A0A077Z1J5_TRITR Loading...

DDENN and DENN and uDENN and RUN and PLAT domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1J5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,099 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low81.5Confident231 Ų23141.1 Ų41.1100%1.13821%0.21SC*.  0136.40-69.5-173.8-154.400107.3S3M1-S3 PolarHBondContact O-N 3.42Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2E51.3Low82.7Confident115 Ų11537.7 Ų37.754%0.53719%0.193SC..  trans-61.8111.6178.7-60.2-172.4162.600109.5R696E2-R696 VanDerWaalsContact CD-NH1 3.35Å; E2-R696 IonicContact OE1-CZ 3.17Å; E2-R696 IonicContact OE1-NH1 3.68Å; E2-R696 PolarHBondContact OE1-NH1 3.13Å; E2-R696 IonicContact OE1-NH2 3.46Å; E2-R696 IonicContact OE2-CZ 3.88Å; E2-R696 IonicContact OE2-NH1 3.73Å; E2-R696 PolarHBondContact OE2-NH1 3.2Å; E2-R696 IonicContact OE2-NH2 3.68Å; E2-R696 PolarHBondContact OE2-NH2 3.16Å
3S66.5Low83.7Confident53 Ų5334.8 Ų34.837%0.37118%0.179SC..  trans-92100.9175.252.70000108.9M1 L236M1-S3 PolarHBondContact O-N 3.42Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-L236 WeakPolarHBondContact O-CB 3.22Å; S3-L236 PolarHBondContact O-N 3.45Å
4N79.8Confident84.4Confident34 Ų3434.4 Ų34.418%0.18218%0.177CC..BIsolated β-bridgetrans-73.3154.3169.9-66.9-27.4000109.7R53N4-R53 PolarHBondContact ND2-NH1 2.7Å; N4-R53 PolarHBondContact ND2-NH2 2.78Å
5F88.7Confident84.8Confident3 Ų336.9 Ų36.91%0.01319%0.19CC..SBendtrans-66.6-43.8178.2-166.6-89.7000111.6T194 I198 A201 L205 L234 L236 F254F5-T194 WeakPolarHBondContact O-CG2 3.41Å; F5-I198 HydrophobicContact CD1-CD1 4.28Å; F5-I198 HydrophobicContact CD2-CD1 4.14Å; F5-I198 HydrophobicContact CE1-CD1 3.97Å; F5-I198 HydrophobicContact CE1-CG2 4.13Å; F5-I198 HydrophobicContact CE2-CD1 3.8Å; F5-I198 HydrophobicContact CG-CD1 4.37Å; F5-I198 HydrophobicContact CZ-CD1 3.72Å; F5-I198 HydrophobicContact CZ-CG2 3.72Å; F5-A201 HydrophobicContact CE1-CB 4.05Å; F5-A201 HydrophobicContact CZ-CB 3.64Å; F5-L205 HydrophobicContact CE1-CD1 4.13Å; F5-L234 HydrophobicContact CB-CB 4.16Å; F5-L234 HydrophobicContact CB-CD2 4.11Å; F5-L234 HydrophobicContact CB-CG 3.73Å; F5-L234 WeakPolarHBondContact CB-O 3.39Å; F5-L234 HydrophobicContact CD1-CD2 3.46Å; F5-L234 VanDerWaalsContact CD1-CD2 3.46Å; F5-L234 HydrophobicContact CD1-CG 4.01Å; F5-L234 HydrophobicContact CD2-CD2 4.46Å; F5-L234 HydrophobicContact CD2-CG 4.27Å; F5-L234 HydrophobicContact CE1-CD2 3.91Å; F5-L234 HydrophobicContact CG-CD2 3.77Å; F5-L234 HydrophobicContact CG-CG 3.76Å; F5-L234 PolarHBondContact N-O 3.28Å; F5-L236 HydrophobicContact CD2-CD1 4.23Å; F5-F254 HydrophobicContact CE2-CB 4.05Å; F5-F254 AromaticContact CE2-CD1 3.95Å; F5-F254 HydrophobicContact CE2-CD1 3.95Å; F5-F254 AromaticContact CE2-CD2 3.84Å; F5-F254 HydrophobicContact CE2-CD2 3.84Å; F5-F254 HydrophobicContact CE2-CE1 4.38Å; F5-F254 HydrophobicContact CE2-CE2 4.27Å; F5-F254 AromaticContact CE2-CG 3.66Å; F5-F254 HydrophobicContact CE2-CG 3.66Å; F5-F254 HydrophobicContact CZ-CB 4.43Å; F5-F254 HydrophobicContact CZ-CD2 4.09Å; F5-F254 HydrophobicContact CZ-CG 4.23Å
6V93.3Very high84.5Confident0 Ų038.2 Ų38.20%020%0.204CC..  trans-114132.9174.7-173.80000109.5Y8 R53 L192 M230 L231V6-Y8 WeakPolarHBondContact CG1-O 3.39Å; V6-R53 PolarHBondContact O-NH1 3.27Å; V6-L192 HydrophobicContact CG1-CB 4.2Å; V6-L192 HydrophobicContact CG1-CD2 3.75Å; V6-L192 HydrophobicContact CG2-CD2 4.21Å; V6-M230 HydrophobicContact CG2-CB 4.44Å; V6-L231 HydrophobicContact CB-CD2 4.36Å; V6-L231 HydrophobicContact CG1-CD2 3.88Å
7D92.3Very high84.1Confident7 Ų739.9 Ų39.94%0.03723%0.225CC..SBendtrans-85.1-49.5175.4-74.2-43.5000112.9R53 R56 I193 G195D7-R53 VanDerWaalsContact CA-NH1 3.33Å; D7-R53 WeakPolarHBondContact O-CD 3.27Å; D7-R53 PolarHBondContact O-NE 3.32Å; D7-R53 IonicContact OD1-NH1 2.61Å; D7-R53 PolarHBondContact OD1-NH1 3.41Å; D7-R56 VanDerWaalsContact CG-CD 3.42Å; D7-R56 WeakPolarHBondContact OD1-CD 3.49Å; D7-R56 IonicContact OD1-CZ 2.75Å; D7-R56 IonicContact OD1-NE 3.85Å; D7-R56 PolarHBondContact OD1-NE 3.5Å; D7-R56 IonicContact OD1-NH1 3.98Å; D7-R56 WeakPolarHBondContact OD2-CD 3.36Å; D7-R56 IonicContact OD2-CZ 2.74Å; D7-R56 VanDerWaalsContact OD2-CZ 3.28Å; D7-R56 IonicContact OD2-NE 3.57Å; D7-R56 IonicContact OD2-NH1 3.73Å; D7-R56 PolarHBondContact OD2-NH1 3.28Å; D7-I193 WeakPolarHBondContact CA-O 3.33Å; D7-I193 WeakPolarHBondContact CB-O 3.41Å; D7-I193 PolarHBondContact N-O 3.46Å; D7-G195 PolarHBondContact OD2-N 2.94Å
8Y95.7Very high83.6Confident8 Ų841.1 Ų41.13%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-142.9150.1178.7-67.2-86.1000111.2V6 Y48 Y49 P50 R53 R56 F58 I193V6-Y8 WeakPolarHBondContact CG1-O 3.39Å; Y8-Y48 HydrophobicContact CD1-CD2 4.37Å; Y8-Y49 CarbonylContact C-O 3.59Å; Y8-Y49 WeakPolarHBondContact CA-O 3.39Å; Y8-P50 HydrophobicContact CD1-CG 4.4Å; Y8-P50 WeakPolarHBondContact CD1-O 3.44Å; Y8-P50 HydrophobicContact CE1-CG 4.25Å; Y8-P50 WeakPolarHBondContact CE1-O 3.4Å; Y8-R53 HydrophobicContact CE1-CB 4.17Å; Y8-R53 HydrophobicContact CE2-CB 4.21Å; Y8-R53 WeakPolarHBondContact OH-CB 3.01Å; Y8-R53 PolarHBondContact OH-N 2.87Å; Y8-R56 HydrophobicContact CE2-CB 4.44Å; Y8-R56 PolarHBondContact OH-O 2.87Å; Y8-F58 HydrophobicContact CD1-CB 4.45Å; Y8-F58 HydrophobicContact CD1-CD2 4.1Å; Y8-F58 HydrophobicContact CD2-CD2 4.25Å; Y8-F58 HydrophobicContact CE1-CB 4.04Å; Y8-F58 HydrophobicContact CE2-CB 4.25Å; Y8-F58 AromaticContact CG-CD2 3.95Å; Y8-F58 HydrophobicContact CG-CD2 3.95Å; Y8-I193 PolarHBondContact N-O 3.5Å; Y8-I193 PolarHBondContact O-N 2.87Å
