarHBondContact O-N 2.65Å; G311-P313 VanDerWaalsContact O-CD 3.26Å; G311-P313 WeakPolarHBondContact O-CD 3.44Å; G311-S536 WeakPolarHBondContact CA-OG 3.39Å; G311-S536 PolarHBondContact N-OG 3.48Å; G311-T551 VanDerWaalsContact O-CG2 3.3Å; G311-T551 WeakPolarHBondContact O-CG2 3.48Å
312F98.4Very high96.6Very high5 Ų525.2 Ų25.22%0.02212%0.124CC..  trans-71.6122.2179.5-78.132.4000108.5W109 L307 R310 I317 L338 V342 T551 V552W109-F312 WeakPolarHBondContact CZ2-O 3.5Å; L307-F312 HydrophobicContact CB-CB 4.26Å; L307-F312 HydrophobicContact CB-CD2 4.35Å; L307-F312 HydrophobicContact CB-CG 4.34Å; L307-F312 HydrophobicContact CD2-CD2 3.81Å; L307-F312 HydrophobicContact CD2-CE2 3.82Å; L307-F312 HydrophobicContact CD2-CG 4.34Å; L307-F312 HydrophobicContact CD2-CZ 4.42Å; L307-F312 VanDerWaalsContact O-CB 3.29Å; L307-F312 WeakPolarHBondContact O-CB 3.3Å; L307-F312 PolarHBondContact O-N 3.21Å; R310-F312 HydrophobicContact CB-CD1 3.94Å; R310-F312 HydrophobicContact CB-CE1 4.18Å; R310-F312 VanDerWaalsContact CD-CE1 3.41Å; R310-F312 HydrophobicContact CG-CD1 3.87Å; R310-F312 HydrophobicContact CG-CE1 3.62Å; F312-I317 HydrophobicContact CB-CD1 4.18Å; F312-I317 HydrophobicContact CB-CG1 4.42Å; F312-L338 HydrophobicContact CD2-CD1 4.37Å; F312-L338 HydrophobicContact CD2-CD2 4.01Å; F312-L338 HydrophobicContact CD2-CG 4.1Å; F312-L338 HydrophobicContact CE2-CD1 4.42Å; F312-L338 HydrophobicContact CE2-CD2 3.61Å; F312-L338 HydrophobicContact CE2-CG 3.68Å; F312-V342 HydrophobicContact CB-CG2 4.37Å; F312-V342 HydrophobicContact CD1-CG1 4.45Å; F312-V342 HydrophobicContact CD1-CG2 4.43Å; F312-V342 HydrophobicContact CD2-CG2 3.52Å; F312-V342 HydrophobicContact CE2-CG2 3.77Å; F312-V342 HydrophobicContact CG-CG2 3.87Å; F312-V342 HydrophobicContact CZ-CG2 4.28Å; F312-T551 HydrophobicContact CD1-CG2 3.51Å; F312-T551 HydrophobicContact CE1-CG2 3.75Å; F312-T551 WeakPolarHBondContact CE1-O 3.37Å; F312-V552 HydrophobicContact CE1-CG1 4.18Å; F312-V552 HydrophobicContact CZ-CG1 4.16Å
313P98.1Very high96.2Very high14 Ų1431.1 Ų31.19%0.09114%0.144CC..  trans-66.5138.2176.8-21.935.4000110.5G311 Q315 A316 I317 Y345 L346G311-P313 VanDerWaalsContact O-CD 3.26Å; G311-P313 WeakPolarHBondContact O-CD 3.44Å; P313-Q315 PolarHBondContact O-N 2.94Å; P313-A316 HydrophobicContact CB-CB 4.33Å; P313-A316 WeakPolarHBondContact O-CB 3.24Å; P313-A316 PolarHBondContact O-N 2.78Å; P313-I317 PolarHBondContact O-N 3.25Å; P313-Y345 HydrophobicContact CB-CD1 3.64Å; P313-Y345 HydrophobicContact CB-CE1 3.62Å; P313-Y345 HydrophobicContact CB-CG 4.47Å; P313-Y345 HydrophobicContact CG-CD1 3.62Å; P313-Y345 HydrophobicContact CG-CE1 3.92Å; P313-L346 HydrophobicContact CG-CD1 4.37Å; P313-L346 HydrophobicContact CG-CD2 3.45Å; P313-L346 VanDerWaalsContact CG-CD2 3.45Å; P313-L346 HydrophobicContact CG-CG 3.84Å
314P98.1Very high95.7Very high23 Ų2332.8 Ų32.815%0.14915%0.153CC..Hα-helixtrans-58.7-33.9177.521.6-31.4000112.2W109 L110 A316 I317 N318W109-P314 HydrophobicContact CD2-CB 4.28Å; W109-P314 HydrophobicContact CZ2-CB 4.27Å; W109-P314 WeakPolarHBondContact O-CB 3.32Å; W109-P314 VanDerWaalsContact O-CG 3.31Å; W109-P314 WeakPolarHBondContact O-CG 3.15Å; L110-P314 HydrophobicContact CD2-CB 4.26Å; P314-A316 VanDerWaalsContact C-N 3.31Å; P314-A316 PolarHBondContact O-N 3.26Å; P314-I317 PolarHBondContact O-N 3.19Å; P314-N318 VanDerWaalsContact O-CG 3.28Å; P314-N318 PolarHBondContact O-N 3.17Å
315Q97.9Very high95Very high84 Ų8434 Ų3439%0.39317%0.165SC..Hα-helixtrans-59.3-41.2175.4-59.385.6-13.300111.9P313 N318 M319 Y345P313-Q315 PolarHBondContact O-N 2.94Å; Q315-N318 PolarHBondContact O-N 3.38Å; Q315-M319 WeakPolarHBondContact O-CB 3.41Å; Q315-M319 VanDerWaalsContact O-CG 3.26Å; Q315-M319 WeakPolarHBondContact O-CG 3.31Å; Q315-M319 PolarHBondContact O-N 3.36Å; Q315-Y345 HydrophobicContact CB-CD2 3.71Å; Q315-Y345 HydrophobicContact CB-CE1 4.45Å; Q315-Y345 HydrophobicContact CB-CE2 3.29Å; Q315-Y345 HydrophobicContact CB-CG 4.45Å; Q315-Y345 HydrophobicContact CG-CE2 3.63Å; Q315-Y345 PolarHBondContact NE2-OH 3.12Å
316A97.6Very high94.3Very high0 Ų033.6 Ų33.60%016%0.162CC..Hα-helixtrans-68.3-37178.400000112.2P313 P314 F320 V342 Y345P313-A316 HydrophobicContact CB-CB 4.33Å; P313-A316 WeakPolarHBondContact O-CB 3.24Å; P313-A316 PolarHBondContact O-N 2.78Å; P314-A316 VanDerWaalsContact C-N 3.31Å; P314-A316 PolarHBondContact O-N 3.26Å; A316-F320 WeakPolarHBondContact O-CB 3.08Å; A316-F320 PolarHBondContact O-N 3.35Å; A316-V342 HydrophobicContact CB-CB 4.28Å; A316-V342 HydrophobicContact CB-CG2 3.82Å; A316-Y345 HydrophobicContact CB-CG 4.49Å
317I97.4Very high93.5Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-66-41.9174.8-63.5176.5000110.5I63 A66 W109 L110 L307 F312 P313 P314 F320 C321 L338I63-I317 HydrophobicContact CD1-CG2 4.05Å; A66-I317 HydrophobicContact CB-CG2 3.69Å; W109-I317 HydrophobicContact CH2-CD1 3.45Å; W109-I317 VanDerWaalsContact CH2-CD1 3.45Å; W109-I317 HydrophobicContact CZ2-CD1 4.47Å; W109-I317 HydrophobicContact CZ3-CD1 3.91Å; L110-I317 HydrophobicContact CD2-CB 4.19Å; L110-I317 HydrophobicContact CD2-CD1 4.46Å; L110-I317 HydrophobicContact CD2-CG2 3.94Å; L307-I317 HydrophobicContact CB-CD1 4.24Å; L307-I317 HydrophobicContact CD1-CD1 4.29Å; F312-I317 HydrophobicContact CB-CD1 4.18Å; F312-I317 HydrophobicContact CB-CG1 4.42Å; P313-I317 PolarHBondContact O-N 3.25Å; P314-I317 PolarHBondContact O-N 3.19Å; I317-F320 WeakPolarHBondContact O-CB 3.3Å; I317-F320 PolarHBondContact O-N 2.9Å; I317-C321 PolarHBondContact O-N 2.87Å; I317-C321 PolarHBondContact O-SG 3.13Å; I317-L338 HydrophobicContact CG1-CD1 4.43Å
318N96.5Very high92.5Very high26 Ų2638.7 Ų38.714%0.13919%0.191CC..Hα-helixtrans-62.9-49.4175.5-67-15000111.2N70 L110 P314 Q315 F320 C321 E322N70-N318 PolarHBondContact ND2-OD1 3.31Å; L110-N318 PolarHBondContact O-ND2 2.95Å; P314-N318 VanDerWaalsContact O-CG 3.28Å; P314-N318 PolarHBondContact O-N 3.17Å; Q315-N318 PolarHBondContact O-N 3.38Å; N318-F320 VanDerWaalsContact C-N 3.25Å; N318-F320 PolarHBondContact O-N 3.38Å; N318-C321 PolarHBondContact O-N 3.39Å; N318-E322 WeakPolarHBondContact O-CG 3.27Å; N318-E322 PolarHBondContact O-N 3.03Å
319M94.7Very high91.6Very high56 Ų5638.6 Ų38.628%0.27620%0.202SC..Hα-helixtrans-55.4-40.9174.7-74.7172.961.500112.1Q315 E322 R323 Y345Q315-M319 WeakPolarHBondContact O-CB 3.41Å; Q315-M319 VanDerWaalsContact O-CG 3.26Å; Q315-M319 WeakPolarHBondContact O-CG 3.31Å; Q315-M319 PolarHBondContact O-N 3.36Å; M319-E322 PolarHBondContact O-N 3.07Å; M319-R323 WeakPolarHBondContact O-CB 3.45Å; M319-R323 VanDerWaalsContact O-CG 3.26Å; M319-R323 WeakPolarHBondContact O-CG 3.46Å; M319-R323 PolarHBondContact O-N 2.84Å; M319-Y345 HydrophobicContact SD-CD2 4.27Å
320F95.1Very high90.5Very high4 Ų443.6 Ų43.62%0.01823%0.226CC..Hα-helixtrans-62.2-47.3175.2174.9-116.7000111.8I63 L272 L274 A316 I317 N318 E322 R323 I324 L333 A337 L338 C341I63-F320 HydrophobicContact CD1-CD1 4.36Å; I63-F320 HydrophobicContact CD1-CE1 4.39Å; I63-F320 HydrophobicContact CG1-CE1 4.29Å; L272-F320 HydrophobicContact CD1-CE1 4.29Å; L272-F320 HydrophobicContact CD1-CZ 4.41Å; L272-F320 HydrophobicContact CD2-CD1 4.45Å; L272-F320 HydrophobicContact CD2-CE1 3.87Å; L274-F320 HydrophobicContact CD2-CE1 4.45Å; L274-F320 HydrophobicContact CD2-CZ 4.05Å; A316-F320 WeakPolarHBondContact O-CB 3.08Å; A316-F320 PolarHBondContact O-N 3.35Å; I317-F320 WeakPolarHBondContact O-CB 3.3Å; I317-F320 PolarHBondContact O-N 2.9Å; N318-F320 VanDerWaalsContact C-N 3.25Å; N318-F320 PolarHBondContact O-N 3.38Å; F320-E322 VanDerWaalsContact C-N 3.34Å; F320-E322 PolarHBondContact O-N 3.49Å; F320-R323 PolarHBondContact O-N 3.4Å; F320-I324 HydrophobicContact CD1-CD1 3.87Å; F320-I324 HydrophobicContact CD2-CD1 4Å; F320-I324 HydrophobicContact CD2-CG1 4.43Å; F320-I324 HydrophobicContact CE1-CD1 3.57Å; F320-I324 HydrophobicContact CE2-CD1 3.67Å; F320-I324 HydrophobicContact CE2-CG1 4.2Å; F320-I324 HydrophobicContact CG-CD1 4.12Å; F320-I324 HydrophobicContact CZ-CD1 3.47Å; F320-I324 VanDerWaalsContact CZ-CD1 3.47Å; F320-I324 HydrophobicContact CZ-CG1 4.44Å; F320-I324 WeakPolarHBondContact O-CD1 3.46Å; F320-I324 VanDerWaalsContact O-CG1 3.28Å; F320-I324 WeakPolarHBondContact O-CG1 3.3Å; F320-I324 PolarHBondContact O-N 2.93Å; F320-I324 VanDerWaalsContact O-N 3.12Å; F320-L333 HydrophobicContact CE2-CD1 4.23Å; F320-L333 HydrophobicContact CZ-CD1 3.94Å; F320-A337 HydrophobicContact CE2-CB 3.81Å; F320-L338 HydrophobicContact CB-CD1 3.81Å; F320-L338 HydrophobicContact CD1-CB 4.27Å; F320-L338 HydrophobicContact CD1-CD1 3.65Å; F320-L338 HydrophobicContact CD1-CG 4.42Å; F320-L338 HydrophobicContact CD2-CB 4.18Å; F320-L338 HydrophobicContact CD2-CD1 4.38Å; F320-L338 HydrophobicContact CE1-CB 4.07Å; F320-L338 HydrophobicContact CE1-CD1 4.22Å; F320-L338 HydrophobicContact CE2-CB 4.02Å; F320-L338 HydrophobicContact CG-CB 4.29Å; F320-L338 HydrophobicContact CG-CD1 3.71Å; F320-L338 HydrophobicContact CZ-CB 3.93Å; F320-C341 HydrophobicContact CB-CB 4.07Å
321C93Very high89.4Confident7 Ų744 Ų445%0.04723%0.233CC..Hα-helixtrans-62.5-40.9178.1-65.90000112N70 I317 N318 G325N70-C321 HydrophobicContact CB-CB 3.78Å; I317-C321 PolarHBondContact O-N 2.87Å; I317-C321 PolarHBondContact O-SG 3.13Å; N318-C321 PolarHBondContact O-N 3.39Å; C321-G325 PolarHBondContact O-N 2.98Å
322E89Confident89Confident131 Ų13146.5 Ų46.561%0.61224%0.244SC*.Hα-helixtrans-64.5-45175.7-71.9177.5173.300112.1N318 M319 F320 I324 G325N318-E322 WeakPolarHBondContact O-CG 3.27Å; N318-E322 PolarHBondContact O-N 3.03Å; M319-E322 PolarHBondContact O-N 3.07Å; F320-E322 VanDerWaalsContact C-N 3.34Å; F320-E322 PolarHBondContact O-N 3.49Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 3.31Å; E322-G325 PolarHBondContact O-N 3.29Å; E322-G325 VanDerWaalsContact O-N 3.08Å
323R87.6Confident88.7Confident142 Ų14248.1 Ų48.154%0.53625%0.252SS..Hα-helixtrans-61.5-37.2178.6-79.5176.9-180-176.30.1112.7M319 F320 G325 C341 D344M319-R323 WeakPolarHBondContact O-CB 3.45Å; M319-R323 VanDerWaalsContact O-CG 3.26Å; M319-R323 WeakPolarHBondContact O-CG 3.46Å; M319-R323 PolarHBondContact O-N 2.84Å; F320-R323 PolarHBondContact O-N 3.4Å; R323-G325 VanDerWaalsContact C-N 3.3Å; R323-C341 PolarHBondContact NH1-SG 2.59Å; R323-D344 IonicContact CZ-OD2 3.54Å; R323-D344 IonicContact NH1-OD2 3.81Å; R323-D344 PolarHBondContact NH1-OD2 2.86Å; R323-D344 IonicContact NH2-OD2 2.64Å; R323-D344 PolarHBondContact NH2-OD2 3.46Å
324I86.3Confident88.4Confident39 Ų3949.5 Ų49.520%0.226%0.259CS..Hα-helixtrans-68.3-35.6175.5-64.1161.3000110.8L272 F320 E322 L333L272-I324 HydrophobicContact CD1-CD1 3.85Å; L272-I324 HydrophobicContact CD2-CD1 4.03Å; F320-I324 HydrophobicContact CD1-CD1 3.87Å; F320-I324 HydrophobicContact CD2-CD1 4Å; F320-I324 HydrophobicContact CD2-CG1 4.43Å; F320-I324 HydrophobicContact CE1-CD1 3.57Å; F320-I324 HydrophobicContact CE2-CD1 3.67Å; F320-I324 HydrophobicContact CE2-CG1 4.2Å; F320-I324 HydrophobicContact CG-CD1 4.12Å; F320-I324 HydrophobicContact CZ-CD1 3.47Å; F320-I324 VanDerWaalsContact CZ-CD1 3.47Å; F320-I324 HydrophobicContact CZ-CG1 4.44Å; F320-I324 WeakPolarHBondContact O-CD1 3.46Å; F320-I324 VanDerWaalsContact O-CG1 3.28Å; F320-I324 WeakPolarHBondContact O-CG1 3.3Å; F320-I324 PolarHBondContact O-N 2.93Å; F320-I324 VanDerWaalsContact O-N 3.12Å; E322-I324 VanDerWaalsContact C-N 3.32Å; E322-I324 PolarHBondContact O-N 3.31Å; I324-L333 HydrophobicContact CD1-CD1 3.37Å; I324-L333 HydrophobicContact CG1-CD1 3.55Å; I324-L333 HydrophobicContact CG2-CD1 4.36Å
325G82.1Confident88.2Confident26 Ų2649.7 Ų49.727%0.26826%0.26SS..  trans65.4-164.5-177.600000113.8K67 C321 E322 R323K67-G325 WeakPolarHBondContact CE-O 3.39Å; C321-G325 PolarHBondContact O-N 2.98Å; E322-G325 PolarHBondContact O-N 3.29Å; E322-G325 VanDerWaalsContact O-N 3.08Å; R323-G325 VanDerWaalsContact C-N 3.3Å
326V80.2Confident87.9Confident20 Ų2048.3 Ų48.312%0.12126%0.26CS..  trans-111.7112.9-175.3-176.30000109.2A13 F71A13-V326 HydrophobicContact CB-CB 4.35Å; F71-V326 HydrophobicContact CD1-CG1 4.32Å; F71-V326 HydrophobicContact CD1-CG2 4.04Å; F71-V326 HydrophobicContact CD2-CG2 3.58Å; F71-V326 HydrophobicContact CE1-CB 4.41Å; F71-V326 HydrophobicContact CE1-CG1 3.56Å; F71-V326 HydrophobicContact CE1-CG2 3.92Å; F71-V326 HydrophobicContact CE2-CB 4.4Å; F71-V326 HydrophobicContact CE2-CG1 4.24Å; F71-V326 HydrophobicContact CE2-CG2 3.48Å; F71-V326 VanDerWaalsContact CE2-CG2 3.48Å; F71-V326 HydrophobicContact CG-CG2 3.88Å; F71-V326 HydrophobicContact CZ-CB 4.14Å; F71-V326 HydrophobicContact CZ-CG1 3.51Å; F71-V326 HydrophobicContact CZ-CG2 3.62Å
327T80.7Confident87.7Confident53 Ų5350.2 Ų50.233%0.32528%0.276SS..  trans-133.7157.4174.774.20000109.5G270 A329G270-T327 PolarHBondContact N-O 2.92Å; T327-A329 VanDerWaalsContact C-N 3.26Å
328M78.5Confident87.6Confident57 Ų5750.4 Ų50.428%0.28128%0.277SS..SBendtrans-80.3-5174-71.6-65.5-89.900113.4E12 K243 E268E12-M328 HydrophobicContact CG-CG 4.46Å; K243-M328 WeakPolarHBondContact CD-O 3.43Å; K243-M328 PolarHBondContact NZ-O 2.86Å; E268-M328 VanDerWaalsContact C-SD 3.59Å; E268-M328 HydrophobicContact CB-CE 3.97Å; E268-M328 HydrophobicContact CB-SD 4.11Å
329A77.1Confident87.5Confident55 Ų5551 Ų5146%0.45528%0.28SS..SBendtrans-82.1128.5-179.100000110.4G270 T327 T331G270-A329 WeakPolarHBondContact CA-O 3.35Å; T327-A329 VanDerWaalsContact C-N 3.26Å; A329-T331 PolarHBondContact O-N 3.47Å; A329-T331 PolarHBondContact O-OG1 2.88Å; A329-T331 VanDerWaalsContact O-OG1 3.1Å
330Q75.3Confident87.6Confident129 Ų12949.8 Ų49.860%0.60328%0.279SS*.  trans-65.1124.4165.4-74.6-177.9-14.300107.7
331T76.2Confident87.6Confident44 Ų4449.8 Ų49.827%0.2728%0.279SS..EExtended strand (participates in β ladder)trans-127.5124.3-174.2-43.50000108.6N273 A329 L333N273-T331 PolarHBondContact N-O 3.02Å; A329-T331 PolarHBondContact O-N 3.47Å; A329-T331 PolarHBondContact O-OG1 2.88Å; A329-T331 VanDerWaalsContact O-OG1 3.1Å; T331-L333 HydrophobicContact CG2-CD2 3.55Å; T331-L333 HydrophobicContact CG2-CG 4.01Å
332I89.1Confident87.8Confident61 Ų6149.4 Ų49.431%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-101.2122.6167-48.1178.1000106.3N273 Y275N273-I332 HydrophobicContact CB-CG1 4.31Å; N273-I332 HydrophobicContact CB-CG2 4.36Å; N273-I332 WeakPolarHBondContact O-CA 3.1Å; Y275-I332 HydrophobicContact CD1-CB 4.23Å; Y275-I332 HydrophobicContact CD1-CG2 3.36Å; Y275-I332 HydrophobicContact CD2-CG2 4.04Å; Y275-I332 HydrophobicContact CE1-CB 3.78Å; Y275-I332 HydrophobicContact CE1-CD1 4.24Å; Y275-I332 HydrophobicContact CE1-CG2 3.44Å; Y275-I332 VanDerWaalsContact CE1-CG2 3.44Å; Y275-I332 HydrophobicContact CE2-CB 4.28Å; Y275-I332 HydrophobicContact CE2-CG2 4.09Å; Y275-I332 WeakPolarHBondContact CE2-O 3.48Å; Y275-I332 HydrophobicContact CG-CG2 3.68Å
333L91.8Very high88.2Confident39 Ų3945.2 Ų45.220%0.20426%0.255CS..EExtended strand (participates in β ladder)trans-105.7152.1-176.7-64.1175.3000111.1L272 N273 L274 Y275 F320 I324 T331L272-L333 HydrophobicContact CD1-CD1 3.79Å; L272-L333 HydrophobicContact CD1-CG 4.36Å; N273-L333 PolarHBondContact O-N 3.22Å; L274-L333 CarbonylContact C-O 3.59Å; L274-L333 WeakPolarHBondContact CA-O 3.29Å; L274-L333 HydrophobicContact CD2-CB 3.98Å; Y275-L333 WeakPolarHBondContact CD2-O 3.45Å; Y275-L333 PolarHBondContact N-O 3.15Å; F320-L333 HydrophobicContact CE2-CD1 4.23Å; F320-L333 HydrophobicContact CZ-CD1 3.94Å; I324-L333 HydrophobicContact CD1-CD1 3.37Å; I324-L333 HydrophobicContact CG1-CD1 3.55Å; I324-L333 HydrophobicContact CG2-CD1 4.36Å; T331-L333 HydrophobicContact CG2-CD2 3.55Å; T331-L333 HydrophobicContact CG2-CG 4.01Å
334D92.9Very high88.6Confident44 Ų4441.9 Ų41.924%0.23525%0.248CC..  trans-70.8135169.5-167.7-83.8000109.7Y275 S336 A337 R483Y275-D334 HydrophobicContact CD2-CB 4.49Å; D334-S336 PolarHBondContact O-N 3.27Å; D334-S336 WeakPolarHBondContact OD1-CB 3.34Å; D334-S336 PolarHBondContact OD1-N 3.18Å; D334-S336 PolarHBondContact OD1-OG 2.91Å; D334-A337 WeakPolarHBondContact O-CB 3.36Å; D334-A337 PolarHBondContact O-N 3.42Å; D334-R483 IonicContact OD1-NH2 3.31Å; D334-R483 IonicContact OD2-NH2 3.87Å
335P92.9Very high89.1Confident26 Ų2641.9 Ų41.917%0.16925%0.246CC..Hα-helixtrans-53.9-26.7178-27.534.3000114.1L274 Y275 Y276 A337 L338 D339L274-P335 HydrophobicContact CB-CG 4.45Å; Y275-P335 VanDerWaalsContact O-CG 3.24Å; Y275-P335 WeakPolarHBondContact O-CG 3.45Å; Y276-P335 HydrophobicContact CD2-CG 4.28Å; P335-A337 PolarHBondContact O-N 3.14Å; P335-A337 VanDerWaalsContact O-N 3.13Å; P335-L338 WeakPolarHBondContact O-CB 3.17Å; P335-L338 PolarHBondContact O-N 2.86Å; P335-D339 PolarHBondContact O-N 2.84Å
336S92.2Very high89.8Confident56 Ų5640.9 Ų40.939%0.39223%0.234SC..Hα-helixtrans-58-26.4177.459.60000113.7D334 D339 A340D334-S336 PolarHBondContact O-N 3.27Å; D334-S336 WeakPolarHBondContact OD1-CB 3.34Å; D334-S336 PolarHBondContact OD1-N 3.18Å; D334-S336 PolarHBondContact OD1-OG 2.91Å; S336-D339 PolarHBondContact O-N 3.25Å; S336-A340 VanDerWaalsContact O-CB 3.32Å; S336-A340 WeakPolarHBondContact O-CB 3.44Å; S336-A340 PolarHBondContact O-N 3.43Å
337A93Very high90.5Very high40 Ų4043.3 Ų43.333%0.33125%0.247SC..Hα-helixtrans-68.4-37.5175.800000112F320 D334 P335 C341F320-A337 HydrophobicContact CE2-CB 3.81Å; D334-A337 WeakPolarHBondContact O-CB 3.36Å; D334-A337 PolarHBondContact O-N 3.42Å; P335-A337 PolarHBondContact O-N 3.14Å; P335-A337 VanDerWaalsContact O-N 3.13Å; A337-C341 PolarHBondContact O-N 2.72Å; A337-C341 PolarHBondContact O-SG 2.82Å
338L95.3Very high91.2Very high4 Ų445.6 Ų45.62%0.02126%0.257CS..Hα-helixtrans-70.9-46.1172.7175.859.9000110.1I63 L274 L307 F312 I317 F320 P335 A340 C341 V342I63-L338 HydrophobicContact CD1-CD2 4.16Å; L274-L338 HydrophobicContact CD1-CD2 4.16Å; L307-L338 HydrophobicContact CD1-CD2 4.39Å; L307-L338 HydrophobicContact CD2-CD2 4.44Å; F312-L338 HydrophobicContact CD2-CD1 4.37Å; F312-L338 HydrophobicContact CD2-CD2 4.01Å; F312-L338 HydrophobicContact CD2-CG 4.1Å; F312-L338 HydrophobicContact CE2-CD1 4.42Å; F312-L338 HydrophobicContact CE2-CD2 3.61Å; F312-L338 HydrophobicContact CE2-CG 3.68Å; I317-L338 HydrophobicContact CG1-CD1 4.43Å; F320-L338 HydrophobicContact CB-CD1 3.81Å; F320-L338 HydrophobicContact CD1-CB 4.27Å; F320-L338 HydrophobicContact CD1-CD1 3.65Å; F320-L338 HydrophobicContact CD1-CG 4.42Å; F320-L338 HydrophobicContact CD2-CB 4.18Å; F320-L338 HydrophobicContact CD2-CD1 4.38Å; F320-L338 HydrophobicContact CE1-CB 4.07Å; F320-L338 HydrophobicContact CE1-CD1 4.22Å; F320-L338 HydrophobicContact CE2-CB 4.02Å; F320-L338 HydrophobicContact CG-CB 4.29Å; F320-L338 HydrophobicContact CG-CD1 3.71Å; F320-L338 HydrophobicContact CZ-CB 3.93Å; P335-L338 WeakPolarHBondContact O-CB 3.17Å; P335-L338 PolarHBondContact O-N 2.86Å; L338-A340 PolarHBondContact O-N 2.87Å; L338-C341 PolarHBondContact O-N 3.24Å; L338-V342 HydrophobicContact CD1-CG2 4.36Å; L338-V342 WeakPolarHBondContact O-CG2 3.3Å; L338-V342 PolarHBondContact O-N 3.26Å
339D95.5Very high92Very high37 Ų3747.7 Ų47.720%0.19827%0.266CS..Hα-helixtrans-58.6-33.8177.4-68.8-12.7000112.3P335 S336 V342 R343 V552P335-D339 PolarHBondContact O-N 2.84Å; S336-D339 PolarHBondContact O-N 3.25Å; D339-V342 PolarHBondContact O-N 3.2Å; D339-R343 VanDerWaalsContact O-CB 3.27Å; D339-R343 WeakPolarHBondContact O-CB 3.46Å; D339-R343 PolarHBondContact O-N 3.38Å; D339-V552 HydrophobicContact CB-CG1 3.86Å
340A94.9Very high93Very high32 Ų3245.1 Ų45.126%0.26425%0.245SC..Hα-helixtrans-63.3-47174.100000111.8S336 L338 V342 R343 D344S336-A340 VanDerWaalsContact O-CB 3.32Å; S336-A340 WeakPolarHBondContact O-CB 3.44Å; S336-A340 PolarHBondContact O-N 3.43Å; L338-A340 PolarHBondContact O-N 2.87Å; A340-V342 VanDerWaalsContact C-N 3.29Å; A340-V342 PolarHBondContact O-N 3Å; A340-R343 PolarHBondContact O-N 2.91Å; A340-D344 WeakPolarHBondContact O-CB 3.41Å; A340-D344 PolarHBondContact O-N 2.98Å
341C96.3Very high94Very high3 Ų340.1 Ų40.12%0.0222%0.223CC..Hα-helixtrans-62.6-38.8177.1-58.90000111.8F320 R323 A337 L338 Y345F320-C341 HydrophobicContact CB-CB 4.07Å; R323-C341 PolarHBondContact NH1-SG 2.59Å; A337-C341 PolarHBondContact O-N 2.72Å; A337-C341 PolarHBondContact O-SG 2.82Å; L338-C341 PolarHBondContact O-N 3.24Å; C341-Y345 PolarHBondContact O-N 3.4Å; C341-Y345 VanDerWaalsContact O-N 3.13Å