9F97.3Very high82.7Confident1 Ų147.1 Ų47.10%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-110.5129.3165.8176.4-109.7000108.1I11 Y48 Y49 L190 V191 L192 L206 L209 V227 L231 F674 L677F9-I11 HydrophobicContact CE1-CD1 4.12Å; F9-I11 HydrophobicContact CE1-CG1 3.81Å; F9-I11 HydrophobicContact CZ-CG1 4.16Å; F9-Y48 CarbonylContact O-C 3.57Å; F9-Y48 WeakPolarHBondContact O-CA 3.43Å; F9-Y49 AromaticContact CD1-CD2 3.92Å; F9-Y49 HydrophobicContact CD1-CD2 3.92Å; F9-Y49 HydrophobicContact CD1-CE2 4.4Å; F9-Y49 PolarHBondContact N-O 2.81Å; F9-Y49 PolarHBondContact O-N 2.81Å; F9-L190 HydrophobicContact CE2-CB 4.11Å; F9-L190 HydrophobicContact CZ-CB 4.38Å; F9-L190 HydrophobicContact CZ-CD2 4.14Å; F9-V191 CarbonylContact C-O 3.47Å; F9-V191 WeakPolarHBondContact CA-O 3.3Å; F9-V191 WeakPolarHBondContact CD2-O 3.42Å; F9-L192 HydrophobicContact CB-CD2 4.49Å; F9-L192 HydrophobicContact CD2-CD2 3.76Å; F9-L206 HydrophobicContact CE2-CD2 4.26Å; F9-L209 HydrophobicContact CE2-CD2 3.66Å; F9-L209 HydrophobicContact CZ-CD2 3.66Å; F9-V227 HydrophobicContact CB-CG1 4.05Å; F9-V227 HydrophobicContact CD1-CG1 3.62Å; F9-V227 HydrophobicContact CD1-CG2 4.29Å; F9-V227 HydrophobicContact CE1-CG1 4.28Å; F9-V227 HydrophobicContact CE1-CG2 4.15Å; F9-V227 HydrophobicContact CG-CG1 3.91Å; F9-V227 HydrophobicContact CZ-CG2 4.44Å; F9-L231 HydrophobicContact CB-CD1 4.32Å; F9-L231 HydrophobicContact CB-CD2 4.1Å; F9-L231 HydrophobicContact CB-CG 4.45Å; F9-F674 HydrophobicContact CE1-CE1 4.17Å; F9-F674 HydrophobicContact CE1-CZ 4.26Å; F9-F674 HydrophobicContact CZ-CE1 4.03Å; F9-F674 AromaticContact CZ-CZ 3.91Å; F9-F674 HydrophobicContact CZ-CZ 3.91Å; F9-L677 HydrophobicContact CD1-CD1 4.26Å; F9-L677 HydrophobicContact CE1-CD1 3.75Å
10M97Very high82Confident0 Ų048.8 Ų48.80%028%0.275CS..EExtended strand (participates in β ladder)trans-130.4143.9-177.6178.7-166.483.800110.5V45 S47 F58 V62 L63 C66 V191M10-V45 HydrophobicContact CG-CG1 3.77Å; M10-V45 HydrophobicContact SD-CG1 4.06Å; M10-V45 HydrophobicContact SD-CG2 3.87Å; M10-S47 WeakPolarHBondContact CA-O 3.44Å; M10-F58 HydrophobicContact CB-CE2 4.28Å; M10-F58 HydrophobicContact CB-CZ 4.39Å; M10-F58 HydrophobicContact CG-CE2 4.37Å; M10-F58 HydrophobicContact CG-CZ 4Å; M10-F58 HydrophobicContact SD-CE2 4.12Å; M10-F58 HydrophobicContact SD-CZ 3.64Å; M10-V62 HydrophobicContact CE-CG2 4.39Å; M10-V62 HydrophobicContact SD-CG2 4.09Å; M10-L63 HydrophobicContact CE-CD1 4.03Å; M10-C66 HydrophobicContact CE-CB 4.41Å; M10-V191 HydrophobicContact CB-CB 4.14Å; M10-V191 HydrophobicContact CE-CB 3.93Å; M10-V191 HydrophobicContact CE-CG1 4.26Å; M10-V191 HydrophobicContact CE-CG2 3.55Å; M10-V191 PolarHBondContact N-O 3.14Å; M10-V191 PolarHBondContact O-N 3.34Å
11I97.7Very high81.9Confident0 Ų047.4 Ų47.40%027%0.267CS..EExtended strand (participates in β ladder)trans-113.9117.2172.3-50178.9000107.4F9 L46 S47 K188 C189 L190 F674 L676F9-I11 HydrophobicContact CE1-CD1 4.12Å; F9-I11 HydrophobicContact CE1-CG1 3.81Å; F9-I11 HydrophobicContact CZ-CG1 4.16Å; I11-L46 HydrophobicContact CB-CB 4.48Å; I11-L46 HydrophobicContact CG2-CB 4.36Å; I11-L46 HydrophobicContact CG2-CD1 4.14Å; I11-L46 WeakPolarHBondContact O-CB 3.45Å; I11-L46 PolarHBondContact O-N 2.81Å; I11-S47 WeakPolarHBondContact CD1-OG 3.3Å; I11-S47 PolarHBondContact N-O 2.89Å; I11-S47 PolarHBondContact O-N 2.87Å; I11-K188 HydrophobicContact CG2-CG 4.42Å; I11-C189 WeakPolarHBondContact CA-O 3.38Å; I11-L190 HydrophobicContact CG1-CD2 4.24Å; I11-L190 HydrophobicContact CG2-CD2 4.24Å; I11-F674 HydrophobicContact CD1-CD1 3.76Å; I11-F674 HydrophobicContact CD1-CE1 3.55Å; I11-F674 HydrophobicContact CG1-CD1 4.49Å; I11-F674 HydrophobicContact CG1-CE1 4.31Å; I11-L676 HydrophobicContact CD1-CD2 4.32Å
12G96.5Very high83.9Confident0 Ų042 Ų420%024%0.239CC..EExtended strand (participates in β ladder)trans-109.6148176.500000111.9S44 M67 K188 C189G12-S44 WeakPolarHBondContact CA-O 3.43Å; G12-M67 WeakPolarHBondContact O-CE 3.31Å; G12-K188 WeakPolarHBondContact O-CA 3.27Å; G12-K188 WeakPolarHBondContact O-CG 3.47Å; G12-C189 PolarHBondContact N-O 2.85Å; G12-C189 PolarHBondContact O-N 2.99Å
13G95.2Very high85.1Confident1 Ų140 Ų401%0.0123%0.23CC..EExtended strand (participates in β ladder)trans171.5-159.1177.800000113.5S44G13-S44 PolarHBondContact N-O 3.38Å; G13-S44 PolarHBondContact O-N 2.86Å; G13-S44 PolarHBondContact O-OG 2.86Å
14L93.6Very high85.1Confident29 Ų2940 Ų4015%0.15222%0.222CC..  trans-78.7126174.3-173.871.9000110.3S16 L46 V71 F73 V114 V186L14-S16 PolarHBondContact O-N 3.3Å; L14-L46 WeakPolarHBondContact O-CD2 3.31Å; L14-V71 HydrophobicContact CB-CG1 4.12Å; L14-V71 HydrophobicContact CB-CG2 4.37Å; L14-V71 HydrophobicContact CD1-CG1 4.35Å; L14-F73 HydrophobicContact CD2-CE1 4.22Å; L14-F73 HydrophobicContact CD2-CZ 3.7Å; L14-V114 HydrophobicContact CD2-CG1 3.9Å; L14-V114 HydrophobicContact CD2-CG2 4.18Å; L14-V186 HydrophobicContact CB-CG2 3.93Å; L14-V186 HydrophobicContact CD2-CG2 4.19Å
15D89.6Confident84.2Confident71 Ų7139.7 Ų39.738%0.3822%0.222SC..  trans-76104.6167.1-176.58.6000109A17 S18 S44D15-A17 PolarHBondContact O-N 3.46Å; D15-A17 VanDerWaalsContact OD1-CB 3.26Å; D15-A17 WeakPolarHBondContact OD1-CB 3.45Å; D15-A17 PolarHBondContact OD1-N 2.85Å; D15-S18 PolarHBondContact O-N 2.97Å; D15-S44 WeakPolarHBondContact CB-OG 3.39Å; D15-S44 PolarHBondContact N-OG 2.89Å; D15-S44 VanDerWaalsContact N-OG 3.12Å
16S81.5Confident82.4Confident58 Ų5845.7 Ų45.741%0.40625%0.253SS..THydrogen-bonded Turntrans-73.9-8.3177.161.10000113.3L14L14-S16 PolarHBondContact O-N 3.3Å
17A76.9Confident80Confident68 Ų6848.8 Ų48.856%0.56227%0.27SS*.THydrogen-bonded Turntrans-85.1-20.6174.400000112.8D15 D19D15-A17 PolarHBondContact O-N 3.46Å; D15-A17 VanDerWaalsContact OD1-CB 3.26Å; D15-A17 WeakPolarHBondContact OD1-CB 3.45Å; D15-A17 PolarHBondContact OD1-N 2.85Å; A17-D19 PolarHBondContact O-N 3.1Å
18S75.7Confident77.5Confident60 Ų6055.2 Ų55.242%0.4230%0.304SS..SBendtrans-61.1130171178.90000110D15 D20D15-S18 PolarHBondContact O-N 2.97Å; S18-D20 PolarHBondContact O-N 2.66Å; S18-D20 PolarHBondContact OG-N 3.39Å; S18-D20 PolarHBondContact OG-O 2.87Å
19D65.7Low74.9Confident156 Ų15660 Ų6083%0.83434%0.339SS*.SBendtrans-65.4-19.8178.8-77.6-32.7000112.3A17A17-D19 PolarHBondContact O-N 3.1Å
20D69.5Low72.1Confident80 Ų8062.7 Ų62.743%0.42836%0.356SS..  trans-125.8139.4-178.3-87-48.4000114.1S18 E22 R117S18-D20 PolarHBondContact O-N 2.66Å; S18-D20 PolarHBondContact OG-N 3.39Å; S18-D20 PolarHBondContact OG-O 2.87Å; D20-E22 HydrophobicContact CB-CG 4.12Å; D20-E22 PolarHBondContact O-N 2.97Å; D20-R117 IonicContact OD1-CZ 3.82Å; D20-R117 IonicContact OD1-NE 3.28Å; D20-R117 IonicContact OD1-NH2 2.68Å; D20-R117 PolarHBondContact OD1-NH2 2.91Å
21I79Confident69.6Low20 Ų2070.5 Ų70.510%0.10340%0.397CS..  trans-90.388.7167.1-59.4178.7000106.7Y41 F73 V114 R117I21-Y41 HydrophobicContact CG2-CD1 3.27Å; I21-Y41 HydrophobicContact CG2-CE1 3.53Å; I21-Y41 HydrophobicContact CG2-CG 3.84Å; I21-F73 HydrophobicContact CD1-CZ 4.36Å; I21-F73 HydrophobicContact CG2-CE2 4.24Å; I21-V114 HydrophobicContact CD1-CG1 3.96Å; I21-R117 HydrophobicContact CB-CG 4.3Å; I21-R117 HydrophobicContact CD1-CB 3.81Å; I21-R117 HydrophobicContact CD1-CG 3.65Å; I21-R117 HydrophobicContact CG1-CG 3.94Å
22E78.2Confident67.4Low117 Ų11775.4 Ų75.455%0.54742%0.42SS..  trans-80.8135.4-177.2-68.2-173.8174.800112.2D20 Y41 V42D20-E22 HydrophobicContact CB-CG 4.12Å; D20-E22 PolarHBondContact O-N 2.97Å; E22-Y41 VanDerWaalsContact O-CA 3.3Å; E22-Y41 WeakPolarHBondContact O-CA 3.2Å; E22-Y41 WeakPolarHBondContact O-CD1 3.43Å; E22-V42 HydrophobicContact CB-CB 4.47Å; E22-V42 HydrophobicContact CB-CG2 3.7Å; E22-V42 PolarHBondContact O-N 3.46Å
23E77.2Confident65.9Low74 Ų7478.5 Ų78.535%0.34643%0.434SS..BIsolated β-bridgetrans-73.1129.5176-172.8166.2-171.900110.1K39E23-K39 VanDerWaalsContact OE1-CD 3.22Å; E23-K39 WeakPolarHBondContact OE1-CD 3.49Å; E23-K39 VanDerWaalsContact OE1-CE 3.27Å; E23-K39 WeakPolarHBondContact OE1-CE 3.48Å; E23-K39 IonicContact OE1-NZ 3.85Å; E23-K39 PolarHBondContact OE1-NZ 2.93Å; E23-K39 IonicContact OE2-NZ 3.95Å; E23-K39 PolarHBondContact OE2-NZ 3.16Å
24W66.7Low65Low53 Ų5381.4 Ų81.420%0.20145%0.446CS..SBendtrans-76.4-34.8-170.9-174.7-116.5000113.8S40 V42 P43 L64W24-S40 WeakPolarHBondContact CB-O 3.35Å; W24-S40 PolarHBondContact N-O 3.41Å; W24-V42 VanDerWaalsContact CE3-CA 3.44Å; W24-V42 HydrophobicContact CE3-CB 3.86Å; W24-V42 HydrophobicContact CE3-CG1 4.08Å; W24-V42 HydrophobicContact CE3-CG2 3.58Å; W24-V42 HydrophobicContact CZ3-CB 4.14Å; W24-V42 HydrophobicContact CZ3-CG1 3.82Å; W24-V42 HydrophobicContact CZ3-CG2 4.08Å; W24-P43 VanDerWaalsContact CE3-CD 3.47Å; W24-P43 VanDerWaalsContact CH2-CD 3.49Å; W24-P43 HydrophobicContact CH2-CG 3.88Å; W24-P43 HydrophobicContact CZ2-CG 4.04Å; W24-P43 HydrophobicContact CZ3-CG 4.25Å; W24-L64 HydrophobicContact CH2-CD2 3.43Å; W24-L64 VanDerWaalsContact CH2-CD2 3.43Å; W24-L64 HydrophobicContact CZ2-CD2 3.29Å
25C61.3Low64.6Low28 Ų2880.2 Ų80.219%0.18944%0.44CS..  trans-138.9111.7-176.2-164.60000107.7D27C25-D27 VanDerWaalsContact C-N 3.25Å; C25-D27 PolarHBondContact O-N 2.83Å; C25-D27 PolarHBondContact SG-OD1 3.44Å; C25-D27 VanDerWaalsContact SG-OD1 3.36Å
26L49.7Very low64.4Low128 Ų12877.2 Ų77.267%0.6743%0.425SS*.  trans-70.594.1159.2-83.190.3000106N28L26-N28 PolarHBondContact O-N 3.36Å
27D44.5Very low64.7Low66 Ų6674.7 Ų74.735%0.35341%0.406SS..  trans-6373.2169.2-81.8-11.7000108.9C25 S29 K34C25-D27 VanDerWaalsContact C-N 3.25Å; C25-D27 PolarHBondContact O-N 2.83Å; C25-D27 PolarHBondContact SG-OD1 3.44Å; C25-D27 VanDerWaalsContact SG-OD1 3.36Å; D27-S29 PolarHBondContact O-N 2.95Å; D27-K34 IonicContact OD2-NZ 2.68Å; D27-K34 PolarHBondContact OD2-NZ 3.06Å
28N38.3Very low65Low141 Ų14174.9 Ų74.975%0.75440%0.398SS*.  trans-67.3-16.3173.3-75.1-15.9000111.3L26L26-N28 PolarHBondContact O-N 3.36Å
29S40.8Very low65.5Low109 Ų10974.6 Ų74.676%0.76239%0.389SS*.SBendtrans-84.7-25.8-176560000113.7D27D27-S29 PolarHBondContact O-N 2.95Å
30T40Very low66.6Low58 Ų5868.4 Ų68.436%0.35636%0.358SS..  trans-116.4106.8176.359.60000108.8E32T30-E32 PolarHBondContact O-N 3.25Å
31N42.9Very low67.5Low163 Ų16364.8 Ų64.887%0.87234%0.339SS*.  trans-56.313.6169.6-102.6-15.3000114.4F33N31-F33 PolarHBondContact O-N 2.95Å; N31-F33 VanDerWaalsContact O-N 3.09Å
32E51.8Low68Low103 Ų10366.3 Ų66.348%0.48135%0.349SS..  trans-73103.3175.6-71.3-160.5150.200108.8T30 K34 K172T30-E32 PolarHBondContact O-N 3.25Å; E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 HydrophobicContact CB-CG 4.23Å; E32-K34 PolarHBondContact O-N 2.89Å; E32-K172 IonicContact OE1-NZ 3.57Å; E32-K172 PolarHBondContact OE1-NZ 3.43Å; E32-K172 IonicContact OE2-NZ 3.32Å