342V97.9Very high95Very high0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-65.1-45.2176175.10000111.3F312 A316 L338 D339 A340 Y345 L346 T551 V552F312-V342 HydrophobicContact CB-CG2 4.37Å; F312-V342 HydrophobicContact CD1-CG1 4.45Å; F312-V342 HydrophobicContact CD1-CG2 4.43Å; F312-V342 HydrophobicContact CD2-CG2 3.52Å; F312-V342 HydrophobicContact CE2-CG2 3.77Å; F312-V342 HydrophobicContact CG-CG2 3.87Å; F312-V342 HydrophobicContact CZ-CG2 4.28Å; A316-V342 HydrophobicContact CB-CB 4.28Å; A316-V342 HydrophobicContact CB-CG2 3.82Å; L338-V342 HydrophobicContact CD1-CG2 4.36Å; L338-V342 WeakPolarHBondContact O-CG2 3.3Å; L338-V342 PolarHBondContact O-N 3.26Å; D339-V342 PolarHBondContact O-N 3.2Å; A340-V342 VanDerWaalsContact C-N 3.29Å; A340-V342 PolarHBondContact O-N 3Å; V342-Y345 PolarHBondContact O-N 3.29Å; V342-L346 HydrophobicContact CG1-CD1 3.6Å; V342-L346 HydrophobicContact CG1-CG 4.27Å; V342-L346 WeakPolarHBondContact O-CB 3.14Å; V342-L346 VanDerWaalsContact O-CG 3.31Å; V342-L346 WeakPolarHBondContact O-CG 3.44Å; V342-L346 PolarHBondContact O-N 2.93Å; V342-T551 HydrophobicContact CG1-CG2 3.78Å; V342-V552 HydrophobicContact CB-CG1 4.13Å; V342-V552 HydrophobicContact CG1-CG1 3.87Å; V342-V552 HydrophobicContact CG1-CG2 3.94Å
343R96.5Very high95.4Very high42 Ų4236.1 Ų36.116%0.15820%0.2CC..Hα-helixtrans-62.9-45.3177.4-173.1-176.5-6195.56.8112.1D339 A340 Y345 L346 N347 F534 V552 A553 L554D339-R343 VanDerWaalsContact O-CB 3.27Å; D339-R343 WeakPolarHBondContact O-CB 3.46Å; D339-R343 PolarHBondContact O-N 3.38Å; A340-R343 PolarHBondContact O-N 2.91Å; R343-Y345 VanDerWaalsContact C-N 3.34Å; R343-Y345 PolarHBondContact O-N 3.08Å; R343-L346 PolarHBondContact O-N 3.44Å; R343-N347 VanDerWaalsContact O-CB 3.3Å; R343-N347 WeakPolarHBondContact O-CB 3.3Å; R343-N347 PolarHBondContact O-N 3.18Å; R343-F534 HydrophobicContact CG-CE2 3.86Å; R343-V552 HydrophobicContact CB-CG2 4.24Å; R343-A553 PolarHBondContact NE-O 2.94Å; R343-A553 PolarHBondContact NH2-O 2.82Å; R343-L554 VanDerWaalsContact CD-O 3.3Å; R343-L554 WeakPolarHBondContact CD-O 3.29Å; R343-L554 PolarHBondContact NE-O 3.32Å
344D95.1Very high95.7Very high72 Ų7234.4 Ų34.439%0.38519%0.191SC..Hα-helixtrans-55.8-51.4177.5-69-11.8000109.8R323 A340R323-D344 IonicContact CZ-OD2 3.54Å; R323-D344 IonicContact NH1-OD2 3.81Å; R323-D344 PolarHBondContact NH1-OD2 2.86Å; R323-D344 IonicContact NH2-OD2 2.64Å; R323-D344 PolarHBondContact NH2-OD2 3.46Å; A340-D344 WeakPolarHBondContact O-CB 3.41Å; A340-D344 PolarHBondContact O-N 2.98Å
345Y97.2Very high95.9Very high40 Ų4032.3 Ų32.316%0.15718%0.179CC..Hα-helixtrans-64.1-48.7-179.8-176.1-88.2000112.3P313 Q315 A316 M319 C341 V342 R343 N347 D348 H349P313-Y345 HydrophobicContact CB-CD1 3.64Å; P313-Y345 HydrophobicContact CB-CE1 3.62Å; P313-Y345 HydrophobicContact CB-CG 4.47Å; P313-Y345 HydrophobicContact CG-CD1 3.62Å; P313-Y345 HydrophobicContact CG-CE1 3.92Å; Q315-Y345 HydrophobicContact CB-CD2 3.71Å; Q315-Y345 HydrophobicContact CB-CE1 4.45Å; Q315-Y345 HydrophobicContact CB-CE2 3.29Å; Q315-Y345 HydrophobicContact CB-CG 4.45Å; Q315-Y345 HydrophobicContact CG-CE2 3.63Å; Q315-Y345 PolarHBondContact NE2-OH 3.12Å; A316-Y345 HydrophobicContact CB-CG 4.49Å; M319-Y345 HydrophobicContact SD-CD2 4.27Å; C341-Y345 PolarHBondContact O-N 3.4Å; C341-Y345 VanDerWaalsContact O-N 3.13Å; V342-Y345 PolarHBondContact O-N 3.29Å; R343-Y345 VanDerWaalsContact C-N 3.34Å; R343-Y345 PolarHBondContact O-N 3.08Å; Y345-N347 VanDerWaalsContact C-N 3.3Å; Y345-N347 PolarHBondContact O-N 3.2Å; Y345-D348 PolarHBondContact O-N 2.84Å; Y345-D348 VanDerWaalsContact O-N 3.17Å; Y345-H349 HydrophobicContact CD1-CB 4.31Å; Y345-H349 AromaticContact CD1-ND1 3.92Å; Y345-H349 AromaticContact CD2-CE1 3.87Å; Y345-H349 AromaticContact CD2-ND1 3.82Å; Y345-H349 HydrophobicContact CE1-CB 3.88Å; Y345-H349 AromaticContact CE1-CG 3.76Å; Y345-H349 AromaticContact CE1-ND1 3.82Å; Y345-H349 AromaticContact CE2-CE1 3.55Å; Y345-H349 AromaticContact CE2-ND1 3.68Å; Y345-H349 AromaticContact CE2-NE2 3.94Å; Y345-H349 AromaticContact CG-ND1 3.94Å; Y345-H349 AromaticContact CZ-CD2 3.92Å; Y345-H349 AromaticContact CZ-CE1 3.88Å; Y345-H349 AromaticContact CZ-CG 3.72Å; Y345-H349 AromaticContact CZ-ND1 3.69Å; Y345-H349 PolarHBondContact O-N 2.79Å; Y345-H349 PolarHBondContact O-ND1 3.07Å
346L97.5Very high96.2Very high4 Ų431 Ų312%0.02117%0.171CC..Hα-helixtrans-69.2-27.7-175.9-70.4175.8000112.7P313 V342 R343 D348 H349 A350 A526 F534 T551P313-L346 HydrophobicContact CG-CD1 4.37Å; P313-L346 HydrophobicContact CG-CD2 3.45Å; P313-L346 VanDerWaalsContact CG-CD2 3.45Å; P313-L346 HydrophobicContact CG-CG 3.84Å; V342-L346 HydrophobicContact CG1-CD1 3.6Å; V342-L346 HydrophobicContact CG1-CG 4.27Å; V342-L346 WeakPolarHBondContact O-CB 3.14Å; V342-L346 VanDerWaalsContact O-CG 3.31Å; V342-L346 WeakPolarHBondContact O-CG 3.44Å; V342-L346 PolarHBondContact O-N 2.93Å; R343-L346 PolarHBondContact O-N 3.44Å; L346-D348 PolarHBondContact O-N 2.83Å; L346-H349 PolarHBondContact O-N 3.21Å; L346-A350 HydrophobicContact CB-CB 4.25Å; L346-A350 HydrophobicContact CD2-CB 4.28Å; L346-A350 WeakPolarHBondContact O-CB 3.32Å; L346-A350 PolarHBondContact O-N 2.89Å; L346-A526 HydrophobicContact CD2-CB 3.79Å; L346-F534 VanDerWaalsContact C-CE1 3.42Å; L346-F534 HydrophobicContact CB-CB 4.47Å; L346-F534 HydrophobicContact CB-CD1 3.44Å; L346-F534 VanDerWaalsContact CB-CD1 3.44Å; L346-F534 HydrophobicContact CB-CD2 4.48Å; L346-F534 HydrophobicContact CB-CE1 3.62Å; L346-F534 HydrophobicContact CB-CG 3.88Å; L346-F534 HydrophobicContact CB-CZ 4.24Å; L346-F534 HydrophobicContact CD1-CB 3.68Å; L346-F534 HydrophobicContact CD1-CD1 4.21Å; L346-F534 HydrophobicContact CD1-CG 3.98Å; L346-F534 HydrophobicContact CG-CD1 4.4Å; L346-F534 WeakPolarHBondContact O-CE1 3.4Å; L346-T551 HydrophobicContact CD1-CG2 3.91Å
347N94.8Very high96.5Very high72 Ų7229 Ų2939%0.38516%0.156SC..Hα-helixtrans-57.2-32.6173.6-178.776.1000112.4R343 Y345 R352 F534R343-N347 VanDerWaalsContact O-CB 3.3Å; R343-N347 WeakPolarHBondContact O-CB 3.3Å; R343-N347 PolarHBondContact O-N 3.18Å; Y345-N347 VanDerWaalsContact C-N 3.3Å; Y345-N347 PolarHBondContact O-N 3.2Å; N347-R352 PolarHBondContact O-NH1 2.78Å; N347-R352 PolarHBondContact O-NH2 3.36Å; N347-R352 PolarHBondContact OD1-NH2 3.34Å; N347-F534 HydrophobicContact CB-CZ 4.18Å
348D94.2Very high96.6Very high100 Ų10031.5 Ų31.554%0.53516%0.161SC..Hα-helixtrans-95-17.4-176.2-61.1-13.4000112.5Y345 L346 F384Y345-D348 PolarHBondContact O-N 2.84Å; Y345-D348 VanDerWaalsContact O-N 3.17Å; L346-D348 PolarHBondContact O-N 2.83Å; D348-F384 WeakPolarHBondContact O-CE1 3.31Å
349H96.1Very high96.7Very high101 Ų10133.8 Ų33.847%0.46818%0.176SC..Hα-helixtrans-123.3-17.5-170-61.285.1000115.3Y345 L346 F384Y345-H349 HydrophobicContact CD1-CB 4.31Å; Y345-H349 AromaticContact CD1-ND1 3.92Å; Y345-H349 AromaticContact CD2-CE1 3.87Å; Y345-H349 AromaticContact CD2-ND1 3.82Å; Y345-H349 HydrophobicContact CE1-CB 3.88Å; Y345-H349 AromaticContact CE1-CG 3.76Å; Y345-H349 AromaticContact CE1-ND1 3.82Å; Y345-H349 AromaticContact CE2-CE1 3.55Å; Y345-H349 AromaticContact CE2-ND1 3.68Å; Y345-H349 AromaticContact CE2-NE2 3.94Å; Y345-H349 AromaticContact CG-ND1 3.94Å; Y345-H349 AromaticContact CZ-CD2 3.92Å; Y345-H349 AromaticContact CZ-CE1 3.88Å; Y345-H349 AromaticContact CZ-CG 3.72Å; Y345-H349 AromaticContact CZ-ND1 3.69Å; Y345-H349 PolarHBondContact O-N 2.79Å; Y345-H349 PolarHBondContact O-ND1 3.07Å; L346-H349 PolarHBondContact O-N 3.21Å; H349-F384 VanDerWaalsContact C-CE1 3.48Å; H349-F384 WeakPolarHBondContact O-CZ 3.27Å
350A97.4Very high96.8Very high1 Ų132.4 Ų32.41%0.00817%0.169CC..SBendtrans-90.4120.1178.300000110.9L346 Q528 F534L346-A350 HydrophobicContact CB-CB 4.25Å; L346-A350 HydrophobicContact CD2-CB 4.28Å; L346-A350 WeakPolarHBondContact O-CB 3.32Å; L346-A350 PolarHBondContact O-N 2.89Å; A350-Q528 HydrophobicContact CB-CB 4.45Å; A350-F534 HydrophobicContact CB-CD1 3.85Å; A350-F534 HydrophobicContact CB-CE1 4.05Å
351P97.4Very high96.9Very high24 Ų2433.5 Ų33.516%0.15617%0.169CC..PPolyproline II helixtrans-61.2144.5173.623.4-32.4000111.2D383 F384 A526 Y527 Q528P351-D383 CarbonylContact C-O 3.52Å; P351-D383 WeakPolarHBondContact CA-O 3.18Å; P351-D383 HydrophobicContact CB-CB 3.77Å; P351-F384 HydrophobicContact CB-CZ 4.43Å; P351-A526 WeakPolarHBondContact CD-O 3.28Å; P351-Y527 HydrophobicContact CB-CD1 4.43Å; P351-Y527 HydrophobicContact CG-CD1 3.63Å; P351-Y527 HydrophobicContact CG-CE1 3.79Å; P351-Q528 PolarHBondContact O-N 2.91Å
352R96.8Very high97.1Very high19 Ų1933.4 Ų33.47%0.07217%0.168CC..EExtended strand (participates in β ladder)trans-81.3131.5178.1-81.468.3-178.1-166.85.6108.9N347 D383 P385 H393 Q528 E530N347-R352 PolarHBondContact O-NH1 2.78Å; N347-R352 PolarHBondContact O-NH2 3.36Å; N347-R352 PolarHBondContact OD1-NH2 3.34Å; R352-D383 WeakPolarHBondContact CD-O 3.47Å; R352-D383 PolarHBondContact N-O 3.39Å; R352-P385 HydrophobicContact CG-CG 4.3Å; R352-H393 PolarHBondContact O-CE1 2.83Å; R352-Q528 WeakPolarHBondContact CA-O 3.37Å; R352-Q528 HydrophobicContact CG-CB 4.27Å; R352-Q528 VanDerWaalsContact CZ-OE1 3.31Å; R352-Q528 VanDerWaalsContact NH2-OE1 3.12Å; R352-E530 HydrophobicContact CB-CG 4.29Å
353V97.7Very high97.1Very high3 Ų334 Ų342%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-138.2155.9175.2-60.10000109.1I514 E515 V518 Y527 Q528 F529 E530V353-I514 HydrophobicContact CG2-CD1 4.19Å; V353-E515 HydrophobicContact CB-CG 4.16Å; V353-E515 WeakPolarHBondContact CB-OE1 3.38Å; V353-E515 WeakPolarHBondContact CG1-OE1 3.26Å; V353-V518 HydrophobicContact CB-CG1 4.32Å; V353-V518 HydrophobicContact CG1-CG1 3.89Å; V353-V518 HydrophobicContact CG2-CG1 4.42Å; V353-Y527 HydrophobicContact CB-CD1 4.45Å; V353-Y527 HydrophobicContact CG1-CD1 3.49Å; V353-Y527 VanDerWaalsContact CG1-CD1 3.49Å; V353-Y527 HydrophobicContact CG1-CE1 4Å; V353-Y527 HydrophobicContact CG1-CG 4.33Å; V353-Y527 HydrophobicContact CG2-CD1 4.1Å; V353-Y527 HydrophobicContact CG2-CG 4.12Å; V353-Q528 PolarHBondContact N-O 3.13Å; V353-F529 HydrophobicContact CG2-CD1 3.47Å; V353-F529 VanDerWaalsContact CG2-CD1 3.47Å; V353-F529 HydrophobicContact CG2-CE1 3.76Å; V353-F529 WeakPolarHBondContact O-CA 3.48Å; V353-E530 PolarHBondContact O-N 3.47Å
354M97.6Very high97.2Very high2 Ų232 Ų321%0.0116%0.164CC..  trans-94.6126.1175.2-59.7-177.2-69.800110.4V395 Y429 H468 W469 V470 E515 E530M354-V395 HydrophobicContact CE-CB 4.26Å; M354-V395 HydrophobicContact CE-CG1 4.14Å; M354-V395 HydrophobicContact CE-CG2 3.89Å; M354-Y429 HydrophobicContact SD-CD2 4.17Å; M354-H468 HydrophobicContact CG-CB 4.23Å; M354-W469 WeakPolarHBondContact CB-O 3.4Å; M354-W469 HydrophobicContact CE-CD2 4.44Å; M354-W469 HydrophobicContact CE-CH2 4.22Å; M354-W469 HydrophobicContact CE-CZ2 3.99Å; M354-W469 HydrophobicContact SD-CD2 4.39Å; M354-W469 HydrophobicContact SD-CG 4.47Å; M354-V470 HydrophobicContact CB-CG2 4.01Å; M354-V470 VanDerWaalsContact O-CG2 3.28Å; M354-V470 WeakPolarHBondContact O-CG2 3.41Å; M354-E515 WeakPolarHBondContact CB-OE2 3.35Å; M354-E515 PolarHBondContact N-OE2 2.83Å; M354-E515 PolarHBondContact O-N 2.73Å; M354-E515 VanDerWaalsContact O-N 3.1Å; M354-E530 HydrophobicContact CG-CG 4.42Å
355A98.3Very high97.3Very high0 Ų031.1 Ų31.10%016%0.162CC..EExtended strand (participates in β ladder)trans-136151172.600000108.7H468 F476 L513 I514 F529 I532A355-H468 PolarHBondContact O-CD2 3.3Å; A355-H468 PolarHBondContact O-NE2 3.02Å; A355-H468 VanDerWaalsContact O-NE2 3.15Å; A355-F476 HydrophobicContact CB-CE1 4.34Å; A355-F476 HydrophobicContact CB-CZ 4.32Å; A355-L513 CarbonylContact C-O 3.4Å; A355-L513 VanDerWaalsContact CA-O 3.25Å; A355-L513 WeakPolarHBondContact CA-O 3.4Å; A355-I514 HydrophobicContact CB-CB 4.13Å; A355-I514 HydrophobicContact CB-CD1 4.02Å; A355-I514 HydrophobicContact CB-CG1 3.92Å; A355-F529 HydrophobicContact CB-CB 4.18Å; A355-F529 HydrophobicContact CB-CD1 4.21Å; A355-F529 HydrophobicContact CB-CD2 3.49Å; A355-F529 VanDerWaalsContact CB-CD2 3.49Å; A355-F529 HydrophobicContact CB-CE1 4.5Å; A355-F529 HydrophobicContact CB-CE2 3.83Å; A355-F529 HydrophobicContact CB-CG 3.7Å; A355-F529 HydrophobicContact CB-CZ 4.33Å; A355-I532 WeakPolarHBondContact O-CD1 3.17Å
356V98.4Very high97.3Very high0 Ų030.2 Ų30.20%016%0.16CC..EExtended strand (participates in β ladder)trans-129.8115.5177.2172.40000107.3P359 I403 E404 V470 L513V356-P359 VanDerWaalsContact CG1-CA 3.47Å; V356-P359 HydrophobicContact CG1-CB 3.83Å; V356-I403 VanDerWaalsContact CG1-C 3.49Å; V356-I403 WeakPolarHBondContact CG1-O 3.38Å; V356-E404 WeakPolarHBondContact CA-OE1 3.46Å; V356-E404 HydrophobicContact CG1-CG 4.36Å; V356-V470 HydrophobicContact CG2-CB 4.49Å; V356-V470 HydrophobicContact CG2-CG2 4.02Å; V356-L513 HydrophobicContact CB-CB 4.5Å; V356-L513 PolarHBondContact N-O 3.2Å; V356-L513 PolarHBondContact O-N 3.05Å
357L98.1Very high97.3Very high13 Ų1330.3 Ų30.37%0.06816%0.16CC..SBendtrans-81.3-44.1-178.3-57.1-173.3000111.8P359 E404 F476 A478 L480 I509 A512 I532 F535L357-P359 WeakPolarHBondContact O-CD 3.4Å; L357-E404 PolarHBondContact N-OE1 2.88Å; L357-F476 HydrophobicContact CD2-CE2 4.24Å; L357-F476 HydrophobicContact CD2-CZ 3.64Å; L357-A478 HydrophobicContact CD2-CB 3.69Å; L357-L480 HydrophobicContact CD1-CD1 4.37Å; L357-L480 HydrophobicContact CD1-CD2 4.13Å; L357-I509 HydrophobicContact CB-CD1 3.9Å; L357-I509 HydrophobicContact CD1-CD1 4.31Å; L357-I509 VanDerWaalsContact O-CG2 3.32Å; L357-I509 WeakPolarHBondContact O-CG2 3.39Å; L357-A512 HydrophobicContact CD2-CB 3.94Å; L357-I532 HydrophobicContact CD1-CG2 3.88Å; L357-I532 HydrophobicContact CG-CD1 4.12Å; L357-F535 HydrophobicContact CD1-CZ 4.23Å
358E96.5Very high97.4Very high92 Ų9230.8 Ų30.843%0.4317%0.168SC..SBendtrans-115.687.5177.4-69.4-172.3-149.300110.5E404 S405E358-E404 PolarHBondContact N-OE2 3.28Å; E358-E404 VanDerWaalsContact N-OE2 3.16Å; E358-E404 CarbonylContact O-C 3.52Å; E358-S405 WeakPolarHBondContact CB-OG 3.4Å; E358-S405 WeakPolarHBondContact O-CB 3.5Å; E358-S405 PolarHBondContact O-N 2.87Å; E358-S405 PolarHBondContact OE2-OG 2.69Å; E358-S405 VanDerWaalsContact OE2-OG 3.05Å
359P97.5Very high97.5Very high53 Ų5333.7 Ų33.734%0.34418%0.178SC..EExtended strand (participates in β ladder)trans-74.2139.2-168.728.8-35.8000114.3V356 L357 Y402 L513V356-P359 VanDerWaalsContact CG1-CA 3.47Å; V356-P359 HydrophobicContact CG1-CB 3.83Å; L357-P359 WeakPolarHBondContact O-CD 3.4Å; P359-Y402 HydrophobicContact CB-CD1 3.91Å; P359-L513 HydrophobicContact CB-CD1 3.49Å; P359-L513 VanDerWaalsContact CB-CD1 3.49Å; P359-L513 HydrophobicContact CB-CG 4.16Å; P359-L513 HydrophobicContact CG-CD1 3.88Å; P359-L513 HydrophobicContact CG-CG 4.14Å
360I96.8Very high97.5Very high8 Ų830.9 Ų30.94%0.04117%0.167CC..EExtended strand (participates in β ladder)trans-118.3133.3159-64.7-176.5000108.1Y402 I403 I447 L450I360-Y402 WeakPolarHBondContact O-CA 3.45Å; I360-I403 PolarHBondContact N-O 2.88Å; I360-I403 PolarHBondContact O-N 3.08Å; I360-I403 VanDerWaalsContact O-N 3.13Å; I360-I447 HydrophobicContact CD1-CB 4.32Å; I360-I447 HydrophobicContact CD1-CG2 4.17Å; I360-I447 HydrophobicContact CG2-CG2 4.32Å; I360-L450 HydrophobicContact CG2-CD1 4.16Å; I360-L450 HydrophobicContact CG2-CG 3.93Å
361I98.2Very high97.4Very high55 Ų5533.1 Ų33.128%0.28218%0.175SC..EExtended strand (participates in β ladder)trans-71.7137.3176.3-60.2165.4000109.1Y402 S448 H449 L450I361-Y402 HydrophobicContact CB-CE1 4.48Å; I361-Y402 HydrophobicContact CD1-CE1 4.37Å; I361-Y402 HydrophobicContact CG1-CD1 3.93Å; I361-Y402 HydrophobicContact CG1-CE1 3.47Å; I361-Y402 VanDerWaalsContact CG1-CE1 3.47Å; I361-S448 PolarHBondContact N-O 2.72Å; I361-H449 WeakPolarHBondContact CG2-NE2 3.01Å; I361-H449 CarbonylContact O-C 3.6Å; I361-H449 WeakPolarHBondContact O-CA 3.38Å; I361-H449 PolarHBondContact O-CD2 3.48Å; I361-L450 PolarHBondContact O-N 2.98Å
362V98.5Very high97.3Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-126.3125.7174.2-178.40000108.8E400 L401 I403 L450 V452V362-E400 WeakPolarHBondContact O-CA 3.44Å; V362-L401 HydrophobicContact CB-CD1 3.62Å; V362-L401 HydrophobicContact CB-CG 4.1Å; V362-L401 HydrophobicContact CG1-CD1 4.1Å; V362-L401 HydrophobicContact CG1-CG 4.48Å; V362-L401 HydrophobicContact CG2-CD1 4.02Å; V362-L401 PolarHBondContact N-O 3.3Å; V362-L401 PolarHBondContact O-N 2.99Å; V362-I403 HydrophobicContact CG2-CB 4.45Å; V362-I403 HydrophobicContact CG2-CD1 3.82Å; V362-I403 HydrophobicContact CG2-CG1 3.71Å; V362-I403 HydrophobicContact CG2-CG2 4.07Å; V362-L450 CarbonylContact C-O 3.51Å; V362-L450 VanDerWaalsContact CA-O 3.28Å; V362-L450 WeakPolarHBondContact CA-O 3.44Å; V362-L450 HydrophobicContact CG2-CB 4.28Å; V362-L450 HydrophobicContact CG2-CD1 4.37Å; V362-V452 HydrophobicContact CG1-CB 4.33Å; V362-V452 HydrophobicContact CG1-CG1 3.88Å; V362-V452 HydrophobicContact CG1-CG2 3.49Å; V362-V452 VanDerWaalsContact CG1-CG2 3.49Å
363T98.6Very high97.2Very high12 Ų1240.8 Ų40.87%0.07422%0.224CC..EExtended strand (participates in β ladder)trans-109.8121.1173.2-61.70000110.2T365 Q399 H449 L450 F451 V452T363-T365 PolarHBondContact O-N 3.38Å; T363-Q399 HydrophobicContact CG2-CG 4.08Å; T363-H449 PolarHBondContact OG1-CE1 3.24Å; T363-H449 PolarHBondContact OG1-NE2 3.36Å; T363-L450 PolarHBondContact N-O 2.73Å; T363-F451 HydrophobicContact CG2-CD1 4.35Å; T363-F451 HydrophobicContact CG2-CE1 4.49Å; T363-V452 PolarHBondContact O-N 3.12Å
364I98.4Very high97.1Very high0 Ų046.8 Ų46.80%025%0.25CS..EExtended strand (participates in β ladder)trans-77.2103.3171.2-58.7173.1000108.4N366 W367 L370 Q399 L401 L432 V452 A454I364-N366 VanDerWaalsContact C-N 3.34Å; I364-N366 PolarHBondContact O-N 3.42Å; I364-W367 HydrophobicContact CB-CE3 4.44Å; I364-W367 HydrophobicContact CD1-CE3 4.23Å; I364-W367 HydrophobicContact CD1-CZ3 4.34Å; I364-W367 HydrophobicContact CG2-CB 4.48Å; I364-W367 WeakPolarHBondContact O-CB 3.26Å; I364-W367 PolarHBondContact O-N 3.47Å; I364-L370 HydrophobicContact CG2-CD1 4.2Å; I364-Q399 PolarHBondContact N-O 2.92Å; I364-Q399 WeakPolarHBondContact O-CG 3.28Å; I364-Q399 PolarHBondContact O-NE2 3.42Å; I364-Q399 VanDerWaalsContact O-NE2 3.11Å; I364-L401 HydrophobicContact CD1-CD2 4Å; I364-L432 HydrophobicContact CD1-CD1 4.19Å; I364-V452 HydrophobicContact CG1-CG2 3.99Å; I364-A454 HydrophobicContact CD1-CB 4.4Å; I364-A454 HydrophobicContact CG2-CB 3.65Å
365T98Very high96.9Very high55 Ų5551.4 Ų51.434%0.33728%0.283SS..THydrogen-bonded Turntrans-68.8-30.6-171.754.90000113.5T363 F437 F451 V452T363-T365 PolarHBondContact O-N 3.38Å; T365-F437 HydrophobicContact CG2-CD1 4.3Å; T365-F451 HydrophobicContact CG2-CB 3.85Å; T365-F451 HydrophobicContact CG2-CD1 4.06Å; T365-F451 HydrophobicContact CG2-CG 4.43Å; T365-V452 PolarHBondContact N-O 2.92Å; T365-V452 PolarHBondContact OG1-O 3.27Å
366N97.5Very high96.9Very high20 Ų2053.2 Ų53.211%0.10730%0.295CS..THydrogen-bonded Turntrans-99.730.9178.568.6-38.9000113.1I364 C368 E369 L370 K453 A454I364-N366 VanDerWaalsContact C-N 3.34Å; I364-N366 PolarHBondContact O-N 3.42Å; N366-C368 PolarHBondContact O-N 2.94Å; N366-E369 HydrophobicContact CB-CB 4.45Å; N366-E369 HydrophobicContact CB-CG 4.37Å; N366-E369 WeakPolarHBondContact O-CB 3.14Å; N366-E369 PolarHBondContact O-N 2.98Å; N366-E369 VanDerWaalsContact O-N 3.15Å; N366-L370 PolarHBondContact O-N 3.05Å; N366-K453 WeakPolarHBondContact OD1-CA 3.42Å; N366-A454 PolarHBondContact ND2-O 2.95Å; N366-A454 PolarHBondContact OD1-N 3.26Å
367W97.6Very high96.8Very high6 Ų654.4 Ų54.42%0.02330%0.302CS..Hα-helixtrans-54.6-46.1-178.7177.5-93.5000113.6I364 E369 L370 Y371 K374 V377 L397 Q398 Q399I364-W367 HydrophobicContact CB-CE3 4.44Å; I364-W367 HydrophobicContact CD1-CE3 4.23Å; I364-W367 HydrophobicContact CD1-CZ3 4.34Å; I364-W367 HydrophobicContact CG2-CB 4.48Å; I364-W367 WeakPolarHBondContact O-CB 3.26Å; I364-W367 PolarHBondContact O-N 3.47Å; W367-E369 PolarHBondContact O-N 2.97Å; W367-L370 PolarHBondContact O-N 3.41Å; W367-Y371 AromaticContact CD2-CD2 3.83Å; W367-Y371 HydrophobicContact CD2-CD2 3.83Å; W367-Y371 AromaticContact CE2-CD2 3.81Å; W367-Y371 AromaticContact CE3-CD2 3.68Å; W367-Y371 HydrophobicContact CE3-CD2 3.68Å; W367-Y371 AromaticContact CE3-CE2 3.99Å; W367-Y371 HydrophobicContact CE3-CE2 3.99Å; W367-Y371 AromaticContact CH2-CD2 3.54Å; W367-Y371 HydrophobicContact CH2-CD2 3.54Å; W367-Y371 AromaticContact CH2-CE2 3.79Å; W367-Y371 HydrophobicContact CH2-CE2 3.79Å; W367-Y371 HydrophobicContact CH2-CG 4.43Å; W367-Y371 AromaticContact CZ2-CD2 3.69Å; W367-Y371 HydrophobicContact CZ2-CD2 3.69Å; W367-Y371 HydrophobicContact CZ2-CE2 4.4Å; W367-Y371 HydrophobicContact CZ2-CG 4.27Å; W367-Y371 AromaticContact CZ3-CD2 3.54Å; W367-Y371 HydrophobicContact CZ3-CD2 3.54Å; W367-Y371 AromaticContact CZ3-CE2 3.57Å; W367-Y371 HydrophobicContact CZ3-CE2 3.57Å; W367-Y371 PolarHBondContact O-N 3.47Å; W367-K374 PolarHBondContact NE1-O 3.24Å; W367-V377 HydrophobicContact CH2-CG2 4.23Å; W367-V377 HydrophobicContact CZ2-CG2 4.24Å; W367-L397 HydrophobicContact CH2-CD2 4.31Å; W367-L397 HydrophobicContact CH2-CG 3.96Å; W367-L397 WeakPolarHBondContact CH2-O 3.38Å; W367-L397 HydrophobicContact CZ3-CD2 4.14Å; W367-L397 HydrophobicContact CZ3-CG 3.91Å; W367-Q398 WeakPolarHBondContact CZ3-O 3.15Å; W367-Q399 HydrophobicContact CB-CB 4.08Å; W367-Q399 HydrophobicContact CB-CG 3.84Å; W367-Q399 HydrophobicContact CD2-CB 3.85Å; W367-Q399 HydrophobicContact CE3-CB 4.17Å; W367-Q399 HydrophobicContact CG-CB 3.8Å; W367-Q399 HydrophobicContact CG-CG 4.13Å