33F66.6Low68.7Low66 Ų6661.1 Ų61.129%0.28933%0.325SS..  trans-62.587.6168.1-162.5-105.8000109.2N31 Y125 E128 L129 M132N31-F33 PolarHBondContact O-N 2.95Å; N31-F33 VanDerWaalsContact O-N 3.09Å; F33-Y125 AromaticContact CD1-CD2 3.69Å; F33-Y125 HydrophobicContact CD1-CD2 3.69Å; F33-Y125 AromaticContact CD1-CE2 3.12Å; F33-Y125 HydrophobicContact CD1-CE2 3.12Å; F33-Y125 AromaticContact CD1-CZ 3.83Å; F33-Y125 AromaticContact CE1-CD2 3.13Å; F33-Y125 HydrophobicContact CE1-CD2 3.13Å; F33-Y125 AromaticContact CE1-CE2 3.08Å; F33-Y125 HydrophobicContact CE1-CE2 3.08Å; F33-Y125 AromaticContact CE1-CG 3.96Å; F33-Y125 HydrophobicContact CE1-CG 3.96Å; F33-Y125 AromaticContact CE1-CZ 3.86Å; F33-Y125 HydrophobicContact CG-CE2 4.06Å; F33-Y125 AromaticContact CZ-CD2 3.61Å; F33-Y125 HydrophobicContact CZ-CD2 3.61Å; F33-Y125 AromaticContact CZ-CE2 3.97Å; F33-Y125 HydrophobicContact CZ-CE2 3.97Å; F33-Y125 HydrophobicContact CZ-CG 4.43Å; F33-Y125 PolarHBondContact O-OH 3.1Å; F33-E128 HydrophobicContact CE1-CB 4.24Å; F33-E128 HydrophobicContact CE2-CB 4.08Å; F33-E128 WeakPolarHBondContact CE2-OE2 3.12Å; F33-E128 HydrophobicContact CZ-CB 3.41Å; F33-E128 VanDerWaalsContact CZ-CB 3.41Å; F33-E128 HydrophobicContact CZ-CG 4.4Å; F33-E128 VanDerWaalsContact CZ-OE2 3.24Å; F33-E128 WeakPolarHBondContact CZ-OE2 3.23Å; F33-L129 HydrophobicContact CD1-CD1 3.75Å; F33-L129 HydrophobicContact CE1-CB 4.03Å; F33-L129 HydrophobicContact CE1-CD1 4.08Å; F33-M132 HydrophobicContact CD2-CE 3.94Å; F33-M132 HydrophobicContact CD2-SD 4.37Å; F33-M132 HydrophobicContact CE2-CE 4.15Å; F33-M132 HydrophobicContact CG-SD 4.45Å
34K75.5Confident69.5Low62 Ų6259 Ų5927%0.2732%0.318SS..  trans-83.7140.7-176.3-71173-170.91700111.6D27 E32 K39 Y125D27-K34 IonicContact OD2-NZ 2.68Å; D27-K34 PolarHBondContact OD2-NZ 3.06Å; E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 HydrophobicContact CB-CG 4.23Å; E32-K34 PolarHBondContact O-N 2.89Å; K34-K39 HydrophobicContact CB-CG 4.36Å; K34-K39 WeakPolarHBondContact O-CE 3.25Å; K34-Y125 VanDerWaalsContact C-CE2 3.46Å; K34-Y125 WeakPolarHBondContact O-CD2 3.36Å; K34-Y125 VanDerWaalsContact O-CE2 3.29Å; K34-Y125 WeakPolarHBondContact O-CE2 3.39Å
35S84.3Confident70.8Confident4 Ų458.2 Ų58.23%0.02832%0.319CS..  trans-60.7143.9171.51790000110.2I37 D38 K39 S175S35-I37 PolarHBondContact O-N 2.99Å; S35-D38 PolarHBondContact O-N 2.98Å; S35-K39 PolarHBondContact O-N 3.37Å; S35-S175 VanDerWaalsContact CB-OG 3.3Å; S35-S175 WeakPolarHBondContact CB-OG 3.45Å; S35-S175 PolarHBondContact OG-O 3.39Å; S35-S175 PolarHBondContact OG-OG 3.3Å
36P86.7Confident72.4Confident7 Ų759.2 Ų59.25%0.04532%0.322CS..G310 helixtrans-51.7-27.1177.1-3238.4000115.2D38 K39 Y41 M118 L121 Y125P36-D38 VanDerWaalsContact C-N 3.33Å; P36-K39 PolarHBondContact O-N 3.27Å; P36-Y41 WeakPolarHBondContact CB-OH 3.24Å; P36-Y41 VanDerWaalsContact O-CE2 3.31Å; P36-Y41 WeakPolarHBondContact O-CE2 3.32Å; P36-Y41 PolarHBondContact O-OH 2.89Å; P36-M118 HydrophobicContact CB-SD 3.97Å; P36-L121 HydrophobicContact CB-CB 4.08Å; P36-L121 HydrophobicContact CG-CB 4.08Å; P36-Y125 HydrophobicContact CG-CG 4.42Å
37I87.4Confident74.6Confident5 Ų553.6 Ų53.63%0.02629%0.294CS..G310 helixtrans-76.8-20.9177.8-156.2154.1000113.6S35 F73 T75 S175 Y177S35-I37 PolarHBondContact O-N 2.99Å; I37-F73 HydrophobicContact CG1-CB 4.12Å; I37-F73 WeakPolarHBondContact CG1-O 3.21Å; I37-T75 HydrophobicContact CD1-CG2 3.35Å; I37-S175 WeakPolarHBondContact CG2-OG 3.33Å; I37-Y177 HydrophobicContact CD1-CD2 4.44Å
38D83.8Confident77Confident72 Ų7252.9 Ų52.939%0.38529%0.287SS..G310 helixtrans-97.32.3176.6-65.4-41.1000112.2S35 P36 R74 S175S35-D38 PolarHBondContact O-N 2.98Å; P36-D38 VanDerWaalsContact C-N 3.33Å; D38-R74 IonicContact OD1-NH1 3.2Å; D38-R74 PolarHBondContact OD1-NH1 3.12Å; D38-S175 WeakPolarHBondContact OD2-CB 3.46Å; D38-S175 PolarHBondContact OD2-OG 3.36Å
39K86.6Confident79.7Confident55 Ų5546.6 Ų46.624%0.23925%0.253CS..SBendtrans-84.3163.4174.4-68.9-175.7167.6-147.70112.1E23 K34 S35 P36 Y41E23-K39 VanDerWaalsContact OE1-CD 3.22Å; E23-K39 WeakPolarHBondContact OE1-CD 3.49Å; E23-K39 VanDerWaalsContact OE1-CE 3.27Å; E23-K39 WeakPolarHBondContact OE1-CE 3.48Å; E23-K39 IonicContact OE1-NZ 3.85Å; E23-K39 PolarHBondContact OE1-NZ 2.93Å; E23-K39 IonicContact OE2-NZ 3.95Å; E23-K39 PolarHBondContact OE2-NZ 3.16Å; K34-K39 HydrophobicContact CB-CG 4.36Å; K34-K39 WeakPolarHBondContact O-CE 3.25Å; S35-K39 PolarHBondContact O-N 3.37Å; P36-K39 PolarHBondContact O-N 3.27Å; K39-Y41 HydrophobicContact CB-CE2 4.08Å
40S87Confident82.2Confident26 Ų2641.6 Ų41.618%0.18222%0.217CC..  trans-106.2137.6175.7-71.80000110.6W24 K69W24-S40 WeakPolarHBondContact CB-O 3.35Å; W24-S40 PolarHBondContact N-O 3.41Å; S40-K69 WeakPolarHBondContact CB-O 3.45Å; S40-K69 PolarHBondContact OG-O 3.25Å
41Y90.2Very high84.6Confident4 Ų443.3 Ų43.32%0.01622%0.22CC..BIsolated β-bridgetrans-123.3159.1-176-60.1-83.1000112.2I21 E22 P36 K39 P43 G70 V71 F73 M118 L121I21-Y41 HydrophobicContact CG2-CD1 3.27Å; I21-Y41 HydrophobicContact CG2-CE1 3.53Å; I21-Y41 HydrophobicContact CG2-CG 3.84Å; E22-Y41 VanDerWaalsContact O-CA 3.3Å; E22-Y41 WeakPolarHBondContact O-CA 3.2Å; E22-Y41 WeakPolarHBondContact O-CD1 3.43Å; P36-Y41 WeakPolarHBondContact CB-OH 3.24Å; P36-Y41 VanDerWaalsContact O-CE2 3.31Å; P36-Y41 WeakPolarHBondContact O-CE2 3.32Å; P36-Y41 PolarHBondContact O-OH 2.89Å; K39-Y41 HydrophobicContact CB-CE2 4.08Å; Y41-P43 WeakPolarHBondContact O-CD 3.2Å; Y41-G70 CarbonylContact O-C 3.53Å; Y41-G70 VanDerWaalsContact O-CA 3.3Å; Y41-G70 WeakPolarHBondContact O-CA 3.3Å; Y41-V71 PolarHBondContact N-O 2.7Å; Y41-V71 PolarHBondContact O-N 2.81Å; Y41-F73 AromaticContact CD2-CD2 3.52Å; Y41-F73 HydrophobicContact CD2-CD2 3.52Å; Y41-F73 AromaticContact CD2-CE2 3.52Å; Y41-F73 HydrophobicContact CD2-CE2 3.52Å; Y41-F73 AromaticContact CE2-CD2 3.47Å; Y41-F73 HydrophobicContact CE2-CD2 3.47Å; Y41-F73 VanDerWaalsContact CE2-CD2 3.47Å; Y41-F73 AromaticContact CE2-CE2 3.75Å; Y41-F73 HydrophobicContact CE2-CE2 3.75Å; Y41-F73 HydrophobicContact CG-CD2 4.47Å; Y41-F73 HydrophobicContact CG-CE2 4.05Å; Y41-M118 HydrophobicContact CE2-CE 4.17Å; Y41-L121 HydrophobicContact CE1-CD1 4.18Å
42V89.6Confident86.4Confident51 Ų5143.1 Ų43.131%0.30921%0.214SC..  trans-59.1118.9-177.6174.30000111.1E22 W24E22-V42 HydrophobicContact CB-CB 4.47Å; E22-V42 HydrophobicContact CB-CG2 3.7Å; E22-V42 PolarHBondContact O-N 3.46Å; W24-V42 VanDerWaalsContact CE3-CA 3.44Å; W24-V42 HydrophobicContact CE3-CB 3.86Å; W24-V42 HydrophobicContact CE3-CG1 4.08Å; W24-V42 HydrophobicContact CE3-CG2 3.58Å; W24-V42 HydrophobicContact CZ3-CB 4.14Å; W24-V42 HydrophobicContact CZ3-CG1 3.82Å; W24-V42 HydrophobicContact CZ3-CG2 4.08Å
43P91.6Very high87.9Confident9 Ų939.8 Ų39.86%0.05820%0.197CC..  trans-80.7153.5169.135.8-32.1000111.1W24 Y41 L63 M67 V71W24-P43 VanDerWaalsContact CE3-CD 3.47Å; W24-P43 VanDerWaalsContact CH2-CD 3.49Å; W24-P43 HydrophobicContact CH2-CG 3.88Å; W24-P43 HydrophobicContact CZ2-CG 4.04Å; W24-P43 HydrophobicContact CZ3-CG 4.25Å; Y41-P43 WeakPolarHBondContact O-CD 3.2Å; P43-L63 HydrophobicContact CB-CD1 4.39Å; P43-L63 HydrophobicContact CB-CD2 3.9Å; P43-L63 HydrophobicContact CB-CG 4.11Å; P43-L63 HydrophobicContact CG-CD2 4.15Å; P43-L63 HydrophobicContact CG-CG 4.23Å; P43-M67 HydrophobicContact CB-CB 4.21Å; P43-M67 HydrophobicContact CB-SD 3.91Å; P43-M67 HydrophobicContact CG-CB 4.39Å; P43-V71 HydrophobicContact CB-CG2 3.9Å
44S93.5Very high88.3Confident28 Ų2848 Ų4820%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-131.9153.9176.164.50000111.4G12 G13 D15 L46G12-S44 WeakPolarHBondContact CA-O 3.43Å; G13-S44 PolarHBondContact N-O 3.38Å; G13-S44 PolarHBondContact O-N 2.86Å; G13-S44 PolarHBondContact O-OG 2.86Å; D15-S44 WeakPolarHBondContact CB-OG 3.39Å; D15-S44 PolarHBondContact N-OG 2.89Å; D15-S44 VanDerWaalsContact N-OG 3.12Å; S44-L46 PolarHBondContact O-N 2.86Å; S44-L46 WeakPolarHBondContact OG-CD2 3.4Å
45V95.7Very high88.3Confident37 Ų3748.8 Ų48.822%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-81.1105.2168.3179.30000107.6M10 Y48 F58 E60 L63M10-V45 HydrophobicContact CG-CG1 3.77Å; M10-V45 HydrophobicContact SD-CG1 4.06Å; M10-V45 HydrophobicContact SD-CG2 3.87Å; V45-Y48 HydrophobicContact CG1-CD1 4.06Å; V45-F58 HydrophobicContact CG1-CE1 4.38Å; V45-F58 HydrophobicContact CG1-CZ 4.24Å; V45-E60 HydrophobicContact CG2-CB 4.47Å; V45-E60 HydrophobicContact CG2-CG 4.36Å; V45-L63 HydrophobicContact CG2-CB 4.18Å; V45-L63 HydrophobicContact CG2-CD2 3.91Å
46L94.9Very high88Confident49 Ų4953.1 Ų53.126%0.25727%0.268SS..EExtended strand (participates in β ladder)trans-72.9-40.3-177.8-56.2-179.6000111.6I11 L14 S44 L676I11-L46 HydrophobicContact CB-CB 4.48Å; I11-L46 HydrophobicContact CG2-CB 4.36Å; I11-L46 HydrophobicContact CG2-CD1 4.14Å; I11-L46 WeakPolarHBondContact O-CB 3.45Å; I11-L46 PolarHBondContact O-N 2.81Å; L14-L46 WeakPolarHBondContact O-CD2 3.31Å; S44-L46 PolarHBondContact O-N 2.86Å; S44-L46 WeakPolarHBondContact OG-CD2 3.4Å; L46-L676 HydrophobicContact CB-CD2 4.03Å
47S94.8Very high87.8Confident11 Ų1158.8 Ų58.88%0.07730%0.297CS..EExtended strand (participates in β ladder)trans-162.9161170.559.90000111M10 I11 Y49M10-S47 WeakPolarHBondContact CA-O 3.44Å; I11-S47 WeakPolarHBondContact CD1-OG 3.3Å; I11-S47 PolarHBondContact N-O 2.89Å; I11-S47 PolarHBondContact O-N 2.87Å; S47-Y49 VanDerWaalsContact CB-OH 3.23Å; S47-Y49 WeakPolarHBondContact CB-OH 3.4Å; S47-Y49 WeakPolarHBondContact OG-CE2 3.38Å; S47-Y49 PolarHBondContact OG-OH 3.48Å; S47-Y49 VanDerWaalsContact OG-OH 3.14Å
48Y96Very high87.8Confident50 Ų5060.2 Ų60.220%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-151.7152173.471-87.1000110.3Y8 F9 V45 K51 F58Y8-Y48 HydrophobicContact CD1-CD2 4.37Å; F9-Y48 CarbonylContact O-C 3.57Å; F9-Y48 WeakPolarHBondContact O-CA 3.43Å; V45-Y48 HydrophobicContact CG1-CD1 4.06Å; Y48-K51 HydrophobicContact CD2-CD 4.39Å; Y48-K51 HydrophobicContact CE1-CD 4.24Å; Y48-K51 HydrophobicContact CE2-CD 3.82Å; Y48-K51 PolarHBondContact O-NZ 2.83Å; Y48-F58 HydrophobicContact CD1-CD1 4.06Å; Y48-F58 AromaticContact CD1-CE1 3.63Å; Y48-F58 HydrophobicContact CD1-CE1 3.63Å; Y48-F58 HydrophobicContact CD1-CZ 4.06Å; Y48-F58 HydrophobicContact CD2-CB 4.42Å; Y48-F58 AromaticContact CD2-CD1 3.88Å; Y48-F58 HydrophobicContact CD2-CD1 3.88Å; Y48-F58 HydrophobicContact CD2-CD2 4.04Å; Y48-F58 HydrophobicContact CD2-CE1 4.08Å; Y48-F58 HydrophobicContact CD2-CE2 4.25Å; Y48-F58 AromaticContact CD2-CG 3.86Å; Y48-F58 HydrophobicContact CD2-CG 3.86Å; Y48-F58 HydrophobicContact CD2-CZ 4.27Å; Y48-F58 HydrophobicContact CE1-CD1 4.05Å; Y48-F58 AromaticContact CE1-CE1 3.99Å; Y48-F58 HydrophobicContact CE1-CE1 3.99Å; Y48-F58 HydrophobicContact CE2-CB 4.18Å; Y48-F58 AromaticContact CE2-CD1 3.86Å; Y48-F58 HydrophobicContact CE2-CD1 3.86Å; Y48-F58 HydrophobicContact CE2-CE1 4.39Å; Y48-F58 AromaticContact CE2-CG 3.97Å; Y48-F58 HydrophobicContact CE2-CG 3.97Å; Y48-F58 AromaticContact CG-CD1 3.98Å; Y48-F58 HydrophobicContact CG-CD1 3.98Å; Y48-F58 HydrophobicContact CG-CD2 4.34Å; Y48-F58 AromaticContact CG-CE1 3.69Å; Y48-F58 HydrophobicContact CG-CE1 3.69Å; Y48-F58 HydrophobicContact CG-CE2 4.09Å; Y48-F58 HydrophobicContact CG-CG 4.29Å; Y48-F58 AromaticContact CG-CZ 3.76Å; Y48-F58 HydrophobicContact CG-CZ 3.76Å; Y48-F58 AromaticContact CZ-CD1 3.96Å