368C96.4Very high96.7Very high82 Ų8260.3 Ų60.355%0.55433%0.329SS*.Hα-helixtrans-63.1-29.1-178.9-62.80000112.9N366 L370 G372N366-C368 PolarHBondContact O-N 2.94Å; C368-L370 VanDerWaalsContact C-N 3.33Å; C368-G372 WeakPolarHBondContact CA-O 3.26Å; C368-G372 WeakPolarHBondContact O-CA 3.11Å; C368-G372 PolarHBondContact O-N 3.35Å
369E96.2Very high96.7Very high162 Ų16257 Ų5776%0.75732%0.315SS*.Hα-helixtrans-69.7-33.6175.4-61.7173.2-166.500111.4N366 W367N366-E369 HydrophobicContact CB-CB 4.45Å; N366-E369 HydrophobicContact CB-CG 4.37Å; N366-E369 WeakPolarHBondContact O-CB 3.14Å; N366-E369 PolarHBondContact O-N 2.98Å; N366-E369 VanDerWaalsContact O-N 3.15Å; W367-E369 PolarHBondContact O-N 2.97Å
370L95.9Very high96.6Very high42 Ų4259.5 Ų59.522%0.2233%0.329CS..Hα-helixtrans-82.4-41-178.7-64.5169.3000112.8I364 N366 W367 C368 L432 A454I364-L370 HydrophobicContact CG2-CD1 4.2Å; N366-L370 PolarHBondContact O-N 3.05Å; W367-L370 PolarHBondContact O-N 3.41Å; C368-L370 VanDerWaalsContact C-N 3.33Å; L370-L432 HydrophobicContact CD1-CD2 4.35Å; L370-A454 HydrophobicContact CD1-CB 3.64Å
371Y96Very high96.5Very high48 Ų4859.1 Ų59.119%0.18833%0.327CS..Hα-helixtrans-129.96.3-167.6-59.2-60.4000114.7W367 K374 V377 L397 L432W367-Y371 AromaticContact CD2-CD2 3.83Å; W367-Y371 HydrophobicContact CD2-CD2 3.83Å; W367-Y371 AromaticContact CE2-CD2 3.81Å; W367-Y371 AromaticContact CE3-CD2 3.68Å; W367-Y371 HydrophobicContact CE3-CD2 3.68Å; W367-Y371 AromaticContact CE3-CE2 3.99Å; W367-Y371 HydrophobicContact CE3-CE2 3.99Å; W367-Y371 AromaticContact CH2-CD2 3.54Å; W367-Y371 HydrophobicContact CH2-CD2 3.54Å; W367-Y371 AromaticContact CH2-CE2 3.79Å; W367-Y371 HydrophobicContact CH2-CE2 3.79Å; W367-Y371 HydrophobicContact CH2-CG 4.43Å; W367-Y371 AromaticContact CZ2-CD2 3.69Å; W367-Y371 HydrophobicContact CZ2-CD2 3.69Å; W367-Y371 HydrophobicContact CZ2-CE2 4.4Å; W367-Y371 HydrophobicContact CZ2-CG 4.27Å; W367-Y371 AromaticContact CZ3-CD2 3.54Å; W367-Y371 HydrophobicContact CZ3-CD2 3.54Å; W367-Y371 AromaticContact CZ3-CE2 3.57Å; W367-Y371 HydrophobicContact CZ3-CE2 3.57Å; W367-Y371 PolarHBondContact O-N 3.47Å; Y371-K374 WeakPolarHBondContact O-CB 3.32Å; Y371-K374 WeakPolarHBondContact O-CG 3.26Å; Y371-K374 PolarHBondContact O-N 3.38Å; Y371-V377 HydrophobicContact CD1-CG2 3.62Å; Y371-V377 HydrophobicContact CD2-CG2 4.15Å; Y371-V377 HydrophobicContact CE1-CG2 3.9Å; Y371-V377 HydrophobicContact CE2-CG2 4.39Å; Y371-V377 HydrophobicContact CG-CG2 3.74Å; Y371-L397 HydrophobicContact CE2-CD2 4.15Å; Y371-L432 HydrophobicContact CE2-CD1 4.21Å
372G94.8Very high96.3Very high34 Ų3457.8 Ų57.835%0.35133%0.325SS..THydrogen-bonded Turntrans63-140.4-177.700000112.2C368 K374C368-G372 WeakPolarHBondContact CA-O 3.26Å; C368-G372 WeakPolarHBondContact O-CA 3.11Å; C368-G372 PolarHBondContact O-N 3.35Å; G372-K374 PolarHBondContact O-N 3.25Å
373N93.6Very high96.2Very high169 Ų16959 Ų5990%0.90433%0.331SS*.THydrogen-bonded Turntrans-82.813-178.6-64.4-22.2000114
374K95.5Very high96Very high130 Ų13060.2 Ų60.257%0.56534%0.335SS*.  trans-69.6132.5177.6-69-177179-176.80109.8W367 Y371 G372 V377W367-K374 PolarHBondContact NE1-O 3.24Å; Y371-K374 WeakPolarHBondContact O-CB 3.32Å; Y371-K374 WeakPolarHBondContact O-CG 3.26Å; Y371-K374 PolarHBondContact O-N 3.38Å; G372-K374 PolarHBondContact O-N 3.25Å; K374-V377 HydrophobicContact CD-CG2 4.46Å
375S95.2Very high95.6Very high99 Ų9963.2 Ų63.269%0.69236%0.355SS*.SBendtrans-78.5-23173.256.30000113
376S96.6Very high95.1Very high37 Ų3765.1 Ų65.126%0.25938%0.376SS..EExtended strand (participates in β ladder)trans-155.4161.6178.558.60000111.6L397S376-L397 CarbonylContact C-O 3.5Å; S376-L397 WeakPolarHBondContact CA-O 3.49Å; S376-L397 WeakPolarHBondContact CB-O 3.33Å
377V96.7Very high94.8Very high25 Ų2568.5 Ų68.515%0.15239%0.393CS..EExtended strand (participates in β ladder)trans-126.8130.2172.71800000108.2W367 Y371 K374 L379 L397W367-V377 HydrophobicContact CH2-CG2 4.23Å; W367-V377 HydrophobicContact CZ2-CG2 4.24Å; Y371-V377 HydrophobicContact CD1-CG2 3.62Å; Y371-V377 HydrophobicContact CD2-CG2 4.15Å; Y371-V377 HydrophobicContact CE1-CG2 3.9Å; Y371-V377 HydrophobicContact CE2-CG2 4.39Å; Y371-V377 HydrophobicContact CG-CG2 3.74Å; K374-V377 HydrophobicContact CD-CG2 4.46Å; V377-L379 HydrophobicContact CG1-CD2 4.16Å; V377-L397 PolarHBondContact N-O 3.37Å; V377-L397 PolarHBondContact O-N 2.85Å
378E96.6Very high94.2Very high137 Ų13774.2 Ų74.264%0.6443%0.431SS*.EExtended strand (participates in β ladder)trans-82.4131.4175.4-165.4173-168.800110.2S394 L396E378-S394 WeakPolarHBondContact CG-OG 3.39Å; E378-S394 VanDerWaalsContact OE1-CB 3.32Å; E378-S394 WeakPolarHBondContact OE1-CB 3.3Å; E378-S394 PolarHBondContact OE1-OG 2.83Å; E378-L396 HydrophobicContact CB-CD2 4.2Å; E378-L396 HydrophobicContact CG-CD2 4.32Å
379L96.1Very high93.9Very high23 Ų2377.7 Ų77.712%0.1244%0.444CS..EExtended strand (participates in β ladder)trans-121.5140.1179.2-56.2175.8000109.6V377 S394 V395 L397 A430 W469V377-L379 HydrophobicContact CG1-CD2 4.16Å; L379-S394 WeakPolarHBondContact O-CA 3.45Å; L379-V395 HydrophobicContact CB-CG2 3.84Å; L379-V395 HydrophobicContact CD1-CG2 4.41Å; L379-V395 PolarHBondContact N-O 3.12Å; L379-V395 PolarHBondContact O-N 3.05Å; L379-L397 HydrophobicContact CD1-CB 3.84Å; L379-L397 HydrophobicContact CD1-CD2 4.39Å; L379-L397 HydrophobicContact CG-CB 4.28Å; L379-A430 HydrophobicContact CD1-CB 4.11Å; L379-W469 HydrophobicContact CD1-CH2 3.77Å; L379-W469 HydrophobicContact CD1-CZ2 3.62Å
380T95Very high93.6Very high105 Ų10570.9 Ų70.964%0.64441%0.414SS*.EExtended strand (participates in β ladder)trans-94.4126174.4-52.80000109.8T392T380-T392 HydrophobicContact CG2-CG2 3.77Å
381V95.1Very high93.6Very high1 Ų176.8 Ų76.81%0.00644%0.438CS..EExtended strand (participates in β ladder)trans-118.2133.5179.61800000109T392 H393 V395 Y429V381-T392 CarbonylContact O-C 3.35Å; V381-T392 WeakPolarHBondContact O-CA 3.4Å; V381-T392 VanDerWaalsContact O-CB 3.26Å; V381-T392 WeakPolarHBondContact O-CB 3.18Å; V381-H393 PolarHBondContact N-O 3.48Å; V381-H393 PolarHBondContact O-N 2.85Å; V381-V395 HydrophobicContact CG2-CG1 4.12Å; V381-V395 HydrophobicContact CG2-CG2 3.61Å; V381-Y429 HydrophobicContact CG1-CD1 4.28Å; V381-Y429 HydrophobicContact CG1-CD2 3.81Å; V381-Y429 HydrophobicContact CG1-CE1 4.22Å; V381-Y429 HydrophobicContact CG1-CE2 3.74Å; V381-Y429 HydrophobicContact CG1-CG 4.09Å; V381-Y429 HydrophobicContact CG2-CD2 3.98Å; V381-Y429 HydrophobicContact CG2-CG 3.9Å
382A94.7Very high93.6Very high27 Ų2778.4 Ų78.422%0.22345%0.453CS..EExtended strand (participates in β ladder)trans-77.9129.9175.500000111F384A382-F384 PolarHBondContact O-N 3.01Å
383D95.9Very high93.7Very high26 Ų2678.2 Ų78.214%0.13944%0.443CS..SBendtrans-60.6-35.5174-69.9-1.4000111.3P351 R352 K391 H393P351-D383 CarbonylContact C-O 3.52Å; P351-D383 WeakPolarHBondContact CA-O 3.18Å; P351-D383 HydrophobicContact CB-CB 3.77Å; R352-D383 WeakPolarHBondContact CD-O 3.47Å; R352-D383 PolarHBondContact N-O 3.39Å; D383-K391 HydrophobicContact CB-CB 4.35Å; D383-K391 WeakPolarHBondContact CB-O 3.33Å; D383-K391 PolarHBondContact N-O 3.2Å; D383-K391 VanDerWaalsContact OD2-CB 3.26Å; D383-K391 WeakPolarHBondContact OD2-CB 3.35Å; D383-H393 IonicContact OD1-CE1 2.71Å; D383-H393 IonicContact OD1-CG 3.1Å; D383-H393 IonicContact OD1-ND1 3.32Å; D383-H393 PolarHBondContact OD1-ND1 3.47Å
384F95.1Very high93.8Very high36 Ų3672.5 Ų72.516%0.15842%0.417CS..SBendtrans-130.683.8-179.9-55.3-87.5000109.8D348 H349 P351 A382 A386 I387 S390D348-F384 WeakPolarHBondContact O-CE1 3.31Å; H349-F384 VanDerWaalsContact C-CE1 3.48Å; H349-F384 WeakPolarHBondContact O-CZ 3.27Å; P351-F384 HydrophobicContact CB-CZ 4.43Å; A382-F384 PolarHBondContact O-N 3.01Å; F384-A386 PolarHBondContact O-N 3.46Å; F384-I387 HydrophobicContact CB-CB 4.26Å; F384-I387 HydrophobicContact CB-CD1 3.81Å; F384-I387 HydrophobicContact CB-CG1 4.1Å; F384-I387 HydrophobicContact CG-CD1 4.29Å; F384-I387 PolarHBondContact O-N 3.39Å; F384-S390 WeakPolarHBondContact CA-OG 3.08Å; F384-S390 WeakPolarHBondContact CB-OG 3.21Å; F384-S390 WeakPolarHBondContact CD2-OG 3.27Å; F384-S390 PolarHBondContact N-OG 2.85Å; F384-S390 WeakPolarHBondContact O-CB 3.34Å
385P89.3Confident93.8Very high64 Ų6466.8 Ų66.842%0.41639%0.392SS..THydrogen-bonded Turntrans-59.3-18.2-174.1-26.834.7000115.7R352 I387 Y429R352-P385 HydrophobicContact CG-CG 4.3Å; P385-I387 VanDerWaalsContact C-N 3.3Å; P385-Y429 WeakPolarHBondContact CG-OH 3.42Å
386A87.5Confident93.9Very high94 Ų9464.9 Ų64.978%0.77737%0.374SS*.THydrogen-bonded Turntrans-80-10.1175.700000113.5F384F384-A386 PolarHBondContact O-N 3.46Å
387I91.2Very high94Very high91 Ų9163.1 Ų63.147%0.46736%0.362SS..SBendtrans-110.5115.2-176.6-57.7176.9000108.3F384 P385 D389 S390F384-I387 HydrophobicContact CB-CB 4.26Å; F384-I387 HydrophobicContact CB-CD1 3.81Å; F384-I387 HydrophobicContact CB-CG1 4.1Å; F384-I387 HydrophobicContact CG-CD1 4.29Å; F384-I387 PolarHBondContact O-N 3.39Å; P385-I387 VanDerWaalsContact C-N 3.3Å; I387-D389 PolarHBondContact O-N 3.36Å; I387-D389 VanDerWaalsContact O-N 3.13Å; I387-S390 WeakPolarHBondContact O-CB 3.49Å; I387-S390 PolarHBondContact O-N 2.94Å; I387-S390 VanDerWaalsContact O-N 3.12Å
388P85.3Confident94Very high126 Ų12664.6 Ų64.682%0.81837%0.367SS*.THydrogen-bonded Turntrans-54.8-31.7-174.1-3036.2000116
389D89Confident94.1Very high156 Ų15661.7 Ų61.783%0.83435%0.354SS*.THydrogen-bonded Turntrans-118.235.8-179.5-57.7-56.2000111.7I387I387-D389 PolarHBondContact O-N 3.36Å; I387-D389 VanDerWaalsContact O-N 3.13Å
390S91.6Very high94.2Very high18 Ų1865.3 Ų65.313%0.12637%0.37CS..  trans-56.2152.1174.1175.30000111.5F384 I387F384-S390 WeakPolarHBondContact CA-OG 3.08Å; F384-S390 WeakPolarHBondContact CB-OG 3.21Å; F384-S390 WeakPolarHBondContact CD2-OG 3.27Å; F384-S390 PolarHBondContact N-OG 2.85Å; F384-S390 WeakPolarHBondContact O-CB 3.34Å; I387-S390 WeakPolarHBondContact O-CB 3.49Å; I387-S390 PolarHBondContact O-N 2.94Å; I387-S390 VanDerWaalsContact O-N 3.12Å
391K94.5Very high94.3Very high166 Ų16660.3 Ų60.372%0.72234%0.339SS*.  trans-51.9150.8158.6-66.8-176.3-177.7-179.60110.2D383D383-K391 HydrophobicContact CB-CB 4.35Å; D383-K391 WeakPolarHBondContact CB-O 3.33Å; D383-K391 PolarHBondContact N-O 3.2Å; D383-K391 VanDerWaalsContact OD2-CB 3.26Å; D383-K391 WeakPolarHBondContact OD2-CB 3.35Å
392T96.1Very high94.5Very high83 Ų8363 Ų6351%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-131.1151.7-179.961.20000110.1T380 V381T380-T392 HydrophobicContact CG2-CG2 3.77Å; V381-T392 CarbonylContact O-C 3.35Å; V381-T392 WeakPolarHBondContact O-CA 3.4Å; V381-T392 VanDerWaalsContact O-CB 3.26Å; V381-T392 WeakPolarHBondContact O-CB 3.18Å
393H96.3Very high94.7Very high30 Ų3061.8 Ų61.814%0.13934%0.339CS..EExtended strand (participates in β ladder)trans-121.7167.3166.361.1-81.8000110R352 V381 D383 E515R352-H393 PolarHBondContact O-CE1 2.83Å; V381-H393 PolarHBondContact N-O 3.48Å; V381-H393 PolarHBondContact O-N 2.85Å; D383-H393 IonicContact OD1-CE1 2.71Å; D383-H393 IonicContact OD1-CG 3.1Å; D383-H393 IonicContact OD1-ND1 3.32Å; D383-H393 PolarHBondContact OD1-ND1 3.47Å; H393-E515 IonicContact CD2-OE1 3.16Å; H393-E515 PolarHBondContact CD2-OE1 2.87Å; H393-E515 VanDerWaalsContact CD2-OE1 3.31Å; H393-E515 IonicContact CE1-OE1 3.89Å; H393-E515 IonicContact NE2-OE1 2.8Å; H393-E515 PolarHBondContact NE2-OE1 2.81Å; H393-E515 IonicContact NE2-OE2 3.46Å
394S95.8Very high94.8Very high49 Ų4961.3 Ų61.334%0.34334%0.336SS..EExtended strand (participates in β ladder)trans-101.8138.5179.51760000110.7E378 L379E378-S394 WeakPolarHBondContact CG-OG 3.39Å; E378-S394 VanDerWaalsContact OE1-CB 3.32Å; E378-S394 WeakPolarHBondContact OE1-CB 3.3Å; E378-S394 PolarHBondContact OE1-OG 2.83Å; L379-S394 WeakPolarHBondContact O-CA 3.45Å
395V96.6Very high94.8Very high9 Ų960.9 Ų60.96%0.05534%0.337CS..EExtended strand (participates in β ladder)trans-128.5145.5171.4-56.50000109.6M354 L379 V381 W469 E515M354-V395 HydrophobicContact CE-CB 4.26Å; M354-V395 HydrophobicContact CE-CG1 4.14Å; M354-V395 HydrophobicContact CE-CG2 3.89Å; L379-V395 HydrophobicContact CB-CG2 3.84Å; L379-V395 HydrophobicContact CD1-CG2 4.41Å; L379-V395 PolarHBondContact N-O 3.12Å; L379-V395 PolarHBondContact O-N 3.05Å; V381-V395 HydrophobicContact CG2-CG1 4.12Å; V381-V395 HydrophobicContact CG2-CG2 3.61Å; V395-W469 HydrophobicContact CG2-CH2 4.26Å; V395-E515 HydrophobicContact CG1-CB 4.4Å; V395-E515 WeakPolarHBondContact CG1-OE2 3.29Å
396L97Very high95Very high60 Ų6060.5 Ų60.531%0.31434%0.337SS..EExtended strand (participates in β ladder)trans-91.2136.7173.8-63.5178.8000109.4E378 W469 S471E378-L396 HydrophobicContact CB-CD2 4.2Å; E378-L396 HydrophobicContact CG-CD2 4.32Å; L396-W469 WeakPolarHBondContact O-CZ3 3.33Å; L396-S471 PolarHBondContact O-OG 2.88Å
397L97.9Very high95.5Very high0 Ų056 Ų560%030%0.3CS..EExtended strand (participates in β ladder)trans-102.6131.8162.9178.467.3000108.6W367 Y371 S376 V377 L379 L401 A430 L432 W469W367-L397 HydrophobicContact CH2-CD2 4.31Å; W367-L397 HydrophobicContact CH2-CG 3.96Å; W367-L397 WeakPolarHBondContact CH2-O 3.38Å; W367-L397 HydrophobicContact CZ3-CD2 4.14Å; W367-L397 HydrophobicContact CZ3-CG 3.91Å; Y371-L397 HydrophobicContact CE2-CD2 4.15Å; S376-L397 CarbonylContact C-O 3.5Å; S376-L397 WeakPolarHBondContact CA-O 3.49Å; S376-L397 WeakPolarHBondContact CB-O 3.33Å; V377-L397 PolarHBondContact N-O 3.37Å; V377-L397 PolarHBondContact O-N 2.85Å; L379-L397 HydrophobicContact CD1-CB 3.84Å; L379-L397 HydrophobicContact CD1-CD2 4.39Å; L379-L397 HydrophobicContact CG-CB 4.28Å; L397-L401 HydrophobicContact CD1-CD2 3.92Å; L397-A430 HydrophobicContact CD2-CB 4.15Å; L397-L432 HydrophobicContact CD2-CD1 3.91Å; L397-W469 HydrophobicContact CB-CH2 3.77Å; L397-W469 HydrophobicContact CB-CZ3 4.23Å; L397-W469 HydrophobicContact CD1-CD2 4.46Å; L397-W469 HydrophobicContact CD1-CE3 4.08Å; L397-W469 HydrophobicContact CD1-CH2 3.66Å; L397-W469 HydrophobicContact CD1-CZ2 4.04Å; L397-W469 HydrophobicContact CD1-CZ3 3.67Å; L397-W469 HydrophobicContact CG-CH2 4.29Å
398Q97.8Very high95.8Very high55 Ų5552.1 Ų52.126%0.25728%0.279SS..EExtended strand (participates in β ladder)trans-126.2170177.4-68.4-179.5-33.800110.6W367 E400 S471W367-Q398 WeakPolarHBondContact CZ3-O 3.15Å; Q398-E400 PolarHBondContact O-N 2.95Å; Q398-S471 PolarHBondContact N-OG 2.94Å
399Q98Very high96.2Very high77 Ų7748.5 Ų48.536%0.3625%0.251SS..SBendtrans-57.5-39.7174.417817231.600112.2T363 I364 W367T363-Q399 HydrophobicContact CG2-CG 4.08Å; I364-Q399 PolarHBondContact N-O 2.92Å; I364-Q399 WeakPolarHBondContact O-CG 3.28Å; I364-Q399 PolarHBondContact O-NE2 3.42Å; I364-Q399 VanDerWaalsContact O-NE2 3.11Å; W367-Q399 HydrophobicContact CB-CB 4.08Å; W367-Q399 HydrophobicContact CB-CG 3.84Å; W367-Q399 HydrophobicContact CD2-CB 3.85Å; W367-Q399 HydrophobicContact CE3-CB 4.17Å; W367-Q399 HydrophobicContact CG-CB 3.8Å; W367-Q399 HydrophobicContact CG-CG 4.13Å
400E98Very high96.4Very high99 Ų9945.3 Ų45.346%0.46323%0.231SC..EExtended strand (participates in β ladder)trans-99.9131.5174.5-62.3-170.5143.800109.7V362 Q398 S471V362-E400 WeakPolarHBondContact O-CA 3.44Å; Q398-E400 PolarHBondContact O-N 2.95Å; E400-S471 WeakPolarHBondContact O-CB 3.38Å
401L98.4Very high96.4Very high0 Ų050.4 Ų50.40%026%0.261CS..EExtended strand (participates in β ladder)trans-143.6172.817761.786.8000109.7V362 I364 L397 I403 L427 W469 V470V362-L401 HydrophobicContact CB-CD1 3.62Å; V362-L401 HydrophobicContact CB-CG 4.1Å; V362-L401 HydrophobicContact CG1-CD1 4.1Å; V362-L401 HydrophobicContact CG1-CG 4.48Å; V362-L401 HydrophobicContact CG2-CD1 4.02Å; V362-L401 PolarHBondContact N-O 3.3Å; V362-L401 PolarHBondContact O-N 2.99Å; I364-L401 HydrophobicContact CD1-CD2 4Å; L397-L401 HydrophobicContact CD1-CD2 3.92Å; L401-I403 HydrophobicContact CD1-CG2 3.73Å; L401-L427 HydrophobicContact CD2-CD1 3.76Å; L401-W469 HydrophobicContact CB-CE3 4.34Å; L401-W469 HydrophobicContact CD1-CB 4.02Å; L401-V470 CarbonylContact C-O 3.56Å; L401-V470 WeakPolarHBondContact CA-O 3.21Å
402Y98.7Very high96Very high58 Ų5844.9 Ų44.923%0.22725%0.247CC..EExtended strand (participates in β ladder)trans-122.8141.5-179-57.6-95.2000109.6P359 I360 I361 W469 V470 P473 L513P359-Y402 HydrophobicContact CB-CD1 3.91Å; I360-Y402 WeakPolarHBondContact O-CA 3.45Å; I361-Y402 HydrophobicContact CB-CE1 4.48Å; I361-Y402 HydrophobicContact CD1-CE1 4.37Å; I361-Y402 HydrophobicContact CG1-CD1 3.93Å; I361-Y402 HydrophobicContact CG1-CE1 3.47Å; I361-Y402 VanDerWaalsContact CG1-CE1 3.47Å; Y402-W469 CarbonylContact O-C 3.58Å; Y402-W469 WeakPolarHBondContact O-CA 3.25Å; Y402-W469 WeakPolarHBondContact O-CB 3.48Å; Y402-V470 WeakPolarHBondContact CD2-O 3.38Å; Y402-V470 PolarHBondContact N-O 3.44Å; Y402-V470 PolarHBondContact O-N 3Å; Y402-P473 HydrophobicContact CD2-CG 4.02Å; Y402-P473 HydrophobicContact CE2-CG 3.72Å; Y402-L513 HydrophobicContact CD1-CD1 3.38Å; Y402-L513 HydrophobicContact CD2-CD1 3.83Å; Y402-L513 HydrophobicContact CE1-CD1 3.75Å; Y402-L513 HydrophobicContact CE2-CD1 4.22Å; Y402-L513 HydrophobicContact CG-CD1 3.4Å
403I98.4Very high95.6Very high0 Ų047.7 Ų47.70%025%0.254CS..EExtended strand (participates in β ladder)trans-128.3163.7171.965.8173.5000109.6V356 I360 V362 L401 D407 L450 I467 W469V356-I403 VanDerWaalsContact CG1-C 3.49Å; V356-I403 WeakPolarHBondContact CG1-O 3.38Å; I360-I403 PolarHBondContact N-O 2.88Å; I360-I403 PolarHBondContact O-N 3.08Å; I360-I403 VanDerWaalsContact O-N 3.13Å; V362-I403 HydrophobicContact CG2-CB 4.45Å; V362-I403 HydrophobicContact CG2-CD1 3.82Å; V362-I403 HydrophobicContact CG2-CG1 3.71Å; V362-I403 HydrophobicContact CG2-CG2 4.07Å; L401-I403 HydrophobicContact CD1-CG2 3.73Å; I403-D407 HydrophobicContact CD1-CB 4.3Å; I403-L450 HydrophobicContact CD1-CD1 4.06Å; I403-I467 HydrophobicContact CB-CD1 4.24Å; I403-I467 HydrophobicContact CD1-CD1 4.2Å; I403-I467 HydrophobicContact CG2-CD1 3.85Å; I403-W469 HydrophobicContact CG2-CB 4.13Å
404E97.5Very high95.3Very high17 Ų1756.8 Ų56.88%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-61.3140.2171.3-75.2-72.7175.500111.5V356 L357 E358 S406 D407 H468 I532V356-E404 WeakPolarHBondContact CA-OE1 3.46Å; V356-E404 HydrophobicContact CG1-CG 4.36Å; L357-E404 PolarHBondContact N-OE1 2.88Å; E358-E404 PolarHBondContact N-OE2 3.28Å; E358-E404 VanDerWaalsContact N-OE2 3.16Å; E358-E404 CarbonylContact O-C 3.52Å; E404-S406 PolarHBondContact O-N 2.83Å; E404-S406 VanDerWaalsContact O-N 3.15Å; E404-D407 HydrophobicContact CB-CB 4.35Å; E404-D407 WeakPolarHBondContact O-CB 3.33Å; E404-D407 PolarHBondContact O-N 3.24Å; E404-H468 WeakPolarHBondContact CG-NE2 3.2Å; E404-I532 VanDerWaalsContact OE1-CD1 3.29Å; E404-I532 WeakPolarHBondContact OE1-CD1 3.45Å
405S95.6Very high95Very high26 Ų2657.5 Ų57.518%0.18231%0.309CS..G310 helixtrans-54.2-37.1175.769.60000111.9E358 D407 F408E358-S405 WeakPolarHBondContact CB-OG 3.4Å; E358-S405 WeakPolarHBondContact O-CB 3.5Å; E358-S405 PolarHBondContact O-N 2.87Å; E358-S405 PolarHBondContact OE2-OG 2.69Å; E358-S405 VanDerWaalsContact OE2-OG 3.05Å; S405-D407 PolarHBondContact O-N 2.87Å; S405-F408 PolarHBondContact O-N 2.75Å
406S94.8Very high94.8Very high57 Ų5758.2 Ų58.240%0.39931%0.311SS..G310 helixtrans-72.7-6.5177.876.10000115.1E404 Y416 R418E404-S406 PolarHBondContact O-N 2.83Å; E404-S406 VanDerWaalsContact O-N 3.15Å; S406-Y416 PolarHBondContact O-OH 3.48Å; S406-R418 PolarHBondContact O-NE 3.15Å; S406-R418 PolarHBondContact O-NH2 3.23Å; S406-R418 VanDerWaalsContact O-NH2 3.16Å