49Y94.9Very high87.9Confident10 Ų1057.4 Ų57.44%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-145.3146.4-174.6-45.4-85.8000111.3Y8 F9 S47 L677 G679 L682Y8-Y49 CarbonylContact C-O 3.59Å; Y8-Y49 WeakPolarHBondContact CA-O 3.39Å; F9-Y49 AromaticContact CD1-CD2 3.92Å; F9-Y49 HydrophobicContact CD1-CD2 3.92Å; F9-Y49 HydrophobicContact CD1-CE2 4.4Å; F9-Y49 PolarHBondContact N-O 2.81Å; F9-Y49 PolarHBondContact O-N 2.81Å; S47-Y49 VanDerWaalsContact CB-OH 3.23Å; S47-Y49 WeakPolarHBondContact CB-OH 3.4Å; S47-Y49 WeakPolarHBondContact OG-CE2 3.38Å; S47-Y49 PolarHBondContact OG-OH 3.48Å; S47-Y49 VanDerWaalsContact OG-OH 3.14Å; Y49-L677 HydrophobicContact CE2-CB 4.23Å; Y49-L677 HydrophobicContact CE2-CD1 4.33Å; Y49-L677 PolarHBondContact OH-O 3.39Å; Y49-G679 VanDerWaalsContact CE1-CA 3.42Å; Y49-L682 HydrophobicContact CD1-CB 3.92Å; Y49-L682 HydrophobicContact CD1-CD1 3.65Å; Y49-L682 HydrophobicContact CD1-CG 4.4Å; Y49-L682 HydrophobicContact CD2-CD1 3.78Å; Y49-L682 HydrophobicContact CE1-CD1 3.95Å; Y49-L682 HydrophobicContact CE2-CD1 4.05Å; Y49-L682 HydrophobicContact CG-CB 4.12Å; Y49-L682 HydrophobicContact CG-CD1 3.55Å; Y49-L682 HydrophobicContact CG-CG 4.5Å
50P93Very high87.9Confident3 Ų360.4 Ų60.42%0.01931%0.305CS..  cis-65.7168.7-1431.5-36.2000111.3Y8 R53Y8-P50 HydrophobicContact CD1-CG 4.4Å; Y8-P50 WeakPolarHBondContact CD1-O 3.44Å; Y8-P50 HydrophobicContact CE1-CG 4.25Å; Y8-P50 WeakPolarHBondContact CE1-O 3.4Å; P50-R53 HydrophobicContact CG-CB 4.48Å
51K89.4Confident87.8Confident95 Ų9563.9 Ų63.941%0.41332%0.318SS..SBendtrans-72.6-31.8176.4-69.7-55.5-176.7-164.80113.5Y48 E683Y48-K51 HydrophobicContact CD2-CD 4.39Å; Y48-K51 HydrophobicContact CE1-CD 4.24Å; Y48-K51 HydrophobicContact CE2-CD 3.82Å; Y48-K51 PolarHBondContact O-NZ 2.83Å; K51-E683 WeakPolarHBondContact CB-OE1 3.37Å; K51-E683 WeakPolarHBondContact CG-OE1 3.31Å; K51-E683 PolarHBondContact N-OE1 2.8Å
52E82.1Confident87.8Confident158 Ų15863.8 Ų63.874%0.73832%0.317SS*.  trans-132133.7176.8-67.6-174.7169.400111.1
53R82.4Confident88Confident33 Ų3361.9 Ų61.913%0.12531%0.306CS..  trans-129.7126.2168.7-167.1163.4-95.7-138.61.8110.6N4 V6 D7 Y8 P50 G55 R56 L231N4-R53 PolarHBondContact ND2-NH1 2.7Å; N4-R53 PolarHBondContact ND2-NH2 2.78Å; V6-R53 PolarHBondContact O-NH1 3.27Å; D7-R53 VanDerWaalsContact CA-NH1 3.33Å; D7-R53 WeakPolarHBondContact O-CD 3.27Å; D7-R53 PolarHBondContact O-NE 3.32Å; D7-R53 IonicContact OD1-NH1 2.61Å; D7-R53 PolarHBondContact OD1-NH1 3.41Å; Y8-R53 HydrophobicContact CE1-CB 4.17Å; Y8-R53 HydrophobicContact CE2-CB 4.21Å; Y8-R53 WeakPolarHBondContact OH-CB 3.01Å; Y8-R53 PolarHBondContact OH-N 2.87Å; P50-R53 HydrophobicContact CG-CB 4.48Å; R53-G55 PolarHBondContact O-N 3.08Å; R53-R56 HydrophobicContact CG-CB 4.43Å; R53-R56 PolarHBondContact O-N 3.33Å; R53-L231 PolarHBondContact NH2-O 3.46Å
54R75.5Confident87.9Confident239 Ų23963.6 Ų63.690%0.90231%0.314SS*.THydrogen-bonded Turntrans-59.2123.2-177.7-73.6-176.1174.9178.3-0.5110.8R56R54-R56 PolarHBondContact O-N 3.45Å
55G74.6Confident87.8Confident79 Ų7963.3 Ų63.381%0.81431%0.31SS*.THydrogen-bonded Turntrans76.6-1.2176.700000115.7R53R53-G55 PolarHBondContact O-N 3.08Å
56R78.9Confident87.8Confident95 Ų9561.6 Ų61.636%0.35830%0.3SS..  trans-132.798.4180-64.4-170.5-176.9-123.712.1109.5D7 Y8 R53 R54D7-R56 VanDerWaalsContact CG-CD 3.42Å; D7-R56 WeakPolarHBondContact OD1-CD 3.49Å; D7-R56 IonicContact OD1-CZ 2.75Å; D7-R56 IonicContact OD1-NE 3.85Å; D7-R56 PolarHBondContact OD1-NE 3.5Å; D7-R56 IonicContact OD1-NH1 3.98Å; D7-R56 WeakPolarHBondContact OD2-CD 3.36Å; D7-R56 IonicContact OD2-CZ 2.74Å; D7-R56 VanDerWaalsContact OD2-CZ 3.28Å; D7-R56 IonicContact OD2-NE 3.57Å; D7-R56 IonicContact OD2-NH1 3.73Å; D7-R56 PolarHBondContact OD2-NH1 3.28Å; Y8-R56 HydrophobicContact CE2-CB 4.44Å; Y8-R56 PolarHBondContact OH-O 2.87Å; R53-R56 HydrophobicContact CG-CB 4.43Å; R53-R56 PolarHBondContact O-N 3.33Å; R54-R56 PolarHBondContact O-N 3.45Å
57L82.6Confident87.7Confident125 Ų12559.6 Ų59.665%0.65429%0.289SS*.  trans-74.5137.2177.1-61.8173.4000110.1
58F87.1Confident87.4Confident35 Ų3559.4 Ų59.415%0.15429%0.288CS..  trans-68.6139.6168.8-178.6-107.7000109.6Y8 M10 V45 Y48 E60 I193Y8-F58 HydrophobicContact CD1-CB 4.45Å; Y8-F58 HydrophobicContact CD1-CD2 4.1Å; Y8-F58 HydrophobicContact CD2-CD2 4.25Å; Y8-F58 HydrophobicContact CE1-CB 4.04Å; Y8-F58 HydrophobicContact CE2-CB 4.25Å; Y8-F58 AromaticContact CG-CD2 3.95Å; Y8-F58 HydrophobicContact CG-CD2 3.95Å; M10-F58 HydrophobicContact CB-CE2 4.28Å; M10-F58 HydrophobicContact CB-CZ 4.39Å; M10-F58 HydrophobicContact CG-CE2 4.37Å; M10-F58 HydrophobicContact CG-CZ 4Å; M10-F58 HydrophobicContact SD-CE2 4.12Å; M10-F58 HydrophobicContact SD-CZ 3.64Å; V45-F58 HydrophobicContact CG1-CE1 4.38Å; V45-F58 HydrophobicContact CG1-CZ 4.24Å; Y48-F58 HydrophobicContact CD1-CD1 4.06Å; Y48-F58 AromaticContact CD1-CE1 3.63Å; Y48-F58 HydrophobicContact CD1-CE1 3.63Å; Y48-F58 HydrophobicContact CD1-CZ 4.06Å; Y48-F58 HydrophobicContact CD2-CB 4.42Å; Y48-F58 AromaticContact CD2-CD1 3.88Å; Y48-F58 HydrophobicContact CD2-CD1 3.88Å; Y48-F58 HydrophobicContact CD2-CD2 4.04Å; Y48-F58 HydrophobicContact CD2-CE1 4.08Å; Y48-F58 HydrophobicContact CD2-CE2 4.25Å; Y48-F58 AromaticContact CD2-CG 3.86Å; Y48-F58 HydrophobicContact CD2-CG 3.86Å; Y48-F58 HydrophobicContact CD2-CZ 4.27Å; Y48-F58 HydrophobicContact CE1-CD1 4.05Å; Y48-F58 AromaticContact CE1-CE1 3.99Å; Y48-F58 HydrophobicContact CE1-CE1 3.99Å; Y48-F58 HydrophobicContact CE2-CB 4.18Å; Y48-F58 AromaticContact CE2-CD1 3.86Å; Y48-F58 HydrophobicContact CE2-CD1 3.86Å; Y48-F58 HydrophobicContact CE2-CE1 4.39Å; Y48-F58 AromaticContact CE2-CG 3.97Å; Y48-F58 HydrophobicContact CE2-CG 3.97Å; Y48-F58 AromaticContact CG-CD1 3.98Å; Y48-F58 HydrophobicContact CG-CD1 3.98Å; Y48-F58 HydrophobicContact CG-CD2 4.34Å; Y48-F58 AromaticContact CG-CE1 3.69Å; Y48-F58 HydrophobicContact CG-CE1 3.69Å; Y48-F58 HydrophobicContact CG-CE2 4.09Å; Y48-F58 HydrophobicContact CG-CG 4.29Å; Y48-F58 AromaticContact CG-CZ 3.76Å; Y48-F58 HydrophobicContact CG-CZ 3.76Å; Y48-F58 AromaticContact CZ-CD1 3.96Å; F58-E60 HydrophobicContact CD1-CG 4.05Å; F58-E60 HydrophobicContact CE1-CB 4.47Å; F58-E60 HydrophobicContact CE1-CG 3.61Å; F58-I193 HydrophobicContact CD2-CD1 4.05Å; F58-I193 HydrophobicContact CE2-CD1 3.69Å