407D96.8Very high94.7Very high0 Ų063.3 Ų63.30%033%0.326CS..G310 helixtrans-90.7-2.8179.1-71.6-18.7000113.8I403 E404 S405 Y416 R418 L419 I467 R531I403-D407 HydrophobicContact CD1-CB 4.3Å; E404-D407 HydrophobicContact CB-CB 4.35Å; E404-D407 WeakPolarHBondContact O-CB 3.33Å; E404-D407 PolarHBondContact O-N 3.24Å; S405-D407 PolarHBondContact O-N 2.87Å; D407-Y416 WeakPolarHBondContact CA-OH 3.45Å; D407-Y416 PolarHBondContact O-OH 2.59Å; D407-R418 WeakPolarHBondContact O-CB 3.23Å; D407-R418 WeakPolarHBondContact OD1-CD 3.45Å; D407-R418 IonicContact OD1-CZ 3.33Å; D407-R418 IonicContact OD1-NE 2.86Å; D407-R418 PolarHBondContact OD1-NE 2.96Å; D407-R418 IonicContact OD1-NH1 3.76Å; D407-R418 PolarHBondContact OD1-NH1 2.91Å; D407-L419 WeakPolarHBondContact O-CB 3.38Å; D407-L419 PolarHBondContact O-N 2.99Å; D407-L419 VanDerWaalsContact O-N 3.13Å; D407-I467 HydrophobicContact CB-CD1 4.06Å; D407-I467 HydrophobicContact CB-CG2 4.17Å; D407-R531 IonicContact OD1-CZ 2.89Å; D407-R531 IonicContact OD1-NH1 2.97Å; D407-R531 PolarHBondContact OD1-NH1 2.95Å; D407-R531 IonicContact OD1-NH2 3.18Å; D407-R531 PolarHBondContact OD1-NH2 3.28Å; D407-R531 IonicContact OD2-CZ 3.84Å; D407-R531 IonicContact OD2-NH1 2.8Å; D407-R531 PolarHBondContact OD2-NH1 2.74Å; D407-R531 IonicContact OD2-NH2 2.71Å
408F97.4Very high94.6Very high9 Ų966.3 Ų66.34%0.03934%0.337CS..BIsolated β-bridgetrans-122.9135.9166.6-179.8-101.8000112.3S405 E410 Y416 L419 P421 F436 L439 I447 L450S405-F408 PolarHBondContact O-N 2.75Å; F408-E410 HydrophobicContact CE1-CG 3.76Å; F408-E410 HydrophobicContact CZ-CG 4.18Å; F408-Y416 WeakPolarHBondContact CA-OH 3.36Å; F408-Y416 PolarHBondContact N-OH 3.02Å; F408-Y416 VanDerWaalsContact N-OH 3.14Å; F408-L419 WeakPolarHBondContact CA-O 3.18Å; F408-L419 HydrophobicContact CD2-CB 4.12Å; F408-L419 HydrophobicContact CD2-CD2 3.9Å; F408-L419 HydrophobicContact CD2-CG 3.78Å; F408-L419 HydrophobicContact CE2-CG 4.35Å; F408-P421 HydrophobicContact CZ-CG 4.31Å; F408-F436 AromaticContact CE2-CD2 3.57Å; F408-F436 HydrophobicContact CE2-CD2 3.57Å; F408-F436 HydrophobicContact CE2-CE2 4.03Å; F408-F436 HydrophobicContact CE2-CG 4.3Å; F408-F436 AromaticContact CZ-CD2 3.79Å; F408-F436 HydrophobicContact CZ-CD2 3.79Å; F408-F436 AromaticContact CZ-CE2 3.74Å; F408-F436 HydrophobicContact CZ-CE2 3.74Å; F408-L439 HydrophobicContact CE1-CD2 3.88Å; F408-L439 HydrophobicContact CZ-CD2 3.93Å; F408-I447 HydrophobicContact CD1-CD1 3.74Å; F408-I447 HydrophobicContact CD1-CG2 4.42Å; F408-I447 HydrophobicContact CE1-CD1 3.69Å; F408-L450 HydrophobicContact CB-CD1 3.66Å; F408-L450 HydrophobicContact CD1-CD1 4.15Å; F408-L450 HydrophobicContact CD1-CD2 3.82Å; F408-L450 HydrophobicContact CD2-CD1 3.83Å; F408-L450 HydrophobicContact CD2-CD2 4.19Å; F408-L450 HydrophobicContact CE1-CD2 3.76Å; F408-L450 HydrophobicContact CE2-CD2 4.14Å; F408-L450 HydrophobicContact CG-CD1 3.6Å; F408-L450 HydrophobicContact CG-CD2 4.02Å; F408-L450 HydrophobicContact CG-CG 4.46Å; F408-L450 HydrophobicContact CZ-CD2 3.92Å
409Q94.5Very high94.6Very high50 Ų5063.7 Ų63.723%0.23433%0.325CS..  trans-136.8128.3170.1-72.5-174.1-18.600109.8V411 Y416 L419 T420 P421Q409-V411 VanDerWaalsContact C-N 3.31Å; Q409-Y416 HydrophobicContact CB-CE1 4.08Å; Q409-Y416 HydrophobicContact CB-CE2 4.39Å; Q409-Y416 VanDerWaalsContact CD-CE2 3.44Å; Q409-Y416 HydrophobicContact CG-CD2 4.33Å; Q409-Y416 HydrophobicContact CG-CE1 4.29Å; Q409-Y416 HydrophobicContact CG-CE2 3.72Å; Q409-Y416 PolarHBondContact N-OH 3.31Å; Q409-Y416 VanDerWaalsContact OE1-CD2 3.22Å; Q409-L419 PolarHBondContact N-O 3.31Å; Q409-L419 VanDerWaalsContact N-O 3.16Å; Q409-T420 WeakPolarHBondContact O-CA 3.3Å; Q409-T420 WeakPolarHBondContact O-CB 3.27Å; Q409-P421 WeakPolarHBondContact O-CD 3.47Å
410E93.3Very high94.5Very high88 Ų8860.5 Ų60.541%0.41131%0.311SS..SBendtrans-62.8-41.2173.2-69.5178.4-93.900110.9F408 P421 L439 K441 I447F408-E410 HydrophobicContact CE1-CG 3.76Å; F408-E410 HydrophobicContact CZ-CG 4.18Å; E410-P421 WeakPolarHBondContact O-CD 3.39Å; E410-L439 HydrophobicContact CG-CD2 3.99Å; E410-K441 VanDerWaalsContact CD-NZ 3.25Å; E410-K441 VanDerWaalsContact OE1-CE 3.27Å; E410-K441 WeakPolarHBondContact OE1-CE 3.34Å; E410-K441 IonicContact OE1-NZ 3.43Å; E410-K441 PolarHBondContact OE1-NZ 2.91Å; E410-K441 IonicContact OE2-NZ 2.73Å; E410-K441 PolarHBondContact OE2-NZ 2.96Å; E410-I447 HydrophobicContact CG-CD1 4.08Å
411V90.7Very high94.4Very high125 Ų12557.9 Ų57.976%0.75830%0.302SS*.SBendtrans-119.2111.3176.8-175.40000108.5Q409Q409-V411 VanDerWaalsContact C-N 3.31Å
412A85.6Confident94.2Very high51 Ų5165.4 Ų65.442%0.42134%0.342SS..PPolyproline II helixtrans-74.1128.9-177.200000111.2Y416 T420A412-Y416 HydrophobicContact CB-CD1 4.21Å; A412-T420 HydrophobicContact CB-CG2 3.77Å
413E88.9Confident94.1Very high142 Ų14263.7 Ų63.766%0.66434%0.336SS*.PPolyproline II helixtrans-72.5160166.1-65.2177.1-177.500111.3G415 Y416E413-G415 PolarHBondContact O-N 2.85Å; E413-G415 VanDerWaalsContact O-N 3.1Å; E413-Y416 VanDerWaalsContact O-CB 3.29Å; E413-Y416 WeakPolarHBondContact O-CB 3.19Å; E413-Y416 PolarHBondContact O-N 2.94Å
414K89.3Confident94Very high221 Ų22165.3 Ų65.396%0.96135%0.347SS*.THydrogen-bonded Turntrans-57.4120.3177.5-175.6180179-179.80110.2
415G89.6Confident94.1Very high64 Ų6464.5 Ų64.566%0.6634%0.343SS*.THydrogen-bonded Turntrans93.7-2.2178.300000114.9E413 R417E413-G415 PolarHBondContact O-N 2.85Å; E413-G415 VanDerWaalsContact O-N 3.1Å; G415-R417 WeakPolarHBondContact O-CG 3.38Å; G415-R417 PolarHBondContact O-N 2.82Å
416Y92.4Very high94.2Very high24 Ų2463.3 Ų63.39%0.09433%0.334CS..  trans-67.2125.5172.6-171.7-95.5000111.3S406 D407 F408 Q409 A412 E413 R418 L419 T420 Q423S406-Y416 PolarHBondContact O-OH 3.48Å; D407-Y416 WeakPolarHBondContact CA-OH 3.45Å; D407-Y416 PolarHBondContact O-OH 2.59Å; F408-Y416 WeakPolarHBondContact CA-OH 3.36Å; F408-Y416 PolarHBondContact N-OH 3.02Å; F408-Y416 VanDerWaalsContact N-OH 3.14Å; Q409-Y416 HydrophobicContact CB-CE1 4.08Å; Q409-Y416 HydrophobicContact CB-CE2 4.39Å; Q409-Y416 VanDerWaalsContact CD-CE2 3.44Å; Q409-Y416 HydrophobicContact CG-CD2 4.33Å; Q409-Y416 HydrophobicContact CG-CE1 4.29Å; Q409-Y416 HydrophobicContact CG-CE2 3.72Å; Q409-Y416 PolarHBondContact N-OH 3.31Å; Q409-Y416 VanDerWaalsContact OE1-CD2 3.22Å; A412-Y416 HydrophobicContact CB-CD1 4.21Å; E413-Y416 VanDerWaalsContact O-CB 3.29Å; E413-Y416 WeakPolarHBondContact O-CB 3.19Å; E413-Y416 PolarHBondContact O-N 2.94Å; Y416-R418 HydrophobicContact CE1-CB 3.74Å; Y416-R418 HydrophobicContact CE2-CB 4.31Å; Y416-L419 WeakPolarHBondContact CE1-O 3.36Å; Y416-T420 HydrophobicContact CD1-CG2 3.62Å; Y416-T420 HydrophobicContact CE1-CG2 3.54Å; Y416-Q423 PolarHBondContact O-NE2 2.9Å; Y416-Q423 VanDerWaalsContact O-NE2 3.14Å
417R94.4Very high94.3Very high167 Ų16760.6 Ų60.663%0.6332%0.315SS*.  trans-115.74-171.7-64.6-176.9-174.2-173.30.4114.8G415 Q423 K464 A465G415-R417 WeakPolarHBondContact O-CG 3.38Å; G415-R417 PolarHBondContact O-N 2.82Å; R417-Q423 VanDerWaalsContact CA-NE2 3.33Å; R417-K464 HydrophobicContact CB-CB 4.08Å; R417-K464 HydrophobicContact CG-CB 4.43Å; R417-A465 HydrophobicContact CB-CB 4Å; R417-A465 VanDerWaalsContact O-CB 3.31Å; R417-A465 WeakPolarHBondContact O-CB 3.43Å
418R95.9Very high94.3Very high63 Ų6364.1 Ų64.124%0.23833%0.329CS..SBendtrans-99.4-160.9-174.2-55.2176.8-82.6-156.9-7.6110.9S406 D407 Y416 Q423 V425 I467 R531S406-R418 PolarHBondContact O-NE 3.15Å; S406-R418 PolarHBondContact O-NH2 3.23Å; S406-R418 VanDerWaalsContact O-NH2 3.16Å; D407-R418 WeakPolarHBondContact O-CB 3.23Å; D407-R418 WeakPolarHBondContact OD1-CD 3.45Å; D407-R418 IonicContact OD1-CZ 3.33Å; D407-R418 IonicContact OD1-NE 2.86Å; D407-R418 PolarHBondContact OD1-NE 2.96Å; D407-R418 IonicContact OD1-NH1 3.76Å; D407-R418 PolarHBondContact OD1-NH1 2.91Å; Y416-R418 HydrophobicContact CE1-CB 3.74Å; Y416-R418 HydrophobicContact CE2-CB 4.31Å; R418-Q423 PolarHBondContact O-NE2 3.47Å; R418-V425 HydrophobicContact CB-CG2 4.42Å; R418-I467 HydrophobicContact CB-CG2 4.3Å; R418-I467 HydrophobicContact CG-CG2 3.97Å; R418-R531 VanDerWaalsContact NH1-NH2 3.17Å
419L97.8Very high94.1Very high0 Ų067.2 Ų67.20%034%0.341CS..BIsolated β-bridgetrans-70131.8-172.5-17063.6000111.5D407 F408 Q409 Y416 V425 I434 L450 V452D407-L419 WeakPolarHBondContact O-CB 3.38Å; D407-L419 PolarHBondContact O-N 2.99Å; D407-L419 VanDerWaalsContact O-N 3.13Å; F408-L419 WeakPolarHBondContact CA-O 3.18Å; F408-L419 HydrophobicContact CD2-CB 4.12Å; F408-L419 HydrophobicContact CD2-CD2 3.9Å; F408-L419 HydrophobicContact CD2-CG 3.78Å; F408-L419 HydrophobicContact CE2-CG 4.35Å; Q409-L419 PolarHBondContact N-O 3.31Å; Q409-L419 VanDerWaalsContact N-O 3.16Å; Y416-L419 WeakPolarHBondContact CE1-O 3.36Å; L419-V425 HydrophobicContact CB-CB 4.3Å; L419-V425 HydrophobicContact CB-CG1 3.79Å; L419-V425 HydrophobicContact CD1-CG1 4.2Å; L419-V425 HydrophobicContact CG-CG1 4.45Å; L419-I434 HydrophobicContact CD1-CG1 4.38Å; L419-I434 HydrophobicContact CD2-CD1 4.05Å; L419-L450 HydrophobicContact CD2-CD1 4.1Å; L419-V452 HydrophobicContact CD2-CG1 4.17Å
420T96.7Very high94.2Very high10 Ų1065.2 Ų65.26%0.06133%0.333CS..BIsolated β-bridgetrans-142.8169.3169.876.50000108.1Q409 A412 Y416 N422 Q423Q409-T420 WeakPolarHBondContact O-CA 3.3Å; Q409-T420 WeakPolarHBondContact O-CB 3.27Å; A412-T420 HydrophobicContact CB-CG2 3.77Å; Y416-T420 HydrophobicContact CD1-CG2 3.62Å; Y416-T420 HydrophobicContact CE1-CG2 3.54Å; T420-N422 PolarHBondContact O-N 3.44Å; T420-N422 PolarHBondContact OG1-N 3.14Å; T420-Q423 HydrophobicContact CG2-CB 4.3Å; T420-Q423 PolarHBondContact N-O 3.17Å; T420-Q423 PolarHBondContact O-N 3.45Å; T420-Q423 VanDerWaalsContact O-N 3.15Å; T420-Q423 VanDerWaalsContact O-O 3.13Å; T420-Q423 WeakPolarHBondContact OG1-CB 3.21Å; T420-Q423 PolarHBondContact OG1-N 3.04Å; T420-Q423 VanDerWaalsContact OG1-N 3.1Å
421P96.4Very high94.3Very high43 Ų4362.9 Ų62.928%0.27933%0.332SS..THydrogen-bonded Turntrans-52-29.7175.8-30.237.5000115.1F408 Q409 E410 F436F408-P421 HydrophobicContact CZ-CG 4.31Å; Q409-P421 WeakPolarHBondContact O-CD 3.47Å; E410-P421 WeakPolarHBondContact O-CD 3.39Å; P421-F436 HydrophobicContact CB-CD1 3.82Å; P421-F436 HydrophobicContact CB-CE1 4.14Å; P421-F436 HydrophobicContact CB-CG 4.34Å; P421-F436 HydrophobicContact CG-CD1 4.3Å; P421-F436 HydrophobicContact CG-CE1 4.37Å
422N94Very high94.6Very high159 Ų15956.9 Ų56.985%0.8530%0.296SS*.THydrogen-bonded Turntrans-116.911.8-176.7-58.6-47.6000113.3T420T420-N422 PolarHBondContact O-N 3.44Å; T420-N422 PolarHBondContact OG1-N 3.14Å
423Q96Very high95.2Very high22 Ų2254.5 Ų54.510%0.10328%0.276CS..BIsolated β-bridgetrans-140.2116.6-176.9-174.9171.2-91.900110.7Y416 R417 R418 T420 K464Y416-Q423 PolarHBondContact O-NE2 2.9Å; Y416-Q423 VanDerWaalsContact O-NE2 3.14Å; R417-Q423 VanDerWaalsContact CA-NE2 3.33Å; R418-Q423 PolarHBondContact O-NE2 3.47Å; T420-Q423 HydrophobicContact CG2-CB 4.3Å; T420-Q423 PolarHBondContact N-O 3.17Å; T420-Q423 PolarHBondContact O-N 3.45Å; T420-Q423 VanDerWaalsContact O-N 3.15Å; T420-Q423 VanDerWaalsContact O-O 3.13Å; T420-Q423 WeakPolarHBondContact OG1-CB 3.21Å; T420-Q423 PolarHBondContact OG1-N 3.04Å; T420-Q423 VanDerWaalsContact OG1-N 3.1Å; Q423-K464 VanDerWaalsContact OE1-CD 3.29Å
424P97.4Very high95.7Very high34 Ų3447.8 Ų47.822%0.22125%0.245CC..  trans-78163.4177.635-37.7000111.8V433 I434 E435P424-V433 HydrophobicContact CB-CG1 3.73Å; P424-V433 HydrophobicContact CG-CG1 4.36Å; P424-I434 WeakPolarHBondContact CA-O 3.35Å; P424-I434 VanDerWaalsContact CB-O 3.29Å; P424-I434 WeakPolarHBondContact CB-O 3.48Å; P424-E435 HydrophobicContact CB-CB 4.42Å; P424-E435 HydrophobicContact CB-CG 3.87Å
425V98Very high96.1Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-137.8146177.576.40000110.8R418 L419 V433 I434 A465 I467R418-V425 HydrophobicContact CB-CG2 4.42Å; L419-V425 HydrophobicContact CB-CB 4.3Å; L419-V425 HydrophobicContact CB-CG1 3.79Å; L419-V425 HydrophobicContact CD1-CG1 4.2Å; L419-V425 HydrophobicContact CG-CG1 4.45Å; V425-V433 WeakPolarHBondContact O-CA 3.2Å; V425-I434 HydrophobicContact CG1-CD1 3.95Å; V425-I434 HydrophobicContact CG1-CG1 3.61Å; V425-I434 PolarHBondContact N-O 2.95Å; V425-I434 WeakPolarHBondContact O-CG1 3.14Å; V425-I434 PolarHBondContact O-N 3.22Å; V425-A465 HydrophobicContact CG2-CB 4.41Å; V425-A465 VanDerWaalsContact CG2-O 3.3Å; V425-A465 WeakPolarHBondContact CG2-O 3.32Å; V425-I467 HydrophobicContact CG1-CD1 3.7Å; V425-I467 HydrophobicContact CG1-CG1 3.96Å; V425-I467 HydrophobicContact CG2-CB 4.46Å; V425-I467 HydrophobicContact CG2-CD1 4.48Å; V425-I467 HydrophobicContact CG2-CG1 4.11Å; V425-I467 HydrophobicContact CG2-CG2 3.75Å
426G98.1Very high96.5Very high0 Ų040.4 Ų40.40%020%0.196CC..EExtended strand (participates in β ladder)trans-79.6146.8173.500000111.9L432 A465 F466 I467G426-L432 WeakPolarHBondContact CA-O 3.48Å; G426-A465 PolarHBondContact N-O 2.82Å; G426-F466 VanDerWaalsContact CA-CD1 3.49Å; G426-F466 CarbonylContact O-C 3.55Å; G426-F466 WeakPolarHBondContact O-CA 3.44Å; G426-I467 PolarHBondContact O-N 2.93Å
427L97.8Very high96.7Very high0 Ų044.7 Ų44.70%022%0.215CC..EExtended strand (participates in β ladder)trans-95.5122.1168.5-66.8-174.6000109.1L401 Y429 A430 L432 I434 I467 W469L401-L427 HydrophobicContact CD2-CD1 3.76Å; L427-Y429 PolarHBondContact O-N 2.95Å; L427-A430 HydrophobicContact CB-CB 3.78Å; L427-A430 PolarHBondContact O-N 3.22Å; L427-L432 PolarHBondContact N-O 2.91Å; L427-I434 HydrophobicContact CD1-CG2 3.77Å; L427-I434 HydrophobicContact CD2-CD1 3.89Å; L427-I434 HydrophobicContact CD2-CG1 4.37Å; L427-I434 HydrophobicContact CG-CD1 4.36Å; L427-I434 HydrophobicContact CG-CG1 4.43Å; L427-I434 HydrophobicContact CG-CG2 4.01Å; L427-I467 HydrophobicContact CD2-CD1 4.15Å; L427-I467 HydrophobicContact CD2-CG1 3.89Å; L427-W469 HydrophobicContact CD2-CB 4.34Å; L427-W469 HydrophobicContact CD2-CG 4.23Å
428R95.8Very high96.9Very high75 Ų7540.9 Ų40.928%0.28321%0.208SC..THydrogen-bonded Turntrans-55.9137.4179.4-78.7-173.2169.4-135.27.1110.6A430 F466 I467 W469 E530R428-A430 PolarHBondContact O-N 3.2Å; R428-F466 HydrophobicContact CG-CB 3.79Å; R428-I467 WeakPolarHBondContact CB-O 3.43Å; R428-I467 WeakPolarHBondContact CG-O 3.45Å; R428-I467 PolarHBondContact N-O 2.56Å; R428-W469 PolarHBondContact O-NE1 3.12Å; R428-E530 IonicContact CZ-OE2 3.7Å; R428-E530 IonicContact NH1-OE1 3.63Å; R428-E530 PolarHBondContact NH1-OE1 2.91Å; R428-E530 IonicContact NH1-OE2 3.75Å; R428-E530 PolarHBondContact NH1-OE2 2.84Å
429Y94.8Very high96.9Very high73 Ų7339.5 Ų39.529%0.28621%0.205SC..THydrogen-bonded Turntrans62.4-16.1178.1-45.5-65.2000116.9M354 V381 P385 L427 E530M354-Y429 HydrophobicContact SD-CD2 4.17Å; V381-Y429 HydrophobicContact CG1-CD1 4.28Å; V381-Y429 HydrophobicContact CG1-CD2 3.81Å; V381-Y429 HydrophobicContact CG1-CE1 4.22Å; V381-Y429 HydrophobicContact CG1-CE2 3.74Å; V381-Y429 HydrophobicContact CG1-CG 4.09Å; V381-Y429 HydrophobicContact CG2-CD2 3.98Å; V381-Y429 HydrophobicContact CG2-CG 3.9Å; P385-Y429 WeakPolarHBondContact CG-OH 3.42Å; L427-Y429 PolarHBondContact O-N 2.95Å; Y429-E530 PolarHBondContact OH-OE1 2.89Å
430A95.8Very high96.8Very high8 Ų845 Ų457%0.06623%0.228CC..THydrogen-bonded Turntrans-78.5-17.2-178.500000114.4L379 L397 L427 R428 L432 W469L379-A430 HydrophobicContact CD1-CB 4.11Å; L397-A430 HydrophobicContact CD2-CB 4.15Å; L427-A430 HydrophobicContact CB-CB 3.78Å; L427-A430 PolarHBondContact O-N 3.22Å; R428-A430 PolarHBondContact O-N 3.2Å; A430-L432 HydrophobicContact CB-CB 4.41Å; A430-L432 HydrophobicContact CB-CG 4.43Å; A430-L432 PolarHBondContact O-N 3.35Å; A430-W469 HydrophobicContact CB-CZ2 3.92Å
431G95.4Very high96.7Very high39 Ų3949 Ų4940%0.40225%0.245SC..THydrogen-bonded Turntrans6619.1-173.700000113.7K456 V457G431-K456 WeakPolarHBondContact O-CA 3.41Å; G431-V457 VanDerWaalsContact C-CG2 3.48Å; G431-V457 WeakPolarHBondContact O-CG2 3.22Å; G431-V457 PolarHBondContact O-N 2.85Å
432L97.7Very high96.5Very high0 Ų049.8 Ų49.80%025%0.247CC..EExtended strand (participates in β ladder)trans-115.6148.1-178.9-63.3-178.9000112.5I364 L370 Y371 L397 G426 L427 A430 A454 Q455 K456I364-L432 HydrophobicContact CD1-CD1 4.19Å; L370-L432 HydrophobicContact CD1-CD2 4.35Å; Y371-L432 HydrophobicContact CE2-CD1 4.21Å; L397-L432 HydrophobicContact CD2-CD1 3.91Å; G426-L432 WeakPolarHBondContact CA-O 3.48Å; L427-L432 PolarHBondContact N-O 2.91Å; A430-L432 HydrophobicContact CB-CB 4.41Å; A430-L432 HydrophobicContact CB-CG 4.43Å; A430-L432 PolarHBondContact O-N 3.35Å; L432-A454 HydrophobicContact CD1-CB 4.2Å; L432-Q455 CarbonylContact C-O 3.59Å; L432-Q455 WeakPolarHBondContact CA-O 3.31Å; L432-K456 HydrophobicContact CD2-CG 4.44Å
433V98.3Very high96.5Very high1 Ų148 Ų481%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-112.4127.6164.2178.80000107.8P424 V425 A454 Q455 V457 S460 P463P424-V433 HydrophobicContact CB-CG1 3.73Å; P424-V433 HydrophobicContact CG-CG1 4.36Å; V425-V433 WeakPolarHBondContact O-CA 3.2Å; V433-A454 CarbonylContact O-C 3.55Å; V433-A454 VanDerWaalsContact O-CA 3.29Å; V433-A454 WeakPolarHBondContact O-CA 3.3Å; V433-Q455 PolarHBondContact N-O 2.86Å; V433-Q455 PolarHBondContact O-N 2.82Å; V433-V457 HydrophobicContact CG2-CG2 3.8Å; V433-S460 WeakPolarHBondContact CG2-OG 3.29Å; V433-P463 HydrophobicContact CG1-CB 4.27Å; V433-P463 HydrophobicContact CG2-CB 4.34Å; V433-P463 HydrophobicContact CG2-CG 3.83Å
434I98.3Very high96.2Very high0 Ų053.8 Ų53.80%028%0.278CS..EExtended strand (participates in β ladder)trans-105.3140178.962.7170.7000111.1L419 P424 V425 L427 V452 K453 A454L419-I434 HydrophobicContact CD1-CG1 4.38Å; L419-I434 HydrophobicContact CD2-CD1 4.05Å; P424-I434 WeakPolarHBondContact CA-O 3.35Å; P424-I434 VanDerWaalsContact CB-O 3.29Å; P424-I434 WeakPolarHBondContact CB-O 3.48Å; V425-I434 HydrophobicContact CG1-CD1 3.95Å; V425-I434 HydrophobicContact CG1-CG1 3.61Å; V425-I434 PolarHBondContact N-O 2.95Å; V425-I434 WeakPolarHBondContact O-CG1 3.14Å; V425-I434 PolarHBondContact O-N 3.22Å; L427-I434 HydrophobicContact CD1-CG2 3.77Å; L427-I434 HydrophobicContact CD2-CD1 3.89Å; L427-I434 HydrophobicContact CD2-CG1 4.37Å; L427-I434 HydrophobicContact CG-CD1 4.36Å; L427-I434 HydrophobicContact CG-CG1 4.43Å; L427-I434 HydrophobicContact CG-CG2 4.01Å; I434-V452 HydrophobicContact CB-CB 4.18Å; I434-V452 HydrophobicContact CB-CG2 4.05Å; I434-V452 HydrophobicContact CD1-CG1 4.42Å; I434-V452 HydrophobicContact CG2-CG2 4.1Å; I434-K453 CarbonylContact C-O 3.49Å; I434-K453 WeakPolarHBondContact CA-O 3.23Å; I434-A454 HydrophobicContact CG2-CB 3.98Å
435E97.6Very high95.9Very high80 Ų8054.3 Ų54.337%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-121.6138.6177.6-39.5-157.2139.800109.5P424 F437 V452 K453P424-E435 HydrophobicContact CB-CB 4.42Å; P424-E435 HydrophobicContact CB-CG 3.87Å; E435-F437 PolarHBondContact O-N 2.94Å; E435-V452 CarbonylContact O-C 3.6Å; E435-V452 WeakPolarHBondContact O-CA 3.15Å; E435-V452 WeakPolarHBondContact O-CB 3.44Å; E435-K453 PolarHBondContact N-O 3.44Å; E435-K453 PolarHBondContact O-N 3.09Å
436F97.9Very high95.5Very high51 Ų5159.9 Ų59.922%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-60.7134.9178175.3-96.5000111.2F408 P421 D438 L439 L450F408-F436 AromaticContact CE2-CD2 3.57Å; F408-F436 HydrophobicContact CE2-CD2 3.57Å; F408-F436 HydrophobicContact CE2-CE2 4.03Å; F408-F436 HydrophobicContact CE2-CG 4.3Å; F408-F436 AromaticContact CZ-CD2 3.79Å; F408-F436 HydrophobicContact CZ-CD2 3.79Å; F408-F436 AromaticContact CZ-CE2 3.74Å; F408-F436 HydrophobicContact CZ-CE2 3.74Å; P421-F436 HydrophobicContact CB-CD1 3.82Å; P421-F436 HydrophobicContact CB-CE1 4.14Å; P421-F436 HydrophobicContact CB-CG 4.34Å; P421-F436 HydrophobicContact CG-CD1 4.3Å; P421-F436 HydrophobicContact CG-CE1 4.37Å; F436-D438 VanDerWaalsContact CE2-C 3.43Å; F436-D438 VanDerWaalsContact CE2-O 3.31Å; F436-D438 WeakPolarHBondContact CE2-O 3.28Å; F436-L439 HydrophobicContact CE2-CB 3.93Å; F436-L439 HydrophobicContact CE2-CD2 3.85Å; F436-L439 HydrophobicContact CE2-CG 4.15Å; F436-L439 HydrophobicContact CZ-CB 4.29Å; F436-L439 HydrophobicContact CZ-CD2 3.92Å; F436-L439 HydrophobicContact CZ-CG 4.11Å; F436-L450 HydrophobicContact CE2-CD2 4.29Å
437F96.9Very high95.3Very high114 Ų11461.2 Ų61.250%0.532%0.321SS..EExtended strand (participates in β ladder)trans-118.2-50.6173.5179.1-105.6000111.4T365 E435 F451 K453T365-F437 HydrophobicContact CG2-CD1 4.3Å; E435-F437 PolarHBondContact O-N 2.94Å; F437-F451 WeakPolarHBondContact CA-O 3.42Å; F437-F451 VanDerWaalsContact CB-O 3.32Å; F437-F451 WeakPolarHBondContact CB-O 3.32Å; F437-F451 HydrophobicContact CD1-CB 4.12Å; F437-F451 PolarHBondContact N-O 3.2Å; F437-K453 HydrophobicContact CD2-CD 4.41Å
438D97.4Very high95.1Very high87 Ų8763.4 Ų63.447%0.46534%0.336SS..EExtended strand (participates in β ladder)trans-157169.2179.7-163.511.4000111F436 F451F436-D438 VanDerWaalsContact CE2-C 3.43Å; F436-D438 VanDerWaalsContact CE2-O 3.31Å; F436-D438 WeakPolarHBondContact CE2-O 3.28Å; D438-F451 HydrophobicContact CB-CB 4.07Å; D438-F451 HydrophobicContact CB-CD2 4.14Å; D438-F451 HydrophobicContact CB-CG 4.49Å; D438-F451 PolarHBondContact N-O 2.97Å; D438-F451 PolarHBondContact O-N 2.92Å
439L96.8Very high95.2Very high34 Ų3461.2 Ų61.218%0.17833%0.329CS..EExtended strand (participates in β ladder)trans-139.9156.417260.386.9000112.7F408 E410 F436 K441 H449 L450F408-L439 HydrophobicContact CE1-CD2 3.88Å; F408-L439 HydrophobicContact CZ-CD2 3.93Å; E410-L439 HydrophobicContact CG-CD2 3.99Å; F436-L439 HydrophobicContact CE2-CB 3.93Å; F436-L439 HydrophobicContact CE2-CD2 3.85Å; F436-L439 HydrophobicContact CE2-CG 4.15Å; F436-L439 HydrophobicContact CZ-CB 4.29Å; F436-L439 HydrophobicContact CZ-CD2 3.92Å; F436-L439 HydrophobicContact CZ-CG 4.11Å; L439-K441 HydrophobicContact CD1-CD 4.25Å; L439-K441 HydrophobicContact CD1-CG 3.78Å; L439-H449 CarbonylContact C-O 3.51Å; L439-H449 VanDerWaalsContact CA-O 3.27Å; L439-H449 WeakPolarHBondContact CA-O 3.46Å; L439-L450 HydrophobicContact CB-CD2 3.72Å
440K96.1Very high95.4Very high114 Ų11457.7 Ų57.750%0.49632%0.316SS..EExtended strand (participates in β ladder)trans-116.8143.1163.4-67168.5-177176.60109.7S448 H449 F451K440-S448 PolarHBondContact O-N 2.98Å; K440-S448 PolarHBondContact O-OG 2.85Å; K440-H449 HydrophobicContact CB-CB 4.11Å; K440-H449 PolarHBondContact N-O 2.71Å; K440-H449 PolarHBondContact O-N 3.29Å; K440-F451 HydrophobicContact CD-CE2 3.76Å; K440-F451 HydrophobicContact CD-CZ 4.05Å; K440-F451 HydrophobicContact CG-CE2 3.93Å
441K95.1Very high95.5Very high95 Ų9559 Ų5941%0.41332%0.32SS..EExtended strand (participates in β ladder)trans-107.4148.3171.4-63.6-179.9176.3-176.30109E410 L439 G445 K446 I447E410-K441 VanDerWaalsContact CD-NZ 3.25Å; E410-K441 VanDerWaalsContact OE1-CE 3.27Å; E410-K441 WeakPolarHBondContact OE1-CE 3.34Å; E410-K441 IonicContact OE1-NZ 3.43Å; E410-K441 PolarHBondContact OE1-NZ 2.91Å; E410-K441 IonicContact OE2-NZ 2.73Å; E410-K441 PolarHBondContact OE2-NZ 2.96Å; L439-K441 HydrophobicContact CD1-CD 4.25Å; L439-K441 HydrophobicContact CD1-CG 3.78Å; K441-G445 WeakPolarHBondContact CD-O 3.41Å; K441-K446 CarbonylContact C-O 3.52Å; K441-K446 WeakPolarHBondContact CA-O 2.96Å; K441-I447 HydrophobicContact CG-CG1 4.23Å
442D92.1Very high95.7Very high59 Ų5957.1 Ų57.132%0.31630%0.3SS..  trans-75.4-178.4170.770.114000111.6N444 G445 K446D442-N444 PolarHBondContact O-N 2.92Å; D442-N444 VanDerWaalsContact O-N 3.17Å; D442-N444 VanDerWaalsContact OD1-CA 3.32Å; D442-N444 WeakPolarHBondContact OD1-CA 3.25Å; D442-N444 WeakPolarHBondContact OD1-CB 3.35Å; D442-N444 PolarHBondContact OD1-N 2.92Å; D442-G445 PolarHBondContact O-N 2.95Å; D442-G445 PolarHBondContact OD1-N 2.78Å; D442-K446 PolarHBondContact N-O 3.48Å; D442-K446 PolarHBondContact OD1-N 3.26Å
443S92.7Very high95.7Very high122 Ų12261.9 Ų61.985%0.85332%0.321SS*.THydrogen-bonded Turntrans-62.4-18.5178.455.20000114.2
444N90.8Very high95.7Very high143 Ų14361.8 Ų61.877%0.76532%0.321SS*.THydrogen-bonded Turntrans-94.31.6177.6-59.5-38.8000112D442 K446D442-N444 PolarHBondContact O-N 2.92Å; D442-N444 VanDerWaalsContact O-N 3.17Å; D442-N444 VanDerWaalsContact OD1-CA 3.32Å; D442-N444 WeakPolarHBondContact OD1-CA 3.25Å; D442-N444 WeakPolarHBondContact OD1-CB 3.35Å; D442-N444 PolarHBondContact OD1-N 2.92Å; N444-K446 PolarHBondContact O-N 2.69Å
445G89.6Confident95.6Very high45 Ų4565.6 Ų65.646%0.46434%0.339SS..SBendtrans76.57.7-175.700000113.9K441 D442K441-G445 WeakPolarHBondContact CD-O 3.41Å; D442-G445 PolarHBondContact O-N 2.95Å; D442-G445 PolarHBondContact OD1-N 2.78Å
446K91.5Very high95.5Very high118 Ų11866 Ų6651%0.51334%0.339SS..  trans-79.1139.5173.9-171.4-179.9-179.9-179.70108.9K441 D442 N444 S448K441-K446 CarbonylContact C-O 3.52Å; K441-K446 WeakPolarHBondContact CA-O 2.96Å; D442-K446 PolarHBondContact N-O 3.48Å; D442-K446 PolarHBondContact OD1-N 3.26Å; N444-K446 PolarHBondContact O-N 2.69Å; K446-S448 PolarHBondContact O-N 2.59Å
447I93.4Very high95.3Very high27 Ų2766.3 Ų66.314%0.13835%0.345CS..EExtended strand (participates in β ladder)trans-67.5121.7177.2-61.7153.6000108.4I360 F408 E410 K441 L450I360-I447 HydrophobicContact CD1-CB 4.32Å; I360-I447 HydrophobicContact CD1-CG2 4.17Å; I360-I447 HydrophobicContact CG2-CG2 4.32Å; F408-I447 HydrophobicContact CD1-CD1 3.74Å; F408-I447 HydrophobicContact CD1-CG2 4.42Å; F408-I447 HydrophobicContact CE1-CD1 3.69Å; E410-I447 HydrophobicContact CG-CD1 4.08Å; K441-I447 HydrophobicContact CG-CG1 4.23Å; I447-L450 HydrophobicContact CG2-CD2 3.7Å; I447-L450 HydrophobicContact CG2-CG 4.28Å
448S93.8Very high95.1Very high46 Ų4668 Ų6832%0.32235%0.354SS..EExtended strand (participates in β ladder)trans-110.7-28.9-17756.50000112.6I361 K440 K446I361-S448 PolarHBondContact N-O 2.72Å; K440-S448 PolarHBondContact O-N 2.98Å; K440-S448 PolarHBondContact O-OG 2.85Å; K446-S448 PolarHBondContact O-N 2.59Å
449H98.2Very high94.9Very high29 Ų2969.2 Ų69.213%0.13436%0.361CS..EExtended strand (participates in β ladder)trans-145.6130.6-174.8-158.9160.7000110.7I361 T363 L439 K440 F451I361-H449 WeakPolarHBondContact CG2-NE2 3.01Å; I361-H449 CarbonylContact O-C 3.6Å; I361-H449 WeakPolarHBondContact O-CA 3.38Å; I361-H449 PolarHBondContact O-CD2 3.48Å; T363-H449 PolarHBondContact OG1-CE1 3.24Å; T363-H449 PolarHBondContact OG1-NE2 3.36Å; L439-H449 CarbonylContact C-O 3.51Å; L439-H449 VanDerWaalsContact CA-O 3.27Å; L439-H449 WeakPolarHBondContact CA-O 3.46Å; K440-H449 HydrophobicContact CB-CB 4.11Å; K440-H449 PolarHBondContact N-O 2.71Å; K440-H449 PolarHBondContact O-N 3.29Å; H449-F451 HydrophobicContact CB-CE2 4.5Å; H449-F451 AromaticContact CD2-CZ 3.97Å; H449-F451 AromaticContact CE1-CE1 3.86Å; H449-F451 AromaticContact CE1-CZ 3.61Å; H449-F451 AromaticContact CG-CZ 3.89Å; H449-F451 AromaticContact ND1-CZ 3.64Å; H449-F451 AromaticContact NE2-CE1 3.77Å; H449-F451 AromaticContact NE2-CZ 3.77Å
450L98.2Very high94.5Very high0 Ų068.6 Ų68.60%036%0.36CS..EExtended strand (participates in β ladder)trans-108.9134.6169.6-58.8175.3000110.3I360 I361 V362 T363 I403 F408 L419 F436 L439 I447 V452I360-L450 HydrophobicContact CG2-CD1 4.16Å; I360-L450 HydrophobicContact CG2-CG 3.93Å; I361-L450 PolarHBondContact O-N 2.98Å; V362-L450 CarbonylContact C-O 3.51Å; V362-L450 VanDerWaalsContact CA-O 3.28Å; V362-L450 WeakPolarHBondContact CA-O 3.44Å; V362-L450 HydrophobicContact CG2-CB 4.28Å; V362-L450 HydrophobicContact CG2-CD1 4.37Å; T363-L450 PolarHBondContact N-O 2.73Å; I403-L450 HydrophobicContact CD1-CD1 4.06Å; F408-L450 HydrophobicContact CB-CD1 3.66Å; F408-L450 HydrophobicContact CD1-CD1 4.15Å; F408-L450 HydrophobicContact CD1-CD2 3.82Å; F408-L450 HydrophobicContact CD2-CD1 3.83Å; F408-L450 HydrophobicContact CD2-CD2 4.19Å; F408-L450 HydrophobicContact CE1-CD2 3.76Å; F408-L450 HydrophobicContact CE2-CD2 4.14Å; F408-L450 HydrophobicContact CG-CD1 3.6Å; F408-L450 HydrophobicContact CG-CD2 4.02Å; F408-L450 HydrophobicContact CG-CG 4.46Å; F408-L450 HydrophobicContact CZ-CD2 3.92Å; L419-L450 HydrophobicContact CD2-CD1 4.1Å; F436-L450 HydrophobicContact CE2-CD2 4.29Å; L439-L450 HydrophobicContact CB-CD2 3.72Å; I447-L450 HydrophobicContact CG2-CD2 3.7Å; I447-L450 HydrophobicContact CG2-CG 4.28Å; L450-V452 HydrophobicContact CB-CG1 4.47Å
451F98.6Very high94.2Very high34 Ų3469 Ų6915%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-101.1129.8166.1-60.9-84.2000107.5T363 T365 F437 D438 K440 H449T363-F451 HydrophobicContact CG2-CD1 4.35Å; T363-F451 HydrophobicContact CG2-CE1 4.49Å; T365-F451 HydrophobicContact CG2-CB 3.85Å; T365-F451 HydrophobicContact CG2-CD1 4.06Å; T365-F451 HydrophobicContact CG2-CG 4.43Å; F437-F451 WeakPolarHBondContact CA-O 3.42Å; F437-F451 VanDerWaalsContact CB-O 3.32Å; F437-F451 WeakPolarHBondContact CB-O 3.32Å; F437-F451 HydrophobicContact CD1-CB 4.12Å; F437-F451 PolarHBondContact N-O 3.2Å; D438-F451 HydrophobicContact CB-CB 4.07Å; D438-F451 HydrophobicContact CB-CD2 4.14Å; D438-F451 HydrophobicContact CB-CG 4.49Å; D438-F451 PolarHBondContact N-O 2.97Å; D438-F451 PolarHBondContact O-N 2.92Å; K440-F451 HydrophobicContact CD-CE2 3.76Å; K440-F451 HydrophobicContact CD-CZ 4.05Å; K440-F451 HydrophobicContact CG-CE2 3.93Å; H449-F451 HydrophobicContact CB-CE2 4.5Å; H449-F451 AromaticContact CD2-CZ 3.97Å; H449-F451 AromaticContact CE1-CE1 3.86Å; H449-F451 AromaticContact CE1-CZ 3.61Å; H449-F451 AromaticContact CG-CZ 3.89Å; H449-F451 AromaticContact ND1-CZ 3.64Å; H449-F451 AromaticContact NE2-CE1 3.77Å; H449-F451 AromaticContact NE2-CZ 3.77Å
452V98.4Very high93.9Very high0 Ų073.3 Ų73.30%039%0.39CS..EExtended strand (participates in β ladder)trans-130157.6-177.9-59.40000110.6V362 T363 I364 T365 L419 I434 E435 L450V362-V452 HydrophobicContact CG1-CB 4.33Å; V362-V452 HydrophobicContact CG1-CG1 3.88Å; V362-V452 HydrophobicContact CG1-CG2 3.49Å; V362-V452 VanDerWaalsContact CG1-CG2 3.49Å; T363-V452 PolarHBondContact O-N 3.12Å; I364-V452 HydrophobicContact CG1-CG2 3.99Å; T365-V452 PolarHBondContact N-O 2.92Å; T365-V452 PolarHBondContact OG1-O 3.27Å; L419-V452 HydrophobicContact CD2-CG1 4.17Å; I434-V452 HydrophobicContact CB-CB 4.18Å; I434-V452 HydrophobicContact CB-CG2 4.05Å; I434-V452 HydrophobicContact CD1-CG1 4.42Å; I434-V452 HydrophobicContact CG2-CG2 4.1Å; E435-V452 CarbonylContact O-C 3.6Å; E435-V452 WeakPolarHBondContact O-CA 3.15Å; E435-V452 WeakPolarHBondContact O-CB 3.44Å; L450-V452 HydrophobicContact CB-CG1 4.47Å
453K97.9Very high94Very high100 Ų10071 Ų7144%0.43538%0.379SS..EExtended strand (participates in β ladder)trans-102.6144.5161-70.7-176.2177.6-174.90108.4N366 I434 E435 F437N366-K453 WeakPolarHBondContact OD1-CA 3.42Å; I434-K453 CarbonylContact C-O 3.49Å; I434-K453 WeakPolarHBondContact CA-O 3.23Å; E435-K453 PolarHBondContact N-O 3.44Å; E435-K453 PolarHBondContact O-N 3.09Å; F437-K453 HydrophobicContact CD2-CD 4.41Å
454A97.7Very high94.1Very high0 Ų071.8 Ų71.80%037%0.367CS..EExtended strand (participates in β ladder)trans-118.4147177.300000111.2I364 N366 L370 L432 V433 I434I364-A454 HydrophobicContact CD1-CB 4.4Å; I364-A454 HydrophobicContact CG2-CB 3.65Å; N366-A454 PolarHBondContact ND2-O 2.95Å; N366-A454 PolarHBondContact OD1-N 3.26Å; L370-A454 HydrophobicContact CD1-CB 3.64Å; L432-A454 HydrophobicContact CD1-CB 4.2Å; V433-A454 CarbonylContact O-C 3.55Å; V433-A454 VanDerWaalsContact O-CA 3.29Å; V433-A454 WeakPolarHBondContact O-CA 3.3Å; I434-A454 HydrophobicContact CG2-CB 3.98Å
455Q96.9Very high94.3Very high80 Ų8066.1 Ų66.137%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-130.7154.6172.2-67.4178-17.500108.4L432 V433L432-Q455 CarbonylContact C-O 3.59Å; L432-Q455 WeakPolarHBondContact CA-O 3.31Å; V433-Q455 PolarHBondContact N-O 2.86Å; V433-Q455 PolarHBondContact O-N 2.82Å
456K95.8Very high94.6Very high89 Ų8967.8 Ų67.839%0.38733%0.334SS..EExtended strand (participates in β ladder)trans-66.9149171.5-63.4-178.4178176.40110.2G431 L432 E458 D459 S460G431-K456 WeakPolarHBondContact O-CA 3.41Å; L432-K456 HydrophobicContact CD2-CG 4.44Å; K456-E458 HydrophobicContact CB-CG 3.88Å; K456-E458 HydrophobicContact CD-CG 4.26Å; K456-E458 WeakPolarHBondContact CD-OE1 3.46Å; K456-E458 IonicContact NZ-OE1 3.58Å; K456-E458 PolarHBondContact NZ-OE1 3.1Å; K456-E458 PolarHBondContact O-N 2.85Å; K456-D459 PolarHBondContact O-N 2.88Å; K456-S460 WeakPolarHBondContact O-CB 3.18Å; K456-S460 PolarHBondContact O-N 3.1Å; K456-S460 PolarHBondContact O-OG 2.7Å
457V94.2Very high94.9Very high56 Ų5662.2 Ų62.234%0.33931%0.31SS..G310 helixtrans-58-32.4177.6170.60000111.8G431 V433 D459 S460 F466G431-V457 VanDerWaalsContact C-CG2 3.48Å; G431-V457 WeakPolarHBondContact O-CG2 3.22Å; G431-V457 PolarHBondContact O-N 2.85Å; V433-V457 HydrophobicContact CG2-CG2 3.8Å; V457-D459 VanDerWaalsContact C-N 3.34Å; V457-S460 WeakPolarHBondContact CA-OG 3.32Å; V457-S460 PolarHBondContact O-OG 3.45Å; V457-F466 HydrophobicContact CG2-CE1 4.1Å; V457-F466 HydrophobicContact CG2-CZ 4.27Å
458E92.9Very high95.1Very high149 Ų14961 Ų6170%0.69630%0.304SS*.G310 helixtrans-69.9-27.1177.364.2-164.8-17700113.9K456K456-E458 HydrophobicContact CB-CG 3.88Å; K456-E458 HydrophobicContact CD-CG 4.26Å; K456-E458 WeakPolarHBondContact CD-OE1 3.46Å; K456-E458 IonicContact NZ-OE1 3.58Å; K456-E458 PolarHBondContact NZ-OE1 3.1Å; K456-E458 PolarHBondContact O-N 2.85Å
459D92.9Very high95.3Very high114 Ų11458.9 Ų58.961%0.6129%0.289SS*.G310 helixtrans-100.8-1.2-176.3-60.4-42.2000113.1K456 V457K456-D459 PolarHBondContact O-N 2.88Å; V457-D459 VanDerWaalsContact C-N 3.34Å
460S88.5Confident95.3Very high21 Ų2157.5 Ų57.515%0.14728%0.283CS..SBendtrans-116.4161.3-172.156.10000112.5V433 K456 V457 K462V433-S460 WeakPolarHBondContact CG2-OG 3.29Å; K456-S460 WeakPolarHBondContact O-CB 3.18Å; K456-S460 PolarHBondContact O-N 3.1Å; K456-S460 PolarHBondContact O-OG 2.7Å; V457-S460 WeakPolarHBondContact CA-OG 3.32Å; V457-S460 PolarHBondContact O-OG 3.45Å; S460-K462 PolarHBondContact O-N 3.27Å
461T88.5Confident95.3Very high122 Ų12257.9 Ų57.975%0.74829%0.285SS*.PPolyproline II helixtrans-67.4131.2168.9-58.80000108.9P463T461-P463 VanDerWaalsContact O-N 3.1Å
462K90.2Very high95.2Very high186 Ų18659.3 Ų59.381%0.80929%0.294SS*.PPolyproline II helixtrans-48.7118.6-178.8-176.5175.1-178.6173.90111.2S460S460-K462 PolarHBondContact O-N 3.27Å
463P93.4Very high95.1Very high11 Ų1160.4 Ų60.47%0.07130%0.301CS..PPolyproline II helixtrans-71154.5-176.730.9-37.4000110.9V433 T461 A465 F466V433-P463 HydrophobicContact CG1-CB 4.27Å; V433-P463 HydrophobicContact CG2-CB 4.34Å; V433-P463 HydrophobicContact CG2-CG 3.83Å; T461-P463 VanDerWaalsContact O-N 3.1Å; P463-A465 VanDerWaalsContact C-N 3.29Å; P463-A465 PolarHBondContact O-N 2.83Å; P463-F466 HydrophobicContact CG-CD2 4.33Å; P463-F466 HydrophobicContact CG-CE1 4.33Å; P463-F466 HydrophobicContact CG-CE2 3.66Å; P463-F466 HydrophobicContact CG-CZ 3.66Å
464K94Very high95.1Very high138 Ų13857.2 Ų57.260%0.629%0.289SS*.SBendtrans-74-20.2-179.8-65.2-175-168.5165.80113.6R417 Q423R417-K464 HydrophobicContact CB-CB 4.08Å; R417-K464 HydrophobicContact CG-CB 4.43Å; Q423-K464 VanDerWaalsContact OE1-CD 3.29Å
465A95.8Very high95.1Very high24 Ų2462.4 Ų62.420%0.19831%0.313CS..  trans-154.6163.3177.600000111.1R417 V425 G426 P463R417-A465 HydrophobicContact CB-CB 4Å; R417-A465 VanDerWaalsContact O-CB 3.31Å; R417-A465 WeakPolarHBondContact O-CB 3.43Å; V425-A465 HydrophobicContact CG2-CB 4.41Å; V425-A465 VanDerWaalsContact CG2-O 3.3Å; V425-A465 WeakPolarHBondContact CG2-O 3.32Å; G426-A465 PolarHBondContact N-O 2.82Å; P463-A465 VanDerWaalsContact C-N 3.29Å; P463-A465 PolarHBondContact O-N 2.83Å
466F97Very high95.1Very high80 Ų8058.7 Ų58.735%0.35130%0.296SS..EExtended strand (participates in β ladder)trans-118.7132.2168.2-73.9-100.9000109.8G426 R428 V457 P463G426-F466 VanDerWaalsContact CA-CD1 3.49Å; G426-F466 CarbonylContact O-C 3.55Å; G426-F466 WeakPolarHBondContact O-CA 3.44Å; R428-F466 HydrophobicContact CG-CB 3.79Å; V457-F466 HydrophobicContact CG2-CE1 4.1Å; V457-F466 HydrophobicContact CG2-CZ 4.27Å; P463-F466 HydrophobicContact CG-CD2 4.33Å; P463-F466 HydrophobicContact CG-CE1 4.33Å; P463-F466 HydrophobicContact CG-CE2 3.66Å; P463-F466 HydrophobicContact CG-CZ 3.66Å
467I97.8Very high95.3Very high0 Ų055.8 Ų55.80%028%0.283CS..EExtended strand (participates in β ladder)trans-106.7154.1178.559.8170.1000110.8I403 D407 R418 V425 G426 L427 R428I403-I467 HydrophobicContact CB-CD1 4.24Å; I403-I467 HydrophobicContact CD1-CD1 4.2Å; I403-I467 HydrophobicContact CG2-CD1 3.85Å; D407-I467 HydrophobicContact CB-CD1 4.06Å; D407-I467 HydrophobicContact CB-CG2 4.17Å; R418-I467 HydrophobicContact CB-CG2 4.3Å; R418-I467 HydrophobicContact CG-CG2 3.97Å; V425-I467 HydrophobicContact CG1-CD1 3.7Å; V425-I467 HydrophobicContact CG1-CG1 3.96Å; V425-I467 HydrophobicContact CG2-CB 4.46Å; V425-I467 HydrophobicContact CG2-CD1 4.48Å; V425-I467 HydrophobicContact CG2-CG1 4.11Å; V425-I467 HydrophobicContact CG2-CG2 3.75Å; G426-I467 PolarHBondContact O-N 2.93Å; L427-I467 HydrophobicContact CD2-CD1 4.15Å; L427-I467 HydrophobicContact CD2-CG1 3.89Å; R428-I467 WeakPolarHBondContact CB-O 3.43Å; R428-I467 WeakPolarHBondContact CG-O 3.45Å; R428-I467 PolarHBondContact N-O 2.56Å
468H97.3Very high95.5Very high2 Ų253.1 Ų53.11%0.00927%0.267CS..  trans-78.7164.5168.964.5-105.6000108.7M354 A355 E404 E530 R531M354-H468 HydrophobicContact CG-CB 4.23Å; A355-H468 PolarHBondContact O-CD2 3.3Å; A355-H468 PolarHBondContact O-NE2 3.02Å; A355-H468 VanDerWaalsContact O-NE2 3.15Å; E404-H468 WeakPolarHBondContact CG-NE2 3.2Å; H468-E530 HydrophobicContact CB-CB 3.84Å; H468-E530 PolarHBondContact CE1-O 3.5Å; H468-E530 PolarHBondContact ND1-O 2.92Å; H468-R531 PolarHBondContact CE1-NH1 3.44Å; H468-R531 PolarHBondContact ND1-NH1 2.79Å
469W98.3Very high95.7Very high1 Ų147.5 Ų47.50%0.00424%0.239CC..  trans-157.7160.4179.953.3-84.7000108.5M354 L379 V395 L396 L397 L401 Y402 I403 L427 R428 A430M354-W469 WeakPolarHBondContact CB-O 3.4Å; M354-W469 HydrophobicContact CE-CD2 4.44Å; M354-W469 HydrophobicContact CE-CH2 4.22Å; M354-W469 HydrophobicContact CE-CZ2 3.99Å; M354-W469 HydrophobicContact SD-CD2 4.39Å; M354-W469 HydrophobicContact SD-CG 4.47Å; L379-W469 HydrophobicContact CD1-CH2 3.77Å; L379-W469 HydrophobicContact CD1-CZ2 3.62Å; V395-W469 HydrophobicContact CG2-CH2 4.26Å; L396-W469 WeakPolarHBondContact O-CZ3 3.33Å; L397-W469 HydrophobicContact CB-CH2 3.77Å; L397-W469 HydrophobicContact CB-CZ3 4.23Å; L397-W469 HydrophobicContact CD1-CD2 4.46Å; L397-W469 HydrophobicContact CD1-CE3 4.08Å; L397-W469 HydrophobicContact CD1-CH2 3.66Å; L397-W469 HydrophobicContact CD1-CZ2 4.04Å; L397-W469 HydrophobicContact CD1-CZ3 3.67Å; L397-W469 HydrophobicContact CG-CH2 4.29Å; L401-W469 HydrophobicContact CB-CE3 4.34Å; L401-W469 HydrophobicContact CD1-CB 4.02Å; Y402-W469 CarbonylContact O-C 3.58Å; Y402-W469 WeakPolarHBondContact O-CA 3.25Å; Y402-W469 WeakPolarHBondContact O-CB 3.48Å; I403-W469 HydrophobicContact CG2-CB 4.13Å; L427-W469 HydrophobicContact CD2-CB 4.34Å; L427-W469 HydrophobicContact CD2-CG 4.23Å; R428-W469 PolarHBondContact O-NE1 3.12Å; A430-W469 HydrophobicContact CB-CZ2 3.92Å
470V98.1Very high96Very high1 Ų142.7 Ų42.71%0.00621%0.214CC..BIsolated β-bridgetrans-129.7137.7171.9-177.90000108.5M354 V356 L401 Y402 P473M354-V470 HydrophobicContact CB-CG2 4.01Å; M354-V470 VanDerWaalsContact O-CG2 3.28Å; M354-V470 WeakPolarHBondContact O-CG2 3.41Å; V356-V470 HydrophobicContact CG2-CB 4.49Å; V356-V470 HydrophobicContact CG2-CG2 4.02Å; L401-V470 CarbonylContact C-O 3.56Å; L401-V470 WeakPolarHBondContact CA-O 3.21Å; Y402-V470 WeakPolarHBondContact CD2-O 3.38Å; Y402-V470 PolarHBondContact N-O 3.44Å; Y402-V470 PolarHBondContact O-N 3Å; V470-P473 HydrophobicContact CG1-CB 3.64Å
471S97.4Very high96.3Very high7 Ų742 Ų425%0.04921%0.208CC..SBendtrans-127155.6166.696.50000109.1L396 Q398 E400L396-S471 PolarHBondContact O-OG 2.88Å; Q398-S471 PolarHBondContact N-OG 2.94Å; E400-S471 WeakPolarHBondContact O-CB 3.38Å
472N95.9Very high96.5Very high65 Ų6537.4 Ų37.435%0.34818%0.179SC..SBendtrans47.352.3-170.3-171.536.8000113.4Q516N472-Q516 WeakPolarHBondContact O-CG 3.44Å; N472-Q516 PolarHBondContact O-NE2 3.01Å
473P97.1Very high96.8Very high23 Ų2332.2 Ų32.215%0.14915%0.154CC..PPolyproline II helixtrans-69.9158.4-167.730.5-37.7000114.2Y402 V470 L513 I514 Q516Y402-P473 HydrophobicContact CD2-CG 4.02Å; Y402-P473 HydrophobicContact CE2-CG 3.72Å; V470-P473 HydrophobicContact CG1-CB 3.64Å; P473-L513 HydrophobicContact CB-CB 3.74Å; P473-L513 HydrophobicContact CB-CD1 4.34Å; P473-L513 HydrophobicContact CB-CD2 4.01Å; P473-L513 HydrophobicContact CB-CG 4.24Å; P473-L513 HydrophobicContact CG-CB 4.37Å; P473-L513 HydrophobicContact CG-CD1 4.08Å; P473-L513 HydrophobicContact CG-CD2 3.98Å; P473-L513 HydrophobicContact CG-CG 4.38Å; P473-I514 CarbonylContact C-O 3.47Å; P473-I514 WeakPolarHBondContact CA-O 3.49Å; P473-Q516 PolarHBondContact O-NE2 2.79Å
474L96.9Very high96.9Very high33 Ų3331.9 Ų31.917%0.17315%0.152CC..EExtended strand (participates in β ladder)trans-90.1147.4152.9-65171.2000109.3L513 I514 V518 K519 M546L474-L513 CarbonylContact O-C 3.53Å; L474-L513 WeakPolarHBondContact O-CA 3.2Å; L474-I514 HydrophobicContact CB-CG2 3.98Å; L474-I514 PolarHBondContact N-O 2.88Å; L474-I514 PolarHBondContact O-N 3.35Å; L474-V518 HydrophobicContact CD1-CG2 4.34Å; L474-K519 HydrophobicContact CD1-CB 3.88Å; L474-K519 HydrophobicContact CD1-CG 4.27Å; L474-M546 HydrophobicContact CB-CE 3.91Å; L474-M546 HydrophobicContact CD1-CE 4.15Å
475H97.6Very high97.1Very high108 Ų10825.3 Ų25.350%0.512%0.123SC..EExtended strand (participates in β ladder)trans-90143.8173.3-68.1-104.1000110.7D511 A512H475-D511 IonicContact CE1-OD1 3.83Å; H475-D511 IonicContact CG-OD1 2.73Å; H475-D511 IonicContact ND1-OD1 3.31Å; H475-D511 PolarHBondContact ND1-OD1 2.95Å; H475-D511 IonicContact ND1-OD2 3.42Å; H475-A512 CarbonylContact C-O 3.52Å; H475-A512 WeakPolarHBondContact CA-O 3.45Å