59A85.5Confident86.9Confident13 Ų1358.4 Ų58.411%0.10728%0.284CS..  trans-119.8108.8-18000000108.1E61 V62A59-E61 WeakPolarHBondContact CA-OE2 3.41Å; A59-E61 WeakPolarHBondContact CB-OE2 3.46Å; A59-E61 PolarHBondContact O-N 2.93Å; A59-V62 HydrophobicContact CB-CG1 4.17Å; A59-V62 WeakPolarHBondContact O-CG1 3.43Å; A59-V62 WeakPolarHBondContact O-CG2 3.14Å; A59-V62 PolarHBondContact O-N 3.48Å
60E86.4Confident86.6Confident119 Ų11958.1 Ų58.156%0.55629%0.285SS*.G310 helixtrans-65-25.1-179.1-76.5178.6-17400112.2V45 F58 V62 L63V45-E60 HydrophobicContact CG2-CB 4.47Å; V45-E60 HydrophobicContact CG2-CG 4.36Å; F58-E60 HydrophobicContact CD1-CG 4.05Å; F58-E60 HydrophobicContact CE1-CB 4.47Å; F58-E60 HydrophobicContact CE1-CG 3.61Å; E60-V62 PolarHBondContact O-N 2.98Å; E60-V62 VanDerWaalsContact O-N 3.11Å; E60-L63 WeakPolarHBondContact O-CB 3.34Å; E60-L63 PolarHBondContact O-N 3.15Å; E60-L63 VanDerWaalsContact O-N 3.09Å
61E85.7Confident86.6Confident99 Ų9958 Ų5846%0.46328%0.284SS..G310 helixtrans-63.5-18.5-179.4-5485.117200112.8A59 L63 L64 I730A59-E61 WeakPolarHBondContact CA-OE2 3.41Å; A59-E61 WeakPolarHBondContact CB-OE2 3.46Å; A59-E61 PolarHBondContact O-N 2.93Å; E61-L63 PolarHBondContact O-N 3.3Å; E61-L63 VanDerWaalsContact O-N 3.14Å; E61-L64 VanDerWaalsContact O-CB 3.29Å; E61-L64 WeakPolarHBondContact O-CB 3.07Å; E61-L64 WeakPolarHBondContact O-CG 3.47Å; E61-L64 PolarHBondContact O-N 3.25Å; E61-I730 HydrophobicContact CB-CD1 4.39Å
62V90.4Very high86.7Confident1 Ų156.8 Ų56.81%0.00628%0.277CS..G310 helixtrans-59.1-24.7174.2-59.80000112M10 A59 E60 L64 L65 C66 F88 C90 I193M10-V62 HydrophobicContact CE-CG2 4.39Å; M10-V62 HydrophobicContact SD-CG2 4.09Å; A59-V62 HydrophobicContact CB-CG1 4.17Å; A59-V62 WeakPolarHBondContact O-CG1 3.43Å; A59-V62 WeakPolarHBondContact O-CG2 3.14Å; A59-V62 PolarHBondContact O-N 3.48Å; E60-V62 PolarHBondContact O-N 2.98Å; E60-V62 VanDerWaalsContact O-N 3.11Å; V62-L64 PolarHBondContact O-N 2.93Å; V62-L65 WeakPolarHBondContact O-CA 3.3Å; V62-L65 WeakPolarHBondContact O-CB 3.42Å; V62-L65 PolarHBondContact O-N 2.89Å; V62-C66 PolarHBondContact O-N 2.68Å; V62-C66 PolarHBondContact O-SG 3.36Å; V62-F88 HydrophobicContact CB-CE2 3.91Å; V62-F88 HydrophobicContact CB-CZ 4.07Å; V62-F88 HydrophobicContact CG1-CE2 3.99Å; V62-F88 HydrophobicContact CG1-CZ 4.46Å; V62-C90 HydrophobicContact CG1-CB 4.12Å; V62-I193 HydrophobicContact CG2-CD1 4.06Å
63L92.6Very high87.3Confident12 Ų1249.3 Ų49.36%0.06324%0.242CC..Hα-helixtrans-57.7-31.6175.4-176.365.4000112.4M10 P43 V45 E60 E61 L65 C66 M67M10-L63 HydrophobicContact CE-CD1 4.03Å; P43-L63 HydrophobicContact CB-CD1 4.39Å; P43-L63 HydrophobicContact CB-CD2 3.9Å; P43-L63 HydrophobicContact CB-CG 4.11Å; P43-L63 HydrophobicContact CG-CD2 4.15Å; P43-L63 HydrophobicContact CG-CG 4.23Å; V45-L63 HydrophobicContact CG2-CB 4.18Å; V45-L63 HydrophobicContact CG2-CD2 3.91Å; E60-L63 WeakPolarHBondContact O-CB 3.34Å; E60-L63 PolarHBondContact O-N 3.15Å; E60-L63 VanDerWaalsContact O-N 3.09Å; E61-L63 PolarHBondContact O-N 3.3Å; E61-L63 VanDerWaalsContact O-N 3.14Å; L63-L65 PolarHBondContact O-N 3.16Å; L63-C66 HydrophobicContact CD1-CB 4.41Å; L63-C66 PolarHBondContact O-N 3.12Å; L63-C66 VanDerWaalsContact O-N 3.16Å; L63-M67 PolarHBondContact O-N 3.47Å
64L89.5Confident87.7Confident45 Ų4550 Ų5024%0.23624%0.244CC..Hα-helixtrans-62.8-26.5174.9-58.5174.5000112.2W24 E61 V62 P68 P329W24-L64 HydrophobicContact CH2-CD2 3.43Å; W24-L64 VanDerWaalsContact CH2-CD2 3.43Å; W24-L64 HydrophobicContact CZ2-CD2 3.29Å; E61-L64 VanDerWaalsContact O-CB 3.29Å; E61-L64 WeakPolarHBondContact O-CB 3.07Å; E61-L64 WeakPolarHBondContact O-CG 3.47Å; E61-L64 PolarHBondContact O-N 3.25Å; V62-L64 PolarHBondContact O-N 2.93Å; L64-P68 WeakPolarHBondContact O-CA 3.37Å; L64-P68 WeakPolarHBondContact O-CB 3.36Å; L64-P329 HydrophobicContact CB-CG 4.24Å
65L92.4Very high88.5Confident21 Ų2139 Ų3911%0.1120%0.204CC..Hα-helixtrans-91.5-27.6176.3-53.1175.7000111.5V62 L63 H86 F88 V89 C90 I327 P329V62-L65 WeakPolarHBondContact O-CA 3.3Å; V62-L65 WeakPolarHBondContact O-CB 3.42Å; V62-L65 PolarHBondContact O-N 2.89Å; L63-L65 PolarHBondContact O-N 3.16Å; L65-H86 PolarHBondContact O-NE2 3.46Å; L65-H86 VanDerWaalsContact O-NE2 3.07Å; L65-F88 HydrophobicContact CB-CB 3.83Å; L65-F88 HydrophobicContact CB-CD2 4.13Å; L65-F88 HydrophobicContact CB-CG 4Å; L65-F88 HydrophobicContact CD1-CB 4.38Å; L65-F88 HydrophobicContact CD1-CD2 3.8Å; L65-F88 HydrophobicContact CD1-CG 4.41Å; L65-V89 WeakPolarHBondContact CD1-O 3.46Å; L65-C90 HydrophobicContact CD1-CB 3.82Å; L65-I327 WeakPolarHBondContact CD2-O 3.16Å; L65-P329 HydrophobicContact CD2-CG 4.39Å
66C94.3Very high89.2Confident1 Ų138.5 Ų38.51%0.00718%0.18CC..Hα-helixtrans-73.5-36.1174.1-53.40000112.3M10 V62 L63 H86 V102 V191M10-C66 HydrophobicContact CE-CB 4.41Å; V62-C66 PolarHBondContact O-N 2.68Å; V62-C66 PolarHBondContact O-SG 3.36Å; L63-C66 HydrophobicContact CD1-CB 4.41Å; L63-C66 PolarHBondContact O-N 3.12Å; L63-C66 VanDerWaalsContact O-N 3.16Å; C66-H86 PolarHBondContact O-CE1 3.04Å; C66-H86 PolarHBondContact O-NE2 3.41Å; C66-V102 HydrophobicContact CB-CG1 4.03Å; C66-V102 HydrophobicContact CB-CG2 3.9Å; C66-V191 HydrophobicContact CB-CG2 4.2Å