476F98.2Very high97.1Very high3 Ų328.3 Ų28.31%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-154158.3177.379.5-82.3000112.9A355 L357 A478 A512 I514 F529 M546 F548A355-F476 HydrophobicContact CB-CE1 4.34Å; A355-F476 HydrophobicContact CB-CZ 4.32Å; L357-F476 HydrophobicContact CD2-CE2 4.24Å; L357-F476 HydrophobicContact CD2-CZ 3.64Å; F476-A478 HydrophobicContact CD2-CB 4.31Å; F476-A478 HydrophobicContact CE2-CB 3.59Å; F476-A478 HydrophobicContact CZ-CB 4.25Å; F476-A512 VanDerWaalsContact CD1-C 3.45Å; F476-A512 HydrophobicContact CD1-CB 3.79Å; F476-A512 VanDerWaalsContact CD1-O 3.27Å; F476-A512 WeakPolarHBondContact CD1-O 3.49Å; F476-A512 HydrophobicContact CD2-CB 4.28Å; F476-A512 HydrophobicContact CE1-CB 3.35Å; F476-A512 HydrophobicContact CE2-CB 3.91Å; F476-A512 HydrophobicContact CG-CB 4.24Å; F476-A512 HydrophobicContact CZ-CB 3.44Å; F476-A512 VanDerWaalsContact CZ-CB 3.44Å; F476-A512 PolarHBondContact N-O 3.15Å; F476-A512 WeakPolarHBondContact O-CB 3.46Å; F476-A512 PolarHBondContact O-N 3.18Å; F476-I514 HydrophobicContact CD1-CB 3.82Å; F476-I514 HydrophobicContact CD1-CG2 3.7Å; F476-I514 HydrophobicContact CE1-CB 3.72Å; F476-I514 HydrophobicContact CE1-CG2 4.15Å; F476-I514 HydrophobicContact CG-CG2 4.42Å; F476-F529 AromaticContact CE2-CE2 3.92Å; F476-F529 HydrophobicContact CE2-CE2 3.92Å; F476-F529 HydrophobicContact CE2-CZ 4.42Å; F476-F529 AromaticContact CZ-CE2 3.7Å; F476-F529 HydrophobicContact CZ-CE2 3.7Å; F476-F529 HydrophobicContact CZ-CZ 4.34Å; F476-M546 CarbonylContact C-O 3.51Å; F476-M546 VanDerWaalsContact CA-O 3.25Å; F476-M546 WeakPolarHBondContact CA-O 3.32Å; F476-M546 HydrophobicContact CB-CB 3.98Å; F476-M546 HydrophobicContact CB-CE 3.73Å; F476-M546 HydrophobicContact CB-CG 4.2Å; F476-M546 WeakPolarHBondContact CB-O 3.35Å; F476-M546 HydrophobicContact CG-CE 4.48Å; F476-F548 HydrophobicContact CB-CD2 4.29Å; F476-F548 HydrophobicContact CD2-CB 3.95Å; F476-F548 AromaticContact CD2-CD2 3.53Å; F476-F548 HydrophobicContact CD2-CD2 3.53Å; F476-F548 HydrophobicContact CD2-CE2 4.48Å; F476-F548 HydrophobicContact CD2-CG 4.17Å; F476-F548 HydrophobicContact CE2-CB 3.88Å; F476-F548 HydrophobicContact CE2-CD2 4.01Å; F476-F548 HydrophobicContact CE2-CG 4.29Å; F476-F548 HydrophobicContact CG-CD2 4.03Å
477E98.5Very high97.1Very high28 Ų2826.1 Ų26.113%0.13113%0.132CC..EExtended strand (participates in β ladder)trans-90.3121.9170.1-179-176126.700110.2R479 V508 I509 H545 M546 V547 F548E477-R479 HydrophobicContact CG-CG 4.44Å; E477-R479 IonicContact OE1-CZ 3.38Å; E477-R479 IonicContact OE1-NE 3.51Å; E477-R479 PolarHBondContact OE1-NE 3.47Å; E477-R479 IonicContact OE1-NH2 3.77Å; E477-R479 PolarHBondContact OE1-NH2 2.68Å; E477-R479 VanDerWaalsContact OE1-NH2 3.1Å; E477-V508 HydrophobicContact CG-CG1 3.55Å; E477-I509 CarbonylContact C-O 3.49Å; E477-I509 WeakPolarHBondContact CA-O 3.48Å; E477-H545 IonicContact OE2-CE1 2.67Å; E477-H545 PolarHBondContact OE2-CE1 2.7Å; E477-H545 VanDerWaalsContact OE2-CE1 3.32Å; E477-H545 IonicContact OE2-NE2 3.81Å; E477-H545 PolarHBondContact OE2-NE2 2.89Å; E477-M546 PolarHBondContact N-O 3.35Å; E477-V547 HydrophobicContact CB-CG1 4.48Å; E477-V547 HydrophobicContact CB-CG2 4.31Å; E477-V547 WeakPolarHBondContact O-CA 3.27Å; E477-F548 PolarHBondContact O-N 3.23Å
478A98.5Very high96.9Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-98126.2172.300000110.7L357 F476 L480 I509 A512L357-A478 HydrophobicContact CD2-CB 3.69Å; F476-A478 HydrophobicContact CD2-CB 4.31Å; F476-A478 HydrophobicContact CE2-CB 3.59Å; F476-A478 HydrophobicContact CZ-CB 4.25Å; A478-L480 HydrophobicContact CB-CD2 4.39Å; A478-I509 HydrophobicContact CB-CB 4.23Å; A478-I509 PolarHBondContact N-O 2.88Å; A478-I509 PolarHBondContact O-N 3.39Å; A478-A512 HydrophobicContact CB-CB 4.3Å
479R98.4Very high96.8Very high30 Ų3035.1 Ų35.111%0.11317%0.173CC..EExtended strand (participates in β ladder)trans-106.7112.9175.5-62.7179.2178.8167.81109.9E477 Y481 L506 V508 D538 D540 V547 F548 N549 R550E477-R479 HydrophobicContact CG-CG 4.44Å; E477-R479 IonicContact OE1-CZ 3.38Å; E477-R479 IonicContact OE1-NE 3.51Å; E477-R479 PolarHBondContact OE1-NE 3.47Å; E477-R479 IonicContact OE1-NH2 3.77Å; E477-R479 PolarHBondContact OE1-NH2 2.68Å; E477-R479 VanDerWaalsContact OE1-NH2 3.1Å; R479-Y481 HydrophobicContact CB-CE2 3.85Å; R479-Y481 WeakPolarHBondContact CB-OH 2.94Å; R479-Y481 WeakPolarHBondContact CD-OH 3.49Å; R479-Y481 WeakPolarHBondContact O-CE2 3.46Å; R479-L506 HydrophobicContact CB-CD1 4Å; R479-V508 HydrophobicContact CG-CG2 4.49Å; R479-D538 IonicContact NH1-OD1 2.83Å; R479-D538 PolarHBondContact NH1-OD1 3.26Å; R479-D538 IonicContact NH1-OD2 3.56Å; R479-D540 IonicContact CZ-OD2 3.46Å; R479-D540 VanDerWaalsContact CZ-OD2 3.25Å; R479-D540 IonicContact NH1-OD2 3.39Å; R479-D540 PolarHBondContact NH1-OD2 3.24Å; R479-D540 IonicContact NH2-OD2 3.39Å; R479-D540 PolarHBondContact NH2-OD2 3.01Å; R479-V547 HydrophobicContact CG-CG1 4.26Å; R479-F548 PolarHBondContact N-O 2.87Å; R479-N549 WeakPolarHBondContact CD-OD1 3.49Å; R479-R550 PolarHBondContact O-N 3.48Å
480L97.7Very high96.7Very high13 Ų1335.2 Ų35.27%0.06817%0.173CC..EExtended strand (participates in β ladder)trans-104115.3-176.5-47.7-174.7000109.7L357 A478 L506 V507 I509 F535 R550 I562L357-L480 HydrophobicContact CD1-CD1 4.37Å; L357-L480 HydrophobicContact CD1-CD2 4.13Å; A478-L480 HydrophobicContact CB-CD2 4.39Å; L480-L506 WeakPolarHBondContact O-CA 3.37Å; L480-V507 HydrophobicContact CB-CB 4.33Å; L480-V507 PolarHBondContact N-O 3.15Å; L480-V507 PolarHBondContact O-N 3.2Å; L480-I509 HydrophobicContact CD1-CD1 3.76Å; L480-I509 HydrophobicContact CG-CD1 4.42Å; L480-F535 HydrophobicContact CD2-CE1 3.75Å; L480-F535 HydrophobicContact CD2-CZ 4.04Å; L480-R550 HydrophobicContact CD2-CB 3.88Å; L480-I562 HydrophobicContact CB-CD1 3.95Å
481Y95.7Very high96.3Very high8 Ų839.5 Ų39.53%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-97.3140.7-177.7-56.7-76.8000112.2P299 R300 R479 S505 L506 N549 R550P299-Y481 HydrophobicContact CB-CD1 3.96Å; P299-Y481 HydrophobicContact CB-CD2 4.03Å; P299-Y481 HydrophobicContact CB-CE1 3.6Å; P299-Y481 HydrophobicContact CB-CE2 3.72Å; P299-Y481 HydrophobicContact CB-CG 4.14Å; P299-Y481 VanDerWaalsContact CB-CZ 3.48Å; P299-Y481 HydrophobicContact CG-CE1 3.99Å; P299-Y481 HydrophobicContact CG-CE2 4.08Å; P299-Y481 WeakPolarHBondContact CG-OH 3.49Å; R300-Y481 HydrophobicContact CG-CD1 3.68Å; R300-Y481 HydrophobicContact CG-CE1 4.3Å; R479-Y481 HydrophobicContact CB-CE2 3.85Å; R479-Y481 WeakPolarHBondContact CB-OH 2.94Å; R479-Y481 WeakPolarHBondContact CD-OH 3.49Å; R479-Y481 WeakPolarHBondContact O-CE2 3.46Å; Y481-S505 WeakPolarHBondContact CA-O 3.15Å; Y481-L506 HydrophobicContact CD1-CD1 3.97Å; Y481-L506 HydrophobicContact CE1-CD1 3.64Å; Y481-N549 HydrophobicContact CE2-CB 3.74Å; Y481-N549 PolarHBondContact OH-OD1 2.72Å; Y481-R550 PolarHBondContact O-NH2 2.97Å
482D93.8Very high96.1Very high24 Ų2444.8 Ų44.813%0.12822%0.221CC..  trans-126.2178.6168.3-153.2-22.6000109.6L484 S505 T561 I562D482-L484 PolarHBondContact O-N 3.41Å; D482-S505 PolarHBondContact N-O 2.85Å; D482-T561 WeakPolarHBondContact OD2-CA 3.38Å; D482-T561 WeakPolarHBondContact OD2-CB 3.32Å; D482-I562 HydrophobicContact CB-CD1 3.85Å; D482-I562 HydrophobicContact CB-CG1 4.11Å; D482-I562 PolarHBondContact OD2-N 2.9Å
483R94.6Very high96Very high78 Ų7845.2 Ų45.229%0.29422%0.221SC..  trans-54.4130.5175.6-64.4171177.7177-5.8109.9Y276 D334 F485 N502Y276-R483 HydrophobicContact CG-CB 4.47Å; Y276-R483 HydrophobicContact CG-CG 4.32Å; Y276-R483 PolarHBondContact OH-NH1 2.98Å; D334-R483 IonicContact OD1-NH2 3.31Å; D334-R483 IonicContact OD2-NH2 3.87Å; R483-F485 VanDerWaalsContact C-N 3.28Å; R483-F485 PolarHBondContact O-N 2.82Å; R483-N502 WeakPolarHBondContact O-CB 3.47Å; R483-N502 PolarHBondContact O-ND2 3.16Å
484L96.9Very high95.7Very high3 Ų353.8 Ų53.82%0.01626%0.256CS..SBendtrans-65.9-32.1178.8-178.957.4000112.6L287 I292 V293 R300 L301 D482 N502L287-L484 HydrophobicContact CD1-CD2 3.95Å; I292-L484 HydrophobicContact CG2-CD1 3.94Å; V293-L484 HydrophobicContact CG1-CD1 4.16Å; V293-L484 HydrophobicContact CG1-CD2 4.14Å; R300-L484 HydrophobicContact CB-CB 4.35Å; R300-L484 HydrophobicContact CB-CD1 4.29Å; L301-L484 HydrophobicContact CD2-CD2 4.01Å; D482-L484 PolarHBondContact O-N 3.41Å; L484-N502 PolarHBondContact O-N 3.1Å
485F97.7Very high95.5Very high1 Ų159 Ų590%0.00428%0.284CS..BIsolated β-bridgetrans-116.7146.8-178.4-60.4-81.4000111.2Y276 V278 L287 R483 V487 P490 F497 V500 I501Y276-F485 WeakPolarHBondContact CD1-O 3.17Å; Y276-F485 WeakPolarHBondContact O-CD2 3.42Å; V278-F485 HydrophobicContact CB-CE2 4.4Å; V278-F485 HydrophobicContact CB-CZ 4.46Å; V278-F485 HydrophobicContact CG1-CE2 3.9Å; V278-F485 HydrophobicContact CG1-CZ 3.81Å; V278-F485 HydrophobicContact CG2-CE2 3.96Å; V278-F485 HydrophobicContact CG2-CZ 3.86Å; L287-F485 HydrophobicContact CD1-CZ 4.27Å; L287-F485 HydrophobicContact CD2-CZ 4.36Å; R483-F485 VanDerWaalsContact C-N 3.28Å; R483-F485 PolarHBondContact O-N 2.82Å; F485-V487 VanDerWaalsContact C-N 3.34Å; F485-P490 HydrophobicContact CB-CB 4.04Å; F485-P490 HydrophobicContact CB-CG 4.14Å; F485-P490 HydrophobicContact CD1-CB 3.54Å; F485-P490 HydrophobicContact CD1-CG 3.98Å; F485-P490 HydrophobicContact CD2-CB 4.3Å; F485-P490 HydrophobicContact CD2-CG 3.81Å; F485-P490 HydrophobicContact CE1-CB 4Å; F485-P490 HydrophobicContact CE1-CG 4.31Å; F485-P490 HydrophobicContact CE2-CG 4.17Å; F485-P490 HydrophobicContact CG-CB 3.69Å; F485-P490 HydrophobicContact CG-CG 3.7Å; F485-P490 HydrophobicContact CZ-CG 4.41Å; F485-F497 HydrophobicContact CE1-CB 4.27Å; F485-F497 AromaticContact CE1-CD2 3.87Å; F485-F497 HydrophobicContact CE1-CD2 3.87Å; F485-F497 WeakPolarHBondContact CE1-O 3.44Å; F485-F497 HydrophobicContact CZ-CD2 4.01Å; F485-V500 CarbonylContact C-O 3.57Å; F485-V500 WeakPolarHBondContact CA-O 3.47Å; F485-V500 HydrophobicContact CD1-CG2 4.16Å; F485-I501 HydrophobicContact CD1-CD1 3.78Å; F485-I501 HydrophobicContact CE1-CD1 3.35Å; F485-I501 HydrophobicContact CZ-CD1 4.13Å
486T96.1Very high95.3Very high86 Ų8655.4 Ų55.453%0.52828%0.276SS..SBendtrans-81.9-14.2178.257.20000113.1V500 N502T486-V500 PolarHBondContact N-O 3.05Å; T486-V500 PolarHBondContact OG1-O 2.77Å; T486-N502 HydrophobicContact CG2-CB 3.91Å
487V95.8Very high95.1Very high34 Ų3456.1 Ų56.121%0.20628%0.279CS..SBendtrans-119.2152.1-178.6-56.60000111.5Y276 F485 E489 P490 E493 V500Y276-V487 WeakPolarHBondContact CD1-O 3.4Å; Y276-V487 VanDerWaalsContact CE1-C 3.47Å; F485-V487 VanDerWaalsContact C-N 3.34Å; V487-E489 PolarHBondContact O-N 2.74Å; V487-P490 HydrophobicContact CG2-CB 3.98Å; V487-E493 HydrophobicContact CG2-CG 3.77Å; V487-V500 HydrophobicContact CG1-CB 4.3Å; V487-V500 HydrophobicContact CG1-CG1 4.04Å; V487-V500 HydrophobicContact CG2-CB 3.92Å; V487-V500 HydrophobicContact CG2-CG1 4.18Å; V487-V500 HydrophobicContact CG2-CG2 3.68Å
488K94.9Very high95Very high108 Ų10858.4 Ų58.447%0.4729%0.291SS..SBendtrans-62.8-43.8-176.1-77.2-174.3177.5-1750113.2Y275 Y276 P490Y275-K488 WeakPolarHBondContact CA-O 3.43Å; Y275-K488 HydrophobicContact CD1-CB 3.68Å; Y275-K488 HydrophobicContact CD1-CD 4.38Å; Y275-K488 HydrophobicContact CD1-CG 4.26Å; Y275-K488 HydrophobicContact CE1-CB 4.24Å; Y275-K488 HydrophobicContact CE1-CD 4.5Å; Y275-K488 HydrophobicContact CG-CB 4.13Å; Y275-K488 HydrophobicContact CG-CD 4.43Å; Y275-K488 HydrophobicContact CG-CG 4.27Å; Y276-K488 HydrophobicContact CE1-CB 4.48Å; Y276-K488 HydrophobicContact CE1-CG 3.91Å; Y276-K488 HydrophobicContact CE2-CG 3.88Å; Y276-K488 VanDerWaalsContact CZ-CG 3.43Å; Y276-K488 PolarHBondContact N-O 2.96Å; Y276-K488 VanDerWaalsContact OH-CG 3.3Å; Y276-K488 WeakPolarHBondContact OH-CG 3.44Å; K488-P490 WeakPolarHBondContact O-CD 3.35Å
489E94.7Very high94.9Very high84 Ų8461.5 Ų61.539%0.39331%0.313SS..  trans-123.274-174.4-67.5-179.2-123.200109.6Y275 V487 E491 N492Y275-E489 HydrophobicContact CD1-CG 4.06Å; Y275-E489 HydrophobicContact CE1-CG 3.98Å; V487-E489 PolarHBondContact O-N 2.74Å; E489-E491 PolarHBondContact O-N 2.8Å; E489-E491 VanDerWaalsContact O-N 3.07Å; E489-N492 HydrophobicContact CB-CB 4.48Å; E489-N492 PolarHBondContact O-N 2.86Å; E489-N492 PolarHBondContact OE2-ND2 2.82Å
490P95.2Very high94.8Very high2 Ų260.8 Ų60.81%0.01331%0.312CS..G310 helixtrans-62.7-21.1-172.628.5-37.8000112.9V278 F485 V487 K488 N492 E493 F497 V500V278-P490 HydrophobicContact CG1-CG 4.01Å; F485-P490 HydrophobicContact CB-CB 4.04Å; F485-P490 HydrophobicContact CB-CG 4.14Å; F485-P490 HydrophobicContact CD1-CB 3.54Å; F485-P490 HydrophobicContact CD1-CG 3.98Å; F485-P490 HydrophobicContact CD2-CB 4.3Å; F485-P490 HydrophobicContact CD2-CG 3.81Å; F485-P490 HydrophobicContact CE1-CB 4Å; F485-P490 HydrophobicContact CE1-CG 4.31Å; F485-P490 HydrophobicContact CE2-CG 4.17Å; F485-P490 HydrophobicContact CG-CB 3.69Å; F485-P490 HydrophobicContact CG-CG 3.7Å; F485-P490 HydrophobicContact CZ-CG 4.41Å; V487-P490 HydrophobicContact CG2-CB 3.98Å; K488-P490 WeakPolarHBondContact O-CD 3.35Å; P490-N492 VanDerWaalsContact C-N 3.25Å; P490-N492 PolarHBondContact O-N 2.83Å; P490-E493 PolarHBondContact O-N 3.32Å; P490-F497 HydrophobicContact CB-CB 4.06Å; P490-F497 VanDerWaalsContact O-CA 3.27Å; P490-F497 WeakPolarHBondContact O-CA 3.46Å; P490-F497 VanDerWaalsContact O-CB 3.27Å; P490-F497 WeakPolarHBondContact O-CB 3.47Å; P490-V500 HydrophobicContact CB-CG2 3.85Å
491E91.5Very high94.8Very high92 Ų9261.8 Ų61.843%0.4332%0.317SS..G310 helixtrans-69.4-21.8177.3-57.1-168.6-149.100113.6V278 K283 E489V278-E491 HydrophobicContact CG1-CG 3.93Å; K283-E491 HydrophobicContact CD-CG 4.42Å; K283-E491 VanDerWaalsContact NZ-CG 3.25Å; K283-E491 IonicContact NZ-OE2 3.02Å; K283-E491 PolarHBondContact NZ-OE2 3.43Å; E489-E491 PolarHBondContact O-N 2.8Å; E489-E491 VanDerWaalsContact O-N 3.07Å
492N92.9Very high94.8Very high118 Ų11862.3 Ų62.363%0.63132%0.321SS*.G310 helixtrans-942.2-178.9-65.3-19.6000112.7E489 P490E489-N492 HydrophobicContact CB-CB 4.48Å; E489-N492 PolarHBondContact O-N 2.86Å; E489-N492 PolarHBondContact OE2-ND2 2.82Å; P490-N492 VanDerWaalsContact C-N 3.25Å; P490-N492 PolarHBondContact O-N 2.83Å
493E93.4Very high94.9Very high74 Ų7470.4 Ų70.435%0.34636%0.355SS..  trans-73133-179.3-72.2-60.7155.200112.5V487 P490 N495 G496 V500V487-E493 HydrophobicContact CG2-CG 3.77Å; P490-E493 PolarHBondContact O-N 3.32Å; E493-N495 VanDerWaalsContact C-N 3.27Å; E493-N495 PolarHBondContact O-N 3.41Å; E493-G496 PolarHBondContact O-N 2.79Å; E493-V500 HydrophobicContact CB-CG1 4.49Å; E493-V500 HydrophobicContact CG-CB 4.47Å; E493-V500 HydrophobicContact CG-CG1 3.81Å; E493-V500 HydrophobicContact CG-CG2 3.91Å
494K91.2Very high94.9Very high203 Ų20370.8 Ų70.888%0.88336%0.362SS*.THydrogen-bonded Turntrans-59.8-36.6-173.5-66.5-176-179.4179.50113.2G496K494-G496 VanDerWaalsContact C-N 3.28Å
495N92.7Very high94.8Very high142 Ų14270.8 Ų70.876%0.75936%0.363SS*.THydrogen-bonded Turntrans-91.310.1-179.2-62.9-22.5000112.6E493E493-N495 VanDerWaalsContact C-N 3.27Å; E493-N495 PolarHBondContact O-N 3.41Å
496G92.5Very high94.8Very high32 Ų3272.9 Ų72.933%0.3337%0.374SS..  trans83154.7-177.500000113.4E493 K494 L498 S499E493-G496 PolarHBondContact O-N 2.79Å; K494-G496 VanDerWaalsContact C-N 3.28Å; G496-L498 PolarHBondContact O-N 2.91Å; G496-S499 WeakPolarHBondContact O-CB 3.37Å; G496-S499 PolarHBondContact O-N 2.86Å; G496-S499 PolarHBondContact O-OG 2.81Å
497F94.4Very high94.9Very high19 Ų1971 Ų718%0.08336%0.362CS..G310 helixtrans-59.5-23.8-173.470.5-84.6000114.9K283 K286 L287 F485 P490 S499 V500K283-F497 HydrophobicContact CB-CE1 4.2Å; K283-F497 HydrophobicContact CB-CE2 4.21Å; K283-F497 HydrophobicContact CB-CZ 3.8Å; K283-F497 HydrophobicContact CD-CD1 4.28Å; K283-F497 HydrophobicContact CD-CE1 4.16Å; K283-F497 HydrophobicContact CG-CD1 4.42Å; K283-F497 HydrophobicContact CG-CE1 3.8Å; K283-F497 HydrophobicContact CG-CZ 3.94Å; K286-F497 HydrophobicContact CB-CZ 4.11Å; K286-F497 HydrophobicContact CD-CE1 4.4Å; K286-F497 HydrophobicContact CD-CZ 4.18Å; L287-F497 HydrophobicContact CD2-CD2 4.4Å; L287-F497 HydrophobicContact CD2-CE2 3.91Å; L287-F497 HydrophobicContact CG-CE2 4.01Å; F485-F497 HydrophobicContact CE1-CB 4.27Å; F485-F497 AromaticContact CE1-CD2 3.87Å; F485-F497 HydrophobicContact CE1-CD2 3.87Å; F485-F497 WeakPolarHBondContact CE1-O 3.44Å; F485-F497 HydrophobicContact CZ-CD2 4.01Å; P490-F497 HydrophobicContact CB-CB 4.06Å; P490-F497 VanDerWaalsContact O-CA 3.27Å; P490-F497 WeakPolarHBondContact O-CA 3.46Å; P490-F497 VanDerWaalsContact O-CB 3.27Å; P490-F497 WeakPolarHBondContact O-CB 3.47Å; F497-S499 PolarHBondContact O-N 2.58Å; F497-V500 WeakPolarHBondContact O-CG2 3.33Å; F497-V500 PolarHBondContact O-N 3.46Å
498L95.8Very high95Very high75 Ų7572.6 Ų72.639%0.39337%0.372SS..G310 helixtrans-71.2-16.8176.8-62.7178.5000113.1L287 I292 G496 V500 I501L287-L498 HydrophobicContact CD2-CD2 3.61Å; L287-L498 HydrophobicContact CG-CD2 4.49Å; I292-L498 HydrophobicContact CD1-CD2 3.65Å; G496-L498 PolarHBondContact O-N 2.91Å; L498-V500 VanDerWaalsContact C-N 3.26Å; L498-V500 PolarHBondContact O-N 2.87Å; L498-I501 WeakPolarHBondContact O-CG1 3.33Å
499S96Very high95.1Very high65 Ų6568.7 Ų68.746%0.45536%0.356SS..G310 helixtrans-78.7-10.6178.9750000113.7G496 F497G496-S499 WeakPolarHBondContact O-CB 3.37Å; G496-S499 PolarHBondContact O-N 2.86Å; G496-S499 PolarHBondContact O-OG 2.81Å; F497-S499 PolarHBondContact O-N 2.58Å
500V96.5Very high95.2Very high15 Ų1569.1 Ų69.19%0.09137%0.366CS..G310 helixtrans-121.228.7-173.1-68.90000112.2F485 T486 V487 P490 E493 F497 L498F485-V500 CarbonylContact C-O 3.57Å; F485-V500 WeakPolarHBondContact CA-O 3.47Å; F485-V500 HydrophobicContact CD1-CG2 4.16Å; T486-V500 PolarHBondContact N-O 3.05Å; T486-V500 PolarHBondContact OG1-O 2.77Å; V487-V500 HydrophobicContact CG1-CB 4.3Å; V487-V500 HydrophobicContact CG1-CG1 4.04Å; V487-V500 HydrophobicContact CG2-CB 3.92Å; V487-V500 HydrophobicContact CG2-CG1 4.18Å; V487-V500 HydrophobicContact CG2-CG2 3.68Å; P490-V500 HydrophobicContact CB-CG2 3.85Å; E493-V500 HydrophobicContact CB-CG1 4.49Å; E493-V500 HydrophobicContact CG-CB 4.47Å; E493-V500 HydrophobicContact CG-CG1 3.81Å; E493-V500 HydrophobicContact CG-CG2 3.91Å; F497-V500 WeakPolarHBondContact O-CG2 3.33Å; F497-V500 PolarHBondContact O-N 3.46Å; L498-V500 VanDerWaalsContact C-N 3.26Å; L498-V500 PolarHBondContact O-N 2.87Å
501I97.4Very high95.3Very high34 Ų3473.3 Ų73.317%0.17439%0.388CS..BIsolated β-bridgetrans-70.9131.5175.1-59.5-65.3000109.8L287 I292 F485 L498 K503L287-I501 HydrophobicContact CD2-CD1 3.77Å; I292-I501 HydrophobicContact CD1-CD1 4.11Å; I292-I501 HydrophobicContact CD1-CG1 3.92Å; I292-I501 HydrophobicContact CG2-CD1 4.18Å; I292-I501 HydrophobicContact CG2-CG2 3.8Å; F485-I501 HydrophobicContact CD1-CD1 3.78Å; F485-I501 HydrophobicContact CE1-CD1 3.35Å; F485-I501 HydrophobicContact CZ-CD1 4.13Å; L498-I501 WeakPolarHBondContact O-CG1 3.33Å; I501-K503 PolarHBondContact O-N 3.45Å
502N97.1Very high95.6Very high20 Ų2068.9 Ų68.911%0.10737%0.367CS..  trans-77.2111.9169.8-179.59.8000109.6R483 L484 T486 N504 S505R483-N502 WeakPolarHBondContact O-CB 3.47Å; R483-N502 PolarHBondContact O-ND2 3.16Å; L484-N502 PolarHBondContact O-N 3.1Å; T486-N502 HydrophobicContact CG2-CB 3.91Å; N502-N504 PolarHBondContact O-N 3.14Å; N502-N504 PolarHBondContact OD1-N 3.42Å; N502-S505 WeakPolarHBondContact O-CB 3.35Å; N502-S505 PolarHBondContact O-N 3.46Å; N502-S505 VanDerWaalsContact O-N 3.09Å; N502-S505 PolarHBondContact O-OG 3.37Å
503K94.9Very high95.9Very high194 Ų19463.5 Ų63.584%0.84334%0.339SS*.THydrogen-bonded Turntrans-65.1-23.2178-64.1-174.5179.8-177.70113.1I501 S505I501-K503 PolarHBondContact O-N 3.45Å; K503-S505 VanDerWaalsContact C-N 3.35Å
504N94.6Very high96.1Very high85 Ų8560 Ų6046%0.45532%0.322SS..THydrogen-bonded Turntrans-97.518177-59.8-6.6000111.8N502 L506N502-N504 PolarHBondContact O-N 3.14Å; N502-N504 PolarHBondContact OD1-N 3.42Å; N504-L506 PolarHBondContact O-N 2.75Å
505S96.2Very high96.4Very high4 Ų450.6 Ų50.63%0.02828%0.281CS..SBendtrans-63.1-20178.555.30000113.8R300 Y481 D482 N502 K503R300-S505 WeakPolarHBondContact CD-OG 3.33Å; Y481-S505 WeakPolarHBondContact CA-O 3.15Å; D482-S505 PolarHBondContact N-O 2.85Å; N502-S505 WeakPolarHBondContact O-CB 3.35Å; N502-S505 PolarHBondContact O-N 3.46Å; N502-S505 VanDerWaalsContact O-N 3.09Å; N502-S505 PolarHBondContact O-OG 3.37Å; K503-S505 VanDerWaalsContact C-N 3.35Å
506L97.4Very high96.6Very high45 Ų4547 Ų4724%0.23626%0.26CS..EExtended strand (participates in β ladder)trans-137.9123.3171.3170.258.5000109R479 L480 Y481 N504 V508R479-L506 HydrophobicContact CB-CD1 4Å; L480-L506 WeakPolarHBondContact O-CA 3.37Å; Y481-L506 HydrophobicContact CD1-CD1 3.97Å; Y481-L506 HydrophobicContact CE1-CD1 3.64Å; N504-L506 PolarHBondContact O-N 2.75Å; L506-V508 HydrophobicContact CD1-CG2 3.95Å; L506-V508 HydrophobicContact CD2-CG2 4.16Å; L506-V508 HydrophobicContact CG-CG2 3.92Å
507V97.5Very high96.7Very high47 Ų4747.8 Ų47.829%0.28526%0.26SS..EExtended strand (participates in β ladder)trans-114.2123.6167.4177.80000108L480 I562L480-V507 HydrophobicContact CB-CB 4.33Å; L480-V507 PolarHBondContact N-O 3.15Å; L480-V507 PolarHBondContact O-N 3.2Å; V507-I562 HydrophobicContact CB-CG2 4.39Å; V507-I562 HydrophobicContact CG2-CG2 3.84Å
508V98Very high96.7Very high67 Ų6747 Ų4741%0.40626%0.257SS..EExtended strand (participates in β ladder)trans-103.9125.8178.3-177.80000109E477 R479 L506E477-V508 HydrophobicContact CG-CG1 3.55Å; R479-V508 HydrophobicContact CG-CG2 4.49Å; L506-V508 HydrophobicContact CD1-CG2 3.95Å; L506-V508 HydrophobicContact CD2-CG2 4.16Å; L506-V508 HydrophobicContact CG-CG2 3.92Å
509I97.9Very high96.6Very high26 Ų2649.3 Ų49.313%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-109.6104.4173.1-57.7176.4000106.5L357 E477 A478 L480 D511 A512L357-I509 HydrophobicContact CB-CD1 3.9Å; L357-I509 HydrophobicContact CD1-CD1 4.31Å; L357-I509 VanDerWaalsContact O-CG2 3.32Å; L357-I509 WeakPolarHBondContact O-CG2 3.39Å; E477-I509 CarbonylContact C-O 3.49Å; E477-I509 WeakPolarHBondContact CA-O 3.48Å; A478-I509 HydrophobicContact CB-CB 4.23Å; A478-I509 PolarHBondContact N-O 2.88Å; A478-I509 PolarHBondContact O-N 3.39Å; L480-I509 HydrophobicContact CD1-CD1 3.76Å; L480-I509 HydrophobicContact CG-CD1 4.42Å; I509-D511 PolarHBondContact O-N 3.27Å; I509-A512 HydrophobicContact CG2-CB 4.25Å
510P97.1Very high96.5Very high92 Ų9253 Ų5360%0.59728%0.279SS*.EExtended strand (participates in β ladder)trans-76.4-20.9-165.929.4-36.2000114.5
511D95.6Very high96.4Very high90 Ų9053.3 Ų53.348%0.48128%0.282SS..EExtended strand (participates in β ladder)trans-135.249.9-167.9-160.836.7000112H475 I509H475-D511 IonicContact CE1-OD1 3.83Å; H475-D511 IonicContact CG-OD1 2.73Å; H475-D511 IonicContact ND1-OD1 3.31Å; H475-D511 PolarHBondContact ND1-OD1 2.95Å; H475-D511 IonicContact ND1-OD2 3.42Å; I509-D511 PolarHBondContact O-N 3.27Å
512A98.3Very high96.4Very high0 Ų059 Ų590%031%0.309CS..EExtended strand (participates in β ladder)trans-77.3161.3172.300000110.8L357 H475 F476 A478 I509L357-A512 HydrophobicContact CD2-CB 3.94Å; H475-A512 CarbonylContact C-O 3.52Å; H475-A512 WeakPolarHBondContact CA-O 3.45Å; F476-A512 VanDerWaalsContact CD1-C 3.45Å; F476-A512 HydrophobicContact CD1-CB 3.79Å; F476-A512 VanDerWaalsContact CD1-O 3.27Å; F476-A512 WeakPolarHBondContact CD1-O 3.49Å; F476-A512 HydrophobicContact CD2-CB 4.28Å; F476-A512 HydrophobicContact CE1-CB 3.35Å; F476-A512 HydrophobicContact CE2-CB 3.91Å; F476-A512 HydrophobicContact CG-CB 4.24Å; F476-A512 HydrophobicContact CZ-CB 3.44Å; F476-A512 VanDerWaalsContact CZ-CB 3.44Å; F476-A512 PolarHBondContact N-O 3.15Å; F476-A512 WeakPolarHBondContact O-CB 3.46Å; F476-A512 PolarHBondContact O-N 3.18Å; A478-A512 HydrophobicContact CB-CB 4.3Å; I509-A512 HydrophobicContact CG2-CB 4.25Å
513L98.5Very high96.4Very high5 Ų561 Ų613%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-119.9134.1-173.3-57.5-178.6000111.3A355 V356 P359 Y402 P473 L474A355-L513 CarbonylContact C-O 3.4Å; A355-L513 VanDerWaalsContact CA-O 3.25Å; A355-L513 WeakPolarHBondContact CA-O 3.4Å; V356-L513 HydrophobicContact CB-CB 4.5Å; V356-L513 PolarHBondContact N-O 3.2Å; V356-L513 PolarHBondContact O-N 3.05Å; P359-L513 HydrophobicContact CB-CD1 3.49Å; P359-L513 VanDerWaalsContact CB-CD1 3.49Å; P359-L513 HydrophobicContact CB-CG 4.16Å; P359-L513 HydrophobicContact CG-CD1 3.88Å; P359-L513 HydrophobicContact CG-CG 4.14Å; Y402-L513 HydrophobicContact CD1-CD1 3.38Å; Y402-L513 HydrophobicContact CD2-CD1 3.83Å; Y402-L513 HydrophobicContact CE1-CD1 3.75Å; Y402-L513 HydrophobicContact CE2-CD1 4.22Å; Y402-L513 HydrophobicContact CG-CD1 3.4Å; P473-L513 HydrophobicContact CB-CB 3.74Å; P473-L513 HydrophobicContact CB-CD1 4.34Å; P473-L513 HydrophobicContact CB-CD2 4.01Å; P473-L513 HydrophobicContact CB-CG 4.24Å; P473-L513 HydrophobicContact CG-CB 4.37Å; P473-L513 HydrophobicContact CG-CD1 4.08Å; P473-L513 HydrophobicContact CG-CD2 3.98Å; P473-L513 HydrophobicContact CG-CG 4.38Å; L474-L513 CarbonylContact O-C 3.53Å; L474-L513 WeakPolarHBondContact O-CA 3.2Å
514I98.3Very high96.5Very high0 Ų056.1 Ų56.10%030%0.298CS..EExtended strand (participates in β ladder)trans-136.1153.1177.7-168.9159.9000110.7V353 A355 P473 L474 F476 V518 F529 M546 F548V353-I514 HydrophobicContact CG2-CD1 4.19Å; A355-I514 HydrophobicContact CB-CB 4.13Å; A355-I514 HydrophobicContact CB-CD1 4.02Å; A355-I514 HydrophobicContact CB-CG1 3.92Å; P473-I514 CarbonylContact C-O 3.47Å; P473-I514 WeakPolarHBondContact CA-O 3.49Å; L474-I514 HydrophobicContact CB-CG2 3.98Å; L474-I514 PolarHBondContact N-O 2.88Å; L474-I514 PolarHBondContact O-N 3.35Å; F476-I514 HydrophobicContact CD1-CB 3.82Å; F476-I514 HydrophobicContact CD1-CG2 3.7Å; F476-I514 HydrophobicContact CE1-CB 3.72Å; F476-I514 HydrophobicContact CE1-CG2 4.15Å; F476-I514 HydrophobicContact CG-CG2 4.42Å; I514-V518 HydrophobicContact CB-CG2 4.44Å; I514-V518 HydrophobicContact CD1-CG1 4.15Å; I514-V518 HydrophobicContact CD1-CG2 3.8Å; I514-V518 HydrophobicContact CG1-CG1 4.44Å; I514-V518 HydrophobicContact CG1-CG2 3.83Å; I514-V518 HydrophobicContact CG2-CG2 3.74Å; I514-F529 HydrophobicContact CD1-CD1 4.26Å; I514-F529 HydrophobicContact CD1-CE1 3.43Å; I514-F529 VanDerWaalsContact CD1-CE1 3.43Å; I514-F529 HydrophobicContact CD1-CE2 4.26Å; I514-F529 HydrophobicContact CD1-CZ 3.44Å; I514-F529 VanDerWaalsContact CD1-CZ 3.44Å; I514-M546 HydrophobicContact CG2-CE 3.34Å; I514-F548 HydrophobicContact CD1-CE2 4.26Å; I514-F548 HydrophobicContact CD1-CZ 4.27Å
515E97.3Very high96.7Very high6 Ų654.1 Ų54.13%0.02829%0.289CS..  trans-59.6157.5177.260.5-178.7-138.800113.6V353 M354 H393 V395 S517 V518V353-E515 HydrophobicContact CB-CG 4.16Å; V353-E515 WeakPolarHBondContact CB-OE1 3.38Å; V353-E515 WeakPolarHBondContact CG1-OE1 3.26Å; M354-E515 WeakPolarHBondContact CB-OE2 3.35Å; M354-E515 PolarHBondContact N-OE2 2.83Å; M354-E515 PolarHBondContact O-N 2.73Å; M354-E515 VanDerWaalsContact O-N 3.1Å; H393-E515 IonicContact CD2-OE1 3.16Å; H393-E515 PolarHBondContact CD2-OE1 2.87Å; H393-E515 VanDerWaalsContact CD2-OE1 3.31Å; H393-E515 IonicContact CE1-OE1 3.89Å; H393-E515 IonicContact NE2-OE1 2.8Å; H393-E515 PolarHBondContact NE2-OE1 2.81Å; H393-E515 IonicContact NE2-OE2 3.46Å; V395-E515 HydrophobicContact CG1-CB 4.4Å; V395-E515 WeakPolarHBondContact CG1-OE2 3.29Å; E515-S517 WeakPolarHBondContact CG-OG 3.2Å; E515-S517 PolarHBondContact O-N 2.84Å; E515-S517 PolarHBondContact OE1-OG 3.16Å; E515-V518 WeakPolarHBondContact O-CG2 3.14Å
516Q96.4Very high96.8Very high67 Ų6754.9 Ų54.931%0.31330%0.295SS..G310 helixtrans-69.4-18.3-175.9-68.9-77.4-19.800114.4N472 P473 V518 K519N472-Q516 WeakPolarHBondContact O-CG 3.44Å; N472-Q516 PolarHBondContact O-NE2 3.01Å; P473-Q516 PolarHBondContact O-NE2 2.79Å; Q516-V518 PolarHBondContact O-N 2.94Å; Q516-V518 VanDerWaalsContact O-N 3.17Å; Q516-K519 VanDerWaalsContact O-CB 3.23Å; Q516-K519 WeakPolarHBondContact O-CB 3.32Å; Q516-K519 PolarHBondContact O-N 3.05Å
517S95.3Very high96.8Very high48 Ų4854 Ų5434%0.33629%0.289SS..G310 helixtrans-60.2-27.5-175.3700000112.6E515 K519E515-S517 WeakPolarHBondContact CG-OG 3.2Å; E515-S517 PolarHBondContact O-N 2.84Å; E515-S517 PolarHBondContact OE1-OG 3.16Å; S517-K519 VanDerWaalsContact C-N 3.28Å; S517-K519 PolarHBondContact O-N 3.21Å
518V95.5Very high96.8Very high1 Ų152.5 Ų52.51%0.00628%0.279CS..G310 helixtrans-864.4-179.8-530000113.3V353 L474 I514 E515 Q516 N520 A521 Y527 M546 F548V353-V518 HydrophobicContact CB-CG1 4.32Å; V353-V518 HydrophobicContact CG1-CG1 3.89Å; V353-V518 HydrophobicContact CG2-CG1 4.42Å; L474-V518 HydrophobicContact CD1-CG2 4.34Å; I514-V518 HydrophobicContact CB-CG2 4.44Å; I514-V518 HydrophobicContact CD1-CG1 4.15Å; I514-V518 HydrophobicContact CD1-CG2 3.8Å; I514-V518 HydrophobicContact CG1-CG1 4.44Å; I514-V518 HydrophobicContact CG1-CG2 3.83Å; I514-V518 HydrophobicContact CG2-CG2 3.74Å; E515-V518 WeakPolarHBondContact O-CG2 3.14Å; Q516-V518 PolarHBondContact O-N 2.94Å; Q516-V518 VanDerWaalsContact O-N 3.17Å; V518-N520 PolarHBondContact O-N 2.81Å; V518-A521 HydrophobicContact CB-CB 4.48Å; V518-A521 VanDerWaalsContact O-CB 3.23Å; V518-A521 WeakPolarHBondContact O-CB 3.39Å; V518-A521 PolarHBondContact O-N 2.89Å; V518-Y527 HydrophobicContact CG1-CD1 4.23Å; V518-Y527 HydrophobicContact CG1-CE1 3.87Å; V518-Y527 HydrophobicContact CG1-CE2 4.28Å; V518-M546 HydrophobicContact CG2-CE 4.25Å; V518-M546 HydrophobicContact CG2-SD 4.4Å; V518-F548 HydrophobicContact CG2-CZ 4.48Å
519K94Very high96.8Very high124 Ų12449.3 Ų49.354%0.53926%0.259SS..THydrogen-bonded Turntrans-56.9127.8179.2-166.8176.5-179.6173.50109.9L474 Q516 S517 A521L474-K519 HydrophobicContact CD1-CB 3.88Å; L474-K519 HydrophobicContact CD1-CG 4.27Å; Q516-K519 VanDerWaalsContact O-CB 3.23Å; Q516-K519 WeakPolarHBondContact O-CB 3.32Å; Q516-K519 PolarHBondContact O-N 3.05Å; S517-K519 VanDerWaalsContact C-N 3.28Å; S517-K519 PolarHBondContact O-N 3.21Å; K519-A521 VanDerWaalsContact C-N 3.27Å; K519-A521 PolarHBondContact O-N 3.26Å
520N92.4Very high96.7Very high144 Ų14448.3 Ų48.377%0.7725%0.254SS*.THydrogen-bonded Turntrans65.124.6-176.3-38-56.6000114.4V518 E522V518-N520 PolarHBondContact O-N 2.81Å; N520-E522 PolarHBondContact O-N 3.13Å
521A95.2Very high96.6Very high20 Ų2047.3 Ų47.317%0.16524%0.239CC..PPolyproline II helixtrans-53.5136.2170.900000110.9V518 K519 Y527 V537V518-A521 HydrophobicContact CB-CB 4.48Å; V518-A521 VanDerWaalsContact O-CB 3.23Å; V518-A521 WeakPolarHBondContact O-CB 3.39Å; V518-A521 PolarHBondContact O-N 2.89Å; K519-A521 VanDerWaalsContact C-N 3.27Å; K519-A521 PolarHBondContact O-N 3.26Å; A521-Y527 HydrophobicContact CB-CE2 3.95Å; A521-Y527 WeakPolarHBondContact CB-OH 3.36Å; A521-V537 HydrophobicContact CB-CG2 3.74Å
522E96.5Very high96.6Very high155 Ų15544.8 Ų44.872%0.72423%0.225SC*.PPolyproline II helixtrans-69.4148.1179.9-63.2-179175.300110.6N520 Y524 T525 V537N520-E522 PolarHBondContact O-N 3.13Å; E522-Y524 PolarHBondContact O-N 3.38Å; E522-T525 PolarHBondContact N-OG1 3.19Å; E522-T525 WeakPolarHBondContact O-CB 3.29Å; E522-T525 PolarHBondContact O-N 2.75Å; E522-T525 PolarHBondContact O-OG1 2.82Å; E522-V537 WeakPolarHBondContact O-CB 3.37Å
523V97.4Very high96.5Very high61 Ų6144.8 Ų44.837%0.3723%0.225SC..THydrogen-bonded Turntrans-53.1140.1173.8175.60000110T525 V537 P539V523-T525 PolarHBondContact O-N 2.67Å; V523-V537 HydrophobicContact CG2-CG1 4.49Å; V523-P539 HydrophobicContact CG1-CB 4.08Å; V523-P539 HydrophobicContact CG1-CG 3.7Å
524Y97.7Very high96.5Very high92 Ų9244.6 Ų44.636%0.36122%0.224SC..THydrogen-bonded Turntrans69.20.5-173.1-48.3-55.2000116.4R308 E522 A526 V537 P539R308-Y524 HydrophobicContact CG-CE1 4.26Å; E522-Y524 PolarHBondContact O-N 3.38Å; Y524-A526 PolarHBondContact O-N 3.05Å; Y524-V537 PolarHBondContact N-O 2.91Å; Y524-P539 HydrophobicContact CE1-CG 3.66Å; Y524-P539 WeakPolarHBondContact OH-CG 3.45Å
525T98Very high96.5Very high42 Ų4244.6 Ų44.626%0.25822%0.224SC..  trans-62.2124.7170.8-55.20000109.2E522 V523 Y527 S536 V537E522-T525 PolarHBondContact N-OG1 3.19Å; E522-T525 WeakPolarHBondContact O-CB 3.29Å; E522-T525 PolarHBondContact O-N 2.75Å; E522-T525 PolarHBondContact O-OG1 2.82Å; V523-T525 PolarHBondContact O-N 2.67Å; T525-Y527 HydrophobicContact CG2-CD2 4.23Å; T525-Y527 HydrophobicContact CG2-CE1 4.36Å; T525-Y527 HydrophobicContact CG2-CE2 3.47Å; T525-Y527 VanDerWaalsContact CG2-CE2 3.47Å; T525-S536 VanDerWaalsContact O-CA 3.28Å; T525-S536 WeakPolarHBondContact O-CA 3.29Å; T525-V537 PolarHBondContact O-N 2.85Å; T525-V537 VanDerWaalsContact O-N 3.07Å
526A98.2Very high96.6Very high20 Ų2044.3 Ų44.317%0.16522%0.222CC..EExtended strand (participates in β ladder)trans-98.9137.2-179.200000111.2L346 P351 Y524 F535L346-A526 HydrophobicContact CD2-CB 3.79Å; P351-A526 WeakPolarHBondContact CD-O 3.28Å; Y524-A526 PolarHBondContact O-N 3.05Å; A526-F535 CarbonylContact C-O 3.55Å; A526-F535 VanDerWaalsContact CA-O 3.26Å; A526-F535 WeakPolarHBondContact CA-O 3.34Å
527Y98.3Very high96.7Very high27 Ų2741.1 Ų41.111%0.10621%0.208CC..EExtended strand (participates in β ladder)trans-128.9149.6177.6-64.7-85.9000110.3P351 V353 V518 A521 T525 F534 F535 V537 F548P351-Y527 HydrophobicContact CB-CD1 4.43Å; P351-Y527 HydrophobicContact CG-CD1 3.63Å; P351-Y527 HydrophobicContact CG-CE1 3.79Å; V353-Y527 HydrophobicContact CB-CD1 4.45Å; V353-Y527 HydrophobicContact CG1-CD1 3.49Å; V353-Y527 VanDerWaalsContact CG1-CD1 3.49Å; V353-Y527 HydrophobicContact CG1-CE1 4Å; V353-Y527 HydrophobicContact CG1-CG 4.33Å; V353-Y527 HydrophobicContact CG2-CD1 4.1Å; V353-Y527 HydrophobicContact CG2-CG 4.12Å; V518-Y527 HydrophobicContact CG1-CD1 4.23Å; V518-Y527 HydrophobicContact CG1-CE1 3.87Å; V518-Y527 HydrophobicContact CG1-CE2 4.28Å; A521-Y527 HydrophobicContact CB-CE2 3.95Å; A521-Y527 WeakPolarHBondContact CB-OH 3.36Å; T525-Y527 HydrophobicContact CG2-CD2 4.23Å; T525-Y527 HydrophobicContact CG2-CE1 4.36Å; T525-Y527 HydrophobicContact CG2-CE2 3.47Å; T525-Y527 VanDerWaalsContact CG2-CE2 3.47Å; Y527-F534 CarbonylContact O-C 3.55Å; Y527-F534 WeakPolarHBondContact O-CA 3.42Å; Y527-F535 PolarHBondContact N-O 3.16Å; Y527-F535 PolarHBondContact O-N 3.04Å; Y527-V537 HydrophobicContact CE2-CG2 4.37Å; Y527-F548 AromaticContact CD2-CE1 3.82Å; Y527-F548 HydrophobicContact CD2-CE1 3.82Å; Y527-F548 HydrophobicContact CD2-CZ 4.44Å; Y527-F548 HydrophobicContact CE2-CE1 4.17Å; Y527-F548 HydrophobicContact CE2-CZ 4.48Å
528Q98Very high96.8Very high15 Ų1538.9 Ų38.97%0.0719%0.192CC..EExtended strand (participates in β ladder)trans-90.6109.9162.9-168.7-160.5-53.800108.6A350 P351 R352 V353 E530 F534 L554A350-Q528 HydrophobicContact CB-CB 4.45Å; P351-Q528 PolarHBondContact O-N 2.91Å; R352-Q528 WeakPolarHBondContact CA-O 3.37Å; R352-Q528 HydrophobicContact CG-CB 4.27Å; R352-Q528 VanDerWaalsContact CZ-OE1 3.31Å; R352-Q528 VanDerWaalsContact NH2-OE1 3.12Å; V353-Q528 PolarHBondContact N-O 3.13Å; Q528-E530 PolarHBondContact O-N 3.14Å; Q528-F534 HydrophobicContact CB-CD1 3.77Å; Q528-F534 HydrophobicContact CB-CE1 3.62Å; Q528-F534 HydrophobicContact CB-CZ 4.45Å; Q528-F534 HydrophobicContact CG-CD1 3.93Å; Q528-F534 HydrophobicContact CG-CE1 3.6Å; Q528-F534 HydrophobicContact CG-CZ 3.95Å; Q528-L554 HydrophobicContact CG-CD2 3.94Å
529F97.8Very high96.9Very high0 Ų041.2 Ų41.20%021%0.207CC..EExtended strand (participates in β ladder)trans-74.3114.8169.3-67.94.8000107.9V353 A355 F476 I514 R531 I532 G533 F535 F548V353-F529 HydrophobicContact CG2-CD1 3.47Å; V353-F529 VanDerWaalsContact CG2-CD1 3.47Å; V353-F529 HydrophobicContact CG2-CE1 3.76Å; V353-F529 WeakPolarHBondContact O-CA 3.48Å; A355-F529 HydrophobicContact CB-CB 4.18Å; A355-F529 HydrophobicContact CB-CD1 4.21Å; A355-F529 HydrophobicContact CB-CD2 3.49Å; A355-F529 VanDerWaalsContact CB-CD2 3.49Å; A355-F529 HydrophobicContact CB-CE1 4.5Å; A355-F529 HydrophobicContact CB-CE2 3.83Å; A355-F529 HydrophobicContact CB-CG 3.7Å; A355-F529 HydrophobicContact CB-CZ 4.33Å; F476-F529 AromaticContact CE2-CE2 3.92Å; F476-F529 HydrophobicContact CE2-CE2 3.92Å; F476-F529 HydrophobicContact CE2-CZ 4.42Å; F476-F529 AromaticContact CZ-CE2 3.7Å; F476-F529 HydrophobicContact CZ-CE2 3.7Å; F476-F529 HydrophobicContact CZ-CZ 4.34Å; I514-F529 HydrophobicContact CD1-CD1 4.26Å; I514-F529 HydrophobicContact CD1-CE1 3.43Å; I514-F529 VanDerWaalsContact CD1-CE1 3.43Å; I514-F529 HydrophobicContact CD1-CE2 4.26Å; I514-F529 HydrophobicContact CD1-CZ 3.44Å; I514-F529 VanDerWaalsContact CD1-CZ 3.44Å; F529-R531 PolarHBondContact O-N 2.86Å; F529-I532 HydrophobicContact CB-CB 4.09Å; F529-I532 HydrophobicContact CB-CD1 4.43Å; F529-I532 PolarHBondContact O-N 2.91Å; F529-G533 PolarHBondContact N-O 2.95Å; F529-G533 PolarHBondContact O-N 2.93Å; F529-F535 HydrophobicContact CB-CD2 3.82Å; F529-F535 HydrophobicContact CB-CE2 3.96Å; F529-F535 HydrophobicContact CD1-CB 4.19Å; F529-F535 HydrophobicContact CD1-CD2 4.11Å; F529-F535 HydrophobicContact CD1-CG 4.38Å; F529-F535 HydrophobicContact CD2-CB 4.09Å; F529-F535 AromaticContact CD2-CD1 3.97Å; F529-F535 HydrophobicContact CD2-CD1 3.97Å; F529-F535 AromaticContact CD2-CD2 3.21Å; F529-F535 HydrophobicContact CD2-CD2 3.21Å; F529-F535 HydrophobicContact CD2-CE1 4.17Å; F529-F535 AromaticContact CD2-CE2 3.48Å; F529-F535 HydrophobicContact CD2-CE2 3.48Å; F529-F535 VanDerWaalsContact CD2-CE2 3.48Å; F529-F535 AromaticContact CD2-CG 3.5Å; F529-F535 HydrophobicContact CD2-CG 3.5Å; F529-F535 VanDerWaalsContact CD2-CG 3.5Å; F529-F535 AromaticContact CD2-CZ 3.96Å; F529-F535 HydrophobicContact CD2-CZ 3.96Å; F529-F535 HydrophobicContact CE1-CB 3.85Å; F529-F535 HydrophobicContact CE1-CG 4.33Å; F529-F535 HydrophobicContact CE2-CB 3.73Å; F529-F535 AromaticContact CE2-CD1 3.67Å; F529-F535 HydrophobicContact CE2-CD1 3.67Å; F529-F535 AromaticContact CE2-CD2 3.71Å; F529-F535 HydrophobicContact CE2-CD2 3.71Å; F529-F535 HydrophobicContact CE2-CE1 4.15Å; F529-F535 HydrophobicContact CE2-CE2 4.21Å; F529-F535 AromaticContact CE2-CG 3.43Å; F529-F535 HydrophobicContact CE2-CG 3.43Å; F529-F535 VanDerWaalsContact CE2-CG 3.43Å; F529-F535 HydrophobicContact CE2-CZ 4.41Å; F529-F535 HydrophobicContact CG-CB 4.31Å; F529-F535 AromaticContact CG-CD2 3.44Å; F529-F535 HydrophobicContact CG-CD2 3.44Å; F529-F535 VanDerWaalsContact CG-CD2 3.44Å; F529-F535 AromaticContact CG-CE2 3.92Å; F529-F535 HydrophobicContact CG-CE2 3.92Å; F529-F535 AromaticContact CG-CG 3.99Å; F529-F535 HydrophobicContact CG-CG 3.99Å; F529-F535 HydrophobicContact CZ-CB 3.6Å; F529-F535 HydrophobicContact CZ-CD1 4.35Å; F529-F535 HydrophobicContact CZ-CD2 4.33Å; F529-F535 AromaticContact CZ-CG 3.87Å; F529-F535 HydrophobicContact CZ-CG 3.87Å; F529-F548 HydrophobicContact CE1-CD1 4.26Å; F529-F548 HydrophobicContact CE1-CE1 4.29Å; F529-F548 HydrophobicContact CE2-CB 4.42Å; F529-F548 HydrophobicContact CE2-CG 4.46Å; F529-F548 HydrophobicContact CZ-CB 4.16Å; F529-F548 AromaticContact CZ-CD1 3.67Å; F529-F548 HydrophobicContact CZ-CD1 3.67Å; F529-F548 HydrophobicContact CZ-CD2 4.22Å; F529-F548 HydrophobicContact CZ-CE1 4.04Å; F529-F548 AromaticContact CZ-CG 3.76Å; F529-F548 HydrophobicContact CZ-CG 3.76Å; F529-F548 HydrophobicContact CZ-CZ 4.45Å
530E95.6Very high97.1Very high6 Ų638.6 Ų38.63%0.02820%0.199CC..THydrogen-bonded Turntrans-49.9125.1-171.8-83.9-78.9-148.500112.3R352 V353 M354 R428 Y429 H468 Q528 I532R352-E530 HydrophobicContact CB-CG 4.29Å; V353-E530 PolarHBondContact O-N 3.47Å; M354-E530 HydrophobicContact CG-CG 4.42Å; R428-E530 IonicContact CZ-OE2 3.7Å; R428-E530 IonicContact NH1-OE1 3.63Å; R428-E530 PolarHBondContact NH1-OE1 2.91Å; R428-E530 IonicContact NH1-OE2 3.75Å; R428-E530 PolarHBondContact NH1-OE2 2.84Å; Y429-E530 PolarHBondContact OH-OE1 2.89Å; H468-E530 HydrophobicContact CB-CB 3.84Å; H468-E530 PolarHBondContact CE1-O 3.5Å; H468-E530 PolarHBondContact ND1-O 2.92Å; Q528-E530 PolarHBondContact O-N 3.14Å; E530-I532 PolarHBondContact O-N 2.81Å; E530-I532 VanDerWaalsContact O-N 3.12Å
531R94.4Very high97.3Very high71 Ų7133.4 Ų33.427%0.26817%0.172SC..THydrogen-bonded Turntrans62.22.8-177.1-54.6171.146.7-124.31.3117.2D407 R418 H468 F529D407-R531 IonicContact OD1-CZ 2.89Å; D407-R531 IonicContact OD1-NH1 2.97Å; D407-R531 PolarHBondContact OD1-NH1 2.95Å; D407-R531 IonicContact OD1-NH2 3.18Å; D407-R531 PolarHBondContact OD1-NH2 3.28Å; D407-R531 IonicContact OD2-CZ 3.84Å; D407-R531 IonicContact OD2-NH1 2.8Å; D407-R531 PolarHBondContact OD2-NH1 2.74Å; D407-R531 IonicContact OD2-NH2 2.71Å; R418-R531 VanDerWaalsContact NH1-NH2 3.17Å; H468-R531 PolarHBondContact CE1-NH1 3.44Å; H468-R531 PolarHBondContact ND1-NH1 2.79Å; F529-R531 PolarHBondContact O-N 2.86Å
532I95.3Very high97.3Very high36 Ų3636.6 Ų36.619%0.18519%0.187CC..THydrogen-bonded Turntrans-107.8-67.9-178.3-56.2176.1000111A355 L357 E404 F529 E530 F535 L554A355-I532 WeakPolarHBondContact O-CD1 3.17Å; L357-I532 HydrophobicContact CD1-CG2 3.88Å; L357-I532 HydrophobicContact CG-CD1 4.12Å; E404-I532 VanDerWaalsContact OE1-CD1 3.29Å; E404-I532 WeakPolarHBondContact OE1-CD1 3.45Å; F529-I532 HydrophobicContact CB-CB 4.09Å; F529-I532 HydrophobicContact CB-CD1 4.43Å; F529-I532 PolarHBondContact O-N 2.91Å; E530-I532 PolarHBondContact O-N 2.81Å; E530-I532 VanDerWaalsContact O-N 3.12Å; I532-F535 HydrophobicContact CB-CE2 4.35Å; I532-F535 HydrophobicContact CG2-CE2 3.71Å; I532-F535 HydrophobicContact CG2-CZ 3.82Å; I532-L554 PolarHBondContact O-N 2.87Å
533G96.6Very high96.9Very high0 Ų035.2 Ų35.20%019%0.194CC..EExtended strand (participates in β ladder)trans180-178.5-168.800000112.1F529F529-G533 PolarHBondContact N-O 2.95Å; F529-G533 PolarHBondContact O-N 2.93Å
534F98.4Very high96.6Very high1 Ų141.6 Ų41.60%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-97.7135.7168-61.8-88.1000109.1R343 L346 N347 A350 Y527 Q528 T551 V552 L554R343-F534 HydrophobicContact CG-CE2 3.86Å; L346-F534 VanDerWaalsContact C-CE1 3.42Å; L346-F534 HydrophobicContact CB-CB 4.47Å; L346-F534 HydrophobicContact CB-CD1 3.44Å; L346-F534 VanDerWaalsContact CB-CD1 3.44Å; L346-F534 HydrophobicContact CB-CD2 4.48Å; L346-F534 HydrophobicContact CB-CE1 3.62Å; L346-F534 HydrophobicContact CB-CG 3.88Å; L346-F534 HydrophobicContact CB-CZ 4.24Å; L346-F534 HydrophobicContact CD1-CB 3.68Å; L346-F534 HydrophobicContact CD1-CD1 4.21Å; L346-F534 HydrophobicContact CD1-CG 3.98Å; L346-F534 HydrophobicContact CG-CD1 4.4Å; L346-F534 WeakPolarHBondContact O-CE1 3.4Å; N347-F534 HydrophobicContact CB-CZ 4.18Å; A350-F534 HydrophobicContact CB-CD1 3.85Å; A350-F534 HydrophobicContact CB-CE1 4.05Å; Y527-F534 CarbonylContact O-C 3.55Å; Y527-F534 WeakPolarHBondContact O-CA 3.42Å; Q528-F534 HydrophobicContact CB-CD1 3.77Å; Q528-F534 HydrophobicContact CB-CE1 3.62Å; Q528-F534 HydrophobicContact CB-CZ 4.45Å; Q528-F534 HydrophobicContact CG-CD1 3.93Å; Q528-F534 HydrophobicContact CG-CE1 3.6Å; Q528-F534 HydrophobicContact CG-CZ 3.95Å; F534-T551 WeakPolarHBondContact O-CB 3.27Å; F534-T551 PolarHBondContact O-N 2.73Å; F534-V552 HydrophobicContact CB-CG2 4.14Å; F534-V552 HydrophobicContact CD2-CG2 3.84Å; F534-V552 HydrophobicContact CG-CG2 4.35Å; F534-V552 PolarHBondContact N-O 3.3Å; F534-V552 PolarHBondContact O-N 3.32Å; F534-L554 HydrophobicContact CD2-CD2 4.36Å; F534-L554 HydrophobicContact CE2-CD2 3.72Å; F534-L554 HydrophobicContact CZ-CD2 4.11Å
535F98.6Very high96.4Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-134.5150-175.2-70.2-105.9000110L357 L480 A526 Y527 F529 I532 F548 N549 R550L357-F535 HydrophobicContact CD1-CZ 4.23Å; L480-F535 HydrophobicContact CD2-CE1 3.75Å; L480-F535 HydrophobicContact CD2-CZ 4.04Å; A526-F535 CarbonylContact C-O 3.55Å; A526-F535 VanDerWaalsContact CA-O 3.26Å; A526-F535 WeakPolarHBondContact CA-O 3.34Å; Y527-F535 PolarHBondContact N-O 3.16Å; Y527-F535 PolarHBondContact O-N 3.04Å; F529-F535 HydrophobicContact CB-CD2 3.82Å; F529-F535 HydrophobicContact CB-CE2 3.96Å; F529-F535 HydrophobicContact CD1-CB 4.19Å; F529-F535 HydrophobicContact CD1-CD2 4.11Å; F529-F535 HydrophobicContact CD1-CG 4.38Å; F529-F535 HydrophobicContact CD2-CB 4.09Å; F529-F535 AromaticContact CD2-CD1 3.97Å; F529-F535 HydrophobicContact CD2-CD1 3.97Å; F529-F535 AromaticContact CD2-CD2 3.21Å; F529-F535 HydrophobicContact CD2-CD2 3.21Å; F529-F535 HydrophobicContact CD2-CE1 4.17Å; F529-F535 AromaticContact CD2-CE2 3.48Å; F529-F535 HydrophobicContact CD2-CE2 3.48Å; F529-F535 VanDerWaalsContact CD2-CE2 3.48Å; F529-F535 AromaticContact CD2-CG 3.5Å; F529-F535 HydrophobicContact CD2-CG 3.5Å; F529-F535 VanDerWaalsContact CD2-CG 3.5Å; F529-F535 AromaticContact CD2-CZ 3.96Å; F529-F535 HydrophobicContact CD2-CZ 3.96Å; F529-F535 HydrophobicContact CE1-CB 3.85Å; F529-F535 HydrophobicContact CE1-CG 4.33Å; F529-F535 HydrophobicContact CE2-CB 3.73Å; F529-F535 AromaticContact CE2-CD1 3.67Å; F529-F535 HydrophobicContact CE2-CD1 3.67Å; F529-F535 AromaticContact CE2-CD2 3.71Å; F529-F535 HydrophobicContact CE2-CD2 3.71Å; F529-F535 HydrophobicContact CE2-CE1 4.15Å; F529-F535 HydrophobicContact CE2-CE2 4.21Å; F529-F535 AromaticContact CE2-CG 3.43Å; F529-F535 HydrophobicContact CE2-CG 3.43Å; F529-F535 VanDerWaalsContact CE2-CG 3.43Å; F529-F535 HydrophobicContact CE2-CZ 4.41Å; F529-F535 HydrophobicContact CG-CB 4.31Å; F529-F535 AromaticContact CG-CD2 3.44Å; F529-F535 HydrophobicContact CG-CD2 3.44Å; F529-F535 VanDerWaalsContact CG-CD2 3.44Å; F529-F535 AromaticContact CG-CE2 3.92Å; F529-F535 HydrophobicContact CG-CE2 3.92Å; F529-F535 AromaticContact CG-CG 3.99Å; F529-F535 HydrophobicContact CG-CG 3.99Å; F529-F535 HydrophobicContact CZ-CB 3.6Å; F529-F535 HydrophobicContact CZ-CD1 4.35Å; F529-F535 HydrophobicContact CZ-CD2 4.33Å; F529-F535 AromaticContact CZ-CG 3.87Å; F529-F535 HydrophobicContact CZ-CG 3.87Å; I532-F535 HydrophobicContact CB-CE2 4.35Å; I532-F535 HydrophobicContact CG2-CE2 3.71Å; I532-F535 HydrophobicContact CG2-CZ 3.82Å; F535-F548 HydrophobicContact CB-CB 4.34Å; F535-F548 HydrophobicContact CB-CD1 4.14Å; F535-F548 HydrophobicContact CD1-CB 4.23Å; F535-N549 CarbonylContact C-O 3.56Å; F535-N549 WeakPolarHBondContact CA-O 3.19Å; F535-R550 VanDerWaalsContact CD1-CA 3.48Å; F535-R550 HydrophobicContact CD1-CB 3.85Å; F535-R550 HydrophobicContact CD1-CG 4.35Å; F535-R550 HydrophobicContact CE1-CB 3.45Å; F535-R550 VanDerWaalsContact CE1-CB 3.45Å; F535-R550 HydrophobicContact CE1-CG 3.87Å; F535-R550 HydrophobicContact CE2-CG 4.03Å; F535-R550 HydrophobicContact CZ-CB 3.82Å; F535-R550 HydrophobicContact CZ-CG 3.67Å
536S98.5Very high96.4Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-126.9145.4174.663.90000111.5R310 G311 T525 D538 F548 N549R310-S536 PolarHBondContact O-OG 2.9Å; G311-S536 WeakPolarHBondContact CA-OG 3.39Å; G311-S536 PolarHBondContact N-OG 3.48Å; T525-S536 VanDerWaalsContact O-CA 3.28Å; T525-S536 WeakPolarHBondContact O-CA 3.29Å; S536-D538 PolarHBondContact O-N 2.78Å; S536-F548 WeakPolarHBondContact O-CA 3.4Å; S536-N549 PolarHBondContact N-O 3.38Å; S536-N549 PolarHBondContact O-N 3.11Å
537V98.5Very high96.4Very high1 Ų138.6 Ų38.61%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-61.3121.8172.5-175.50000109.5A521 E522 V523 Y524 T525 Y527 T541 F548A521-V537 HydrophobicContact CB-CG2 3.74Å; E522-V537 WeakPolarHBondContact O-CB 3.37Å; V523-V537 HydrophobicContact CG2-CG1 4.49Å; Y524-V537 PolarHBondContact N-O 2.91Å; T525-V537 PolarHBondContact O-N 2.85Å; T525-V537 VanDerWaalsContact O-N 3.07Å; Y527-V537 HydrophobicContact CE2-CG2 4.37Å; V537-T541 HydrophobicContact CG1-CG2 4.01Å; V537-T541 WeakPolarHBondContact CG1-OG1 3.39Å; V537-F548 HydrophobicContact CB-CE1 4.36Å; V537-F548 HydrophobicContact CG2-CD1 4.21Å; V537-F548 HydrophobicContact CG2-CE1 3.44Å; V537-F548 VanDerWaalsContact CG2-CE1 3.44Å; V537-F548 HydrophobicContact CG2-CZ 3.71Å
538D98.5Very high96.4Very high0 Ų037.3 Ų37.30%020%0.195CC..  trans-80.3147.4178-175.1-96.9000111R309 R479 S536 D540 T541 V547 N549R309-D538 WeakPolarHBondContact CG-OD2 3.29Å; R309-D538 IonicContact CZ-OD1 3.41Å; R309-D538 IonicContact CZ-OD2 3.53Å; R309-D538 IonicContact NE-OD1 3.32Å; R309-D538 IonicContact NE-OD2 2.7Å; R309-D538 PolarHBondContact NE-OD2 3.15Å; R309-D538 IonicContact NH2-OD1 3.42Å; R309-D538 PolarHBondContact NH2-OD1 3.49Å; R309-D538 IonicContact NH2-OD2 2.68Å; R309-D538 PolarHBondContact NH2-OD2 3.34Å; R479-D538 IonicContact NH1-OD1 2.83Å; R479-D538 PolarHBondContact NH1-OD1 3.26Å; R479-D538 IonicContact NH1-OD2 3.56Å; S536-D538 PolarHBondContact O-N 2.78Å; D538-D540 PolarHBondContact O-N 3.02Å; D538-D540 VanDerWaalsContact O-N 3.14Å; D538-D540 WeakPolarHBondContact OD1-CB 3.14Å; D538-D540 PolarHBondContact OD1-N 3.1Å; D538-T541 WeakPolarHBondContact O-CB 3.21Å; D538-T541 PolarHBondContact O-N 3.27Å; D538-T541 PolarHBondContact O-OG1 2.82Å; D538-V547 HydrophobicContact CB-CB 3.96Å; D538-V547 HydrophobicContact CB-CG1 3.71Å; D538-V547 PolarHBondContact N-O 3.27Å; D538-N549 PolarHBondContact OD2-ND2 2.76Å
539P97.5Very high96.4Very high50 Ų5036.6 Ų36.633%0.32519%0.192SC..THydrogen-bonded Turntrans-56.7-20.8174.7-27.335.4000116.2R309 V523 Y524 T541R309-P539 HydrophobicContact CG-CG 4.48Å; V523-P539 HydrophobicContact CG1-CB 4.08Å; V523-P539 HydrophobicContact CG1-CG 3.7Å; Y524-P539 HydrophobicContact CE1-CG 3.66Å; Y524-P539 WeakPolarHBondContact OH-CG 3.45Å; P539-T541 PolarHBondContact O-N 2.82Å
540D97.1Very high96.5Very high70 Ų7038.8 Ų38.837%0.37420%0.2SC..THydrogen-bonded Turntrans-69.5-9.9174.3-65.3-11.7000112.7R309 R479 D538 N542 V547R309-D540 IonicContact CZ-OD1 2.8Å; R309-D540 IonicContact NH2-OD1 3.55Å; R309-D540 PolarHBondContact NH2-OD1 3.43Å; R309-D540 IonicContact NH2-OD2 2.75Å; R309-D540 PolarHBondContact NH2-OD2 2.86Å; R479-D540 IonicContact CZ-OD2 3.46Å; R479-D540 VanDerWaalsContact CZ-OD2 3.25Å; R479-D540 IonicContact NH1-OD2 3.39Å; R479-D540 PolarHBondContact NH1-OD2 3.24Å; R479-D540 IonicContact NH2-OD2 3.39Å; R479-D540 PolarHBondContact NH2-OD2 3.01Å; D538-D540 PolarHBondContact O-N 3.02Å; D538-D540 VanDerWaalsContact O-N 3.14Å; D538-D540 WeakPolarHBondContact OD1-CB 3.14Å; D538-D540 PolarHBondContact OD1-N 3.1Å; D540-N542 PolarHBondContact O-N 2.91Å; D540-N542 PolarHBondContact O-ND2 3.46Å; D540-V547 HydrophobicContact CB-CG2 4.24Å
541T97.4Very high96.6Very high34 Ų3438.5 Ų38.521%0.20920%0.198CC..  trans-61.1130.7177.4-65.60000111.4V537 D538 P539 H545 M546 V547V537-T541 HydrophobicContact CG1-CG2 4.01Å; V537-T541 WeakPolarHBondContact CG1-OG1 3.39Å; D538-T541 WeakPolarHBondContact O-CB 3.21Å; D538-T541 PolarHBondContact O-N 3.27Å; D538-T541 PolarHBondContact O-OG1 2.82Å; P539-T541 PolarHBondContact O-N 2.82Å; T541-H545 CarbonylContact C-O 3.51Å; T541-H545 VanDerWaalsContact CA-O 3.3Å; T541-H545 WeakPolarHBondContact CA-O 3.31Å; T541-M546 HydrophobicContact CG2-CG 4.25Å; T541-V547 PolarHBondContact OG1-N 2.83Å; T541-V547 PolarHBondContact OG1-O 3.41Å
542N94.8Very high96.7Very high88 Ų8835.2 Ų35.247%0.47119%0.187SC..  trans-141-178174.463.372.1000110.6D540 K544 H545D540-N542 PolarHBondContact O-N 2.91Å; D540-N542 PolarHBondContact O-ND2 3.46Å; N542-K544 PolarHBondContact O-N 2.88Å; N542-K544 PolarHBondContact OD1-N 3.15Å; N542-H545 PolarHBondContact N-O 2.96Å; N542-H545 PolarHBondContact O-N 2.81Å; N542-H545 PolarHBondContact OD1-N 3.43Å; N542-H545 VanDerWaalsContact OD1-N 3.12Å
543S89.2Confident96.6Very high126 Ų12635.2 Ų35.288%0.88119%0.192SC*.SBendtrans-61.9-15.7-174.5590000115.5
544K90.2Very high96.3Very high195 Ų19537.6 Ų37.685%0.84820%0.204SC*.SBendtrans-114.1-20.6-180-62.5-177.8-178.2178.20113.6N542N542-K544 PolarHBondContact O-N 2.88Å; N542-K544 PolarHBondContact OD1-N 3.15Å
545H94.1Very high95.5Very high67 Ų6745.9 Ų45.931%0.3124%0.24SC..  trans-134.2109.4-173.4-166.551.9000109.3E477 T541 N542 V547E477-H545 IonicContact OE2-CE1 2.67Å; E477-H545 PolarHBondContact OE2-CE1 2.7Å; E477-H545 VanDerWaalsContact OE2-CE1 3.32Å; E477-H545 IonicContact OE2-NE2 3.81Å; E477-H545 PolarHBondContact OE2-NE2 2.89Å; T541-H545 CarbonylContact C-O 3.51Å; T541-H545 VanDerWaalsContact CA-O 3.3Å; T541-H545 WeakPolarHBondContact CA-O 3.31Å; N542-H545 PolarHBondContact N-O 2.96Å; N542-H545 PolarHBondContact O-N 2.81Å; N542-H545 PolarHBondContact OD1-N 3.43Å; N542-H545 VanDerWaalsContact OD1-N 3.12Å; H545-V547 WeakPolarHBondContact CD2-CG2 3.44Å
546M97Very high93.7Very high24 Ų2449.1 Ų49.112%0.11827%0.267CS..  trans-97.3132177.1-171.2165.76400109.2L474 F476 E477 I514 V518 T541 F548L474-M546 HydrophobicContact CB-CE 3.91Å; L474-M546 HydrophobicContact CD1-CE 4.15Å; F476-M546 CarbonylContact C-O 3.51Å; F476-M546 VanDerWaalsContact CA-O 3.25Å; F476-M546 WeakPolarHBondContact CA-O 3.32Å; F476-M546 HydrophobicContact CB-CB 3.98Å; F476-M546 HydrophobicContact CB-CE 3.73Å; F476-M546 HydrophobicContact CB-CG 4.2Å; F476-M546 WeakPolarHBondContact CB-O 3.35Å; F476-M546 HydrophobicContact CG-CE 4.48Å; E477-M546 PolarHBondContact N-O 3.35Å; I514-M546 HydrophobicContact CG2-CE 3.34Å; V518-M546 HydrophobicContact CG2-CE 4.25Å; V518-M546 HydrophobicContact CG2-SD 4.4Å; T541-M546 HydrophobicContact CG2-CG 4.25Å; M546-F548 HydrophobicContact CE-CE2 3.93Å; M546-F548 HydrophobicContact CG-CD2 4.13Å; M546-F548 HydrophobicContact CG-CE2 3.64Å; M546-F548 HydrophobicContact SD-CE2 3.71Å; M546-F548 HydrophobicContact SD-CZ 4.36Å
547V98.4Very high91.7Very high0 Ų053.6 Ų53.60%029%0.291CS..EExtended strand (participates in β ladder)trans-129130.3-174.1-174.40000109.7E477 R479 D538 D540 T541 H545E477-V547 HydrophobicContact CB-CG1 4.48Å; E477-V547 HydrophobicContact CB-CG2 4.31Å; E477-V547 WeakPolarHBondContact O-CA 3.27Å; R479-V547 HydrophobicContact CG-CG1 4.26Å; D538-V547 HydrophobicContact CB-CB 3.96Å; D538-V547 HydrophobicContact CB-CG1 3.71Å; D538-V547 PolarHBondContact N-O 3.27Å; D540-V547 HydrophobicContact CB-CG2 4.24Å; T541-V547 PolarHBondContact OG1-N 2.83Å; T541-V547 PolarHBondContact OG1-O 3.41Å; H545-V547 WeakPolarHBondContact CD2-CG2 3.44Å
548F98.7Very high89.4Confident0 Ų059.3 Ų59.30%033%0.328CS..EExtended strand (participates in β ladder)trans-122.4128.8175.6-78.5-90.2000111.5F476 E477 R479 I514 V518 Y527 F529 F535 S536 V537 M546F476-F548 HydrophobicContact CB-CD2 4.29Å; F476-F548 HydrophobicContact CD2-CB 3.95Å; F476-F548 AromaticContact CD2-CD2 3.53Å; F476-F548 HydrophobicContact CD2-CD2 3.53Å; F476-F548 HydrophobicContact CD2-CE2 4.48Å; F476-F548 HydrophobicContact CD2-CG 4.17Å; F476-F548 HydrophobicContact CE2-CB 3.88Å; F476-F548 HydrophobicContact CE2-CD2 4.01Å; F476-F548 HydrophobicContact CE2-CG 4.29Å; F476-F548 HydrophobicContact CG-CD2 4.03Å; E477-F548 PolarHBondContact O-N 3.23Å; R479-F548 PolarHBondContact N-O 2.87Å; I514-F548 HydrophobicContact CD1-CE2 4.26Å; I514-F548 HydrophobicContact CD1-CZ 4.27Å; V518-F548 HydrophobicContact CG2-CZ 4.48Å; Y527-F548 AromaticContact CD2-CE1 3.82Å; Y527-F548 HydrophobicContact CD2-CE1 3.82Å; Y527-F548 HydrophobicContact CD2-CZ 4.44Å; Y527-F548 HydrophobicContact CE2-CE1 4.17Å; Y527-F548 HydrophobicContact CE2-CZ 4.48Å; F529-F548 HydrophobicContact CE1-CD1 4.26Å; F529-F548 HydrophobicContact CE1-CE1 4.29Å; F529-F548 HydrophobicContact CE2-CB 4.42Å; F529-F548 HydrophobicContact CE2-CG 4.46Å; F529-F548 HydrophobicContact CZ-CB 4.16Å; F529-F548 AromaticContact CZ-CD1 3.67Å; F529-F548 HydrophobicContact CZ-CD1 3.67Å; F529-F548 HydrophobicContact CZ-CD2 4.22Å; F529-F548 HydrophobicContact CZ-CE1 4.04Å; F529-F548 AromaticContact CZ-CG 3.76Å; F529-F548 HydrophobicContact CZ-CG 3.76Å; F529-F548 HydrophobicContact CZ-CZ 4.45Å; F535-F548 HydrophobicContact CB-CB 4.34Å; F535-F548 HydrophobicContact CB-CD1 4.14Å; F535-F548 HydrophobicContact CD1-CB 4.23Å; S536-F548 WeakPolarHBondContact O-CA 3.4Å; V537-F548 HydrophobicContact CB-CE1 4.36Å; V537-F548 HydrophobicContact CG2-CD1 4.21Å; V537-F548 HydrophobicContact CG2-CE1 3.44Å; V537-F548 VanDerWaalsContact CG2-CE1 3.44Å; V537-F548 HydrophobicContact CG2-CZ 3.71Å; M546-F548 HydrophobicContact CE-CE2 3.93Å; M546-F548 HydrophobicContact CG-CD2 4.13Å; M546-F548 HydrophobicContact CG-CE2 3.64Å; M546-F548 HydrophobicContact SD-CE2 3.71Å; M546-F548 HydrophobicContact SD-CZ 4.36Å
549N98.6Very high86.6Confident0 Ų062.6 Ų62.60%036%0.362CS..EExtended strand (participates in β ladder)trans-90.4129.2172-71.7-17000109.7R309 R479 Y481 F535 S536 D538 T551R309-N549 PolarHBondContact O-ND2 3.36Å; R479-N549 WeakPolarHBondContact CD-OD1 3.49Å; Y481-N549 HydrophobicContact CE2-CB 3.74Å; Y481-N549 PolarHBondContact OH-OD1 2.72Å; F535-N549 CarbonylContact C-O 3.56Å; F535-N549 WeakPolarHBondContact CA-O 3.19Å; S536-N549 PolarHBondContact N-O 3.38Å; S536-N549 PolarHBondContact O-N 3.11Å; D538-N549 PolarHBondContact OD2-ND2 2.76Å; N549-T551 PolarHBondContact O-N 3.44Å
550R98.2Very high84Confident45 Ų4567.8 Ų67.817%0.1738%0.379CS..EExtended strand (participates in β ladder)trans-69.3107.1167.5-169.9176.566.1-171.26.5109.2R479 L480 Y481 F535R479-R550 PolarHBondContact O-N 3.48Å; L480-R550 HydrophobicContact CD2-CB 3.88Å; Y481-R550 PolarHBondContact O-NH2 2.97Å; F535-R550 VanDerWaalsContact CD1-CA 3.48Å; F535-R550 HydrophobicContact CD1-CB 3.85Å; F535-R550 HydrophobicContact CD1-CG 4.35Å; F535-R550 HydrophobicContact CE1-CB 3.45Å; F535-R550 VanDerWaalsContact CE1-CB 3.45Å; F535-R550 HydrophobicContact CE1-CG 3.87Å; F535-R550 HydrophobicContact CE2-CG 4.03Å; F535-R550 HydrophobicContact CZ-CB 3.82Å; F535-R550 HydrophobicContact CZ-CG 3.67Å
551T98Very high81.5Confident0 Ų068.9 Ų68.90%039%0.389CS..EExtended strand (participates in β ladder)trans-64.3-63.7175.5-49.50000109.9R310 G311 F312 V342 L346 F534 N549R310-T551 PolarHBondContact NE-O 2.99Å; R310-T551 VanDerWaalsContact NE-O 3.14Å; R310-T551 PolarHBondContact NH2-O 2.79Å; R310-T551 VanDerWaalsContact O-CA 3.29Å; R310-T551 WeakPolarHBondContact O-CA 3.43Å; R310-T551 WeakPolarHBondContact O-CB 3.48Å; R310-T551 PolarHBondContact O-OG1 3.06Å; G311-T551 VanDerWaalsContact O-CG2 3.3Å; G311-T551 WeakPolarHBondContact O-CG2 3.48Å; F312-T551 HydrophobicContact CD1-CG2 3.51Å; F312-T551 HydrophobicContact CE1-CG2 3.75Å; F312-T551 WeakPolarHBondContact CE1-O 3.37Å; V342-T551 HydrophobicContact CG1-CG2 3.78Å; L346-T551 HydrophobicContact CD1-CG2 3.91Å; F534-T551 WeakPolarHBondContact O-CB 3.27Å; F534-T551 PolarHBondContact O-N 2.73Å; N549-T551 PolarHBondContact O-N 3.44Å
552V96.8Very high79.1Confident3 Ų371.4 Ų71.42%0.01840%0.4CS..EExtended strand (participates in β ladder)trans-148.7149.5176.9-66.60000111.1F312 D339 V342 R343 F534F312-V552 HydrophobicContact CE1-CG1 4.18Å; F312-V552 HydrophobicContact CZ-CG1 4.16Å; D339-V552 HydrophobicContact CB-CG1 3.86Å; V342-V552 HydrophobicContact CB-CG1 4.13Å; V342-V552 HydrophobicContact CG1-CG1 3.87Å; V342-V552 HydrophobicContact CG1-CG2 3.94Å; R343-V552 HydrophobicContact CB-CG2 4.24Å; F534-V552 HydrophobicContact CB-CG2 4.14Å; F534-V552 HydrophobicContact CD2-CG2 3.84Å; F534-V552 HydrophobicContact CG-CG2 4.35Å; F534-V552 PolarHBondContact N-O 3.3Å; F534-V552 PolarHBondContact O-N 3.32Å
553A94.2Very high78.3Confident36 Ų3670.6 Ų70.630%0.29840%0.397SS..EExtended strand (participates in β ladder)trans-71.7153.3172.900000111.9R343 K555R343-A553 PolarHBondContact NE-O 2.94Å; R343-A553 PolarHBondContact NH2-O 2.82Å; A553-K555 PolarHBondContact O-N 3.05Å
554L90.1Very high77.7Confident50 Ų5067.6 Ų67.626%0.26237%0.371SS..SBendtrans-60.5-30.7-180-84.4177.1000114R343 Q528 I532 F534R343-L554 VanDerWaalsContact CD-O 3.3Å; R343-L554 WeakPolarHBondContact CD-O 3.29Å; R343-L554 PolarHBondContact NE-O 3.32Å; Q528-L554 HydrophobicContact CG-CD2 3.94Å; I532-L554 PolarHBondContact O-N 2.87Å; F534-L554 HydrophobicContact CD2-CD2 4.36Å; F534-L554 HydrophobicContact CE2-CD2 3.72Å; F534-L554 HydrophobicContact CZ-CD2 4.11Å
555K81Confident77Confident175 Ų17560.6 Ų60.676%0.76135%0.345SS*.SBendtrans-127.7145.7175.8-67.1-175.3179.5-1780109.5A553 D557A553-K555 PolarHBondContact O-N 3.05Å; K555-D557 PolarHBondContact O-N 3.02Å
556A61.3Low76Confident67 Ų6760.2 Ų60.255%0.55435%0.347SS*.  trans-70.3117.6165.700000107.7P558A556-P558 WeakPolarHBondContact O-CD 3.27Å
557D55.4Low74.7Confident95 Ų9562.4 Ų62.451%0.50836%0.361SS..  trans-11583.1174.9-149.6-14.1000108K555 G559 K560K555-D557 PolarHBondContact O-N 3.02Å; D557-G559 PolarHBondContact O-N 2.84Å; D557-K560 HydrophobicContact CB-CB 4.23Å; D557-K560 PolarHBondContact O-N 3.17Å; D557-K560 VanDerWaalsContact OD2-CD 3.27Å; D557-K560 WeakPolarHBondContact OD2-CD 3.42Å
558P50.3Low73.1Confident120 Ų12066.6 Ų66.678%0.77939%0.385SS*.THydrogen-bonded Turntrans-62.4-10.9-170.121.2-31000114.5A556A556-P558 WeakPolarHBondContact O-CD 3.27Å
559G41Very low71.3Confident70 Ų7071.4 Ų71.472%0.72241%0.413SS*.THydrogen-bonded Turntrans-110.2-6.6179.800000115.8D557D557-G559 PolarHBondContact O-N 2.84Å
560K41Very low69.2Low158 Ų15876.8 Ų76.869%0.68744%0.444SS*.  trans-104.8100.2176.3-69.7-164.7-173.8177.90110D557D557-K560 HydrophobicContact CB-CB 4.23Å; D557-K560 PolarHBondContact O-N 3.17Å; D557-K560 VanDerWaalsContact OD2-CD 3.27Å; D557-K560 WeakPolarHBondContact OD2-CD 3.42Å
561T46.5Very low66.8Low94 Ų9479.5 Ų79.558%0.57747%0.467SS*.  trans-69.6143.2151.741.90000108.2D482D482-T561 WeakPolarHBondContact OD2-CA 3.38Å; D482-T561 WeakPolarHBondContact OD2-CB 3.32Å
562I45.4Very low63.9Low86 Ų8686.7 Ų86.744%0.44151%0.51SS..  trans-540-179.7-52.8172000110.8L480 D482 V507L480-I562 HydrophobicContact CB-CD1 3.95Å; D482-I562 HydrophobicContact CB-CD1 3.85Å; D482-I562 HydrophobicContact CB-CG1 4.11Å; D482-I562 PolarHBondContact OD2-N 2.9Å; V507-I562 HydrophobicContact CB-CG2 4.39Å; V507-I562 HydrophobicContact CG2-CG2 3.84Å

Retrieved 562 of 562 residues in 1016 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).