67M92.7Very high89.6Confident8 Ų840.8 Ų40.84%0.03919%0.193CC..SBendtrans-13368.6178-64.9-166177.300110.6G12 P43 L63 K69 G70 V71 C189G12-M67 WeakPolarHBondContact O-CE 3.31Å; P43-M67 HydrophobicContact CB-CB 4.21Å; P43-M67 HydrophobicContact CB-SD 3.91Å; P43-M67 HydrophobicContact CG-CB 4.39Å; L63-M67 PolarHBondContact O-N 3.47Å; M67-K69 PolarHBondContact O-N 2.91Å; M67-K69 VanDerWaalsContact O-N 3.13Å; M67-G70 WeakPolarHBondContact O-CA 3.36Å; M67-G70 PolarHBondContact O-N 2.8Å; M67-V71 HydrophobicContact SD-CG2 4.11Å; M67-C189 HydrophobicContact CE-CB 3.67Å; M67-C189 WeakPolarHBondContact CE-SG 3.39Å
68P88.7Confident89.8Confident7 Ų737.7 Ų37.75%0.04518%0.179CC..THydrogen-bonded Turntrans-65.8-19.9-174.726.6-34.9000113.9L64 L301 I327 C330L64-P68 WeakPolarHBondContact O-CA 3.37Å; L64-P68 WeakPolarHBondContact O-CB 3.36Å; P68-L301 HydrophobicContact CG-CD1 3.59Å; P68-L301 HydrophobicContact CG-CD2 3.62Å; P68-L301 HydrophobicContact CG-CG 4.27Å; P68-I327 HydrophobicContact CB-CG2 3.83Å; P68-I327 HydrophobicContact CG-CG2 3.87Å; P68-C330 PolarHBondContact O-N 3.38Å; P68-C330 PolarHBondContact O-SG 2.96Å; P68-C330 VanDerWaalsContact O-SG 3.42Å
69K85.6Confident89.9Confident28 Ų2837.6 Ų37.612%0.12218%0.182CC..THydrogen-bonded Turntrans-101.318.9173-64.2-178.4173.7174.50112.3S40 M67 C347 Y348 D349S40-K69 WeakPolarHBondContact CB-O 3.45Å; S40-K69 PolarHBondContact OG-O 3.25Å; M67-K69 PolarHBondContact O-N 2.91Å; M67-K69 VanDerWaalsContact O-N 3.13Å; K69-C347 WeakPolarHBondContact CE-O 3.29Å; K69-C347 WeakPolarHBondContact CE-SG 3.15Å; K69-C347 PolarHBondContact NZ-O 3.06Å; K69-C347 PolarHBondContact NZ-SG 3.08Å; K69-Y348 PolarHBondContact NZ-O 2.91Å; K69-D349 IonicContact NZ-OD1 3.74Å; K69-D349 PolarHBondContact NZ-OD1 2.8Å; K69-D349 IonicContact NZ-OD2 2.65Å
70G89.2Confident89.9Confident5 Ų540.2 Ų40.25%0.05220%0.196CC..  trans62.2-167.5-175.800000114Y41 M67Y41-G70 CarbonylContact O-C 3.53Å; Y41-G70 VanDerWaalsContact O-CA 3.3Å; Y41-G70 WeakPolarHBondContact O-CA 3.3Å; M67-G70 WeakPolarHBondContact O-CA 3.36Å; M67-G70 PolarHBondContact O-N 2.8Å
71V92.6Very high89.9Confident0 Ų042.4 Ų42.40%020%0.204CC..BIsolated β-bridgetrans-72.2137.1169.8171.70000109.4L14 Y41 P43 M67 F73 V186 S187L14-V71 HydrophobicContact CB-CG1 4.12Å; L14-V71 HydrophobicContact CB-CG2 4.37Å; L14-V71 HydrophobicContact CD1-CG1 4.35Å; Y41-V71 PolarHBondContact N-O 2.7Å; Y41-V71 PolarHBondContact O-N 2.81Å; P43-V71 HydrophobicContact CB-CG2 3.9Å; M67-V71 HydrophobicContact SD-CG2 4.11Å; V71-F73 HydrophobicContact CG1-CE2 4.38Å; V71-V186 HydrophobicContact CG1-CG2 3.44Å; V71-V186 VanDerWaalsContact CG1-CG2 3.44Å; V71-S187 WeakPolarHBondContact CA-OG 3.36Å
72R92.1Very high90.1Very high70 Ų7043.6 Ų43.626%0.26421%0.209SC..  trans-123.8147.2175.2-65.2-169.8-65170.8-3.5111.1S187R72-S187 PolarHBondContact N-OG 3.26Å; R72-S187 PolarHBondContact O-N 2.89Å; R72-S187 PolarHBondContact O-OG 3.36Å
73F93.7Very high90.3Very high0 Ų044.3 Ų44.30%021%0.214CC..EExtended strand (participates in β ladder)trans-103.9152.3173.2-67.7-90.6000110.9L14 I21 I37 Y41 V71 V109 V114 M118 L184 Y185 V186L14-F73 HydrophobicContact CD2-CE1 4.22Å; L14-F73 HydrophobicContact CD2-CZ 3.7Å; I21-F73 HydrophobicContact CD1-CZ 4.36Å; I21-F73 HydrophobicContact CG2-CE2 4.24Å; I37-F73 HydrophobicContact CG1-CB 4.12Å; I37-F73 WeakPolarHBondContact CG1-O 3.21Å; Y41-F73 AromaticContact CD2-CD2 3.52Å; Y41-F73 HydrophobicContact CD2-CD2 3.52Å; Y41-F73 AromaticContact CD2-CE2 3.52Å; Y41-F73 HydrophobicContact CD2-CE2 3.52Å; Y41-F73 AromaticContact CE2-CD2 3.47Å; Y41-F73 HydrophobicContact CE2-CD2 3.47Å; Y41-F73 VanDerWaalsContact CE2-CD2 3.47Å; Y41-F73 AromaticContact CE2-CE2 3.75Å; Y41-F73 HydrophobicContact CE2-CE2 3.75Å; Y41-F73 HydrophobicContact CG-CD2 4.47Å; Y41-F73 HydrophobicContact CG-CE2 4.05Å; V71-F73 HydrophobicContact CG1-CE2 4.38Å; F73-V109 HydrophobicContact CE1-CG2 4.36Å; F73-V114 HydrophobicContact CE1-CG1 3.77Å; F73-V114 HydrophobicContact CZ-CG1 4.03Å; F73-M118 HydrophobicContact CB-CE 4.28Å; F73-M118 HydrophobicContact CD1-CE 3.96Å; F73-M118 HydrophobicContact CD2-CE 3.26Å; F73-M118 HydrophobicContact CE1-CE 4.01Å; F73-M118 HydrophobicContact CE2-CE 3.32Å; F73-M118 HydrophobicContact CG-CE 3.57Å; F73-M118 HydrophobicContact CZ-CE 3.69Å; F73-L184 HydrophobicContact CB-CD1 4.05Å; F73-L184 HydrophobicContact CD1-CD1 3.89Å; F73-L184 HydrophobicContact CD1-CD2 3.99Å; F73-L184 HydrophobicContact CD1-CG 3.92Å; F73-L184 HydrophobicContact CE1-CD2 4.18Å; F73-L184 HydrophobicContact CG-CD1 4.35Å; F73-Y185 CarbonylContact C-O 3.5Å; F73-Y185 VanDerWaalsContact CA-O 3.24Å; F73-Y185 WeakPolarHBondContact CA-O 3.5Å; F73-V186 HydrophobicContact CD1-CB 3.95Å; F73-V186 HydrophobicContact CD1-CG2 4.06Å; F73-V186 HydrophobicContact CE1-CB 3.83Å; F73-V186 HydrophobicContact CE1-CG2 3.69Å; F73-V186 HydrophobicContact CZ-CG2 4.04Å
74R92.8Very high90.5Very high48 Ų4846.8 Ų46.818%0.18123%0.233CC..EExtended strand (participates in β ladder)trans-142.5153175.5-66-65.2-178.6-168.82.9109.6D38 V79 Y106 Y185D38-R74 IonicContact OD1-NH1 3.2Å; D38-R74 PolarHBondContact OD1-NH1 3.12Å; R74-V79 HydrophobicContact CB-CB 4Å; R74-V79 HydrophobicContact CB-CG2 4.39Å; R74-Y106 HydrophobicContact CB-CD1 4.22Å; R74-Y106 HydrophobicContact CB-CE1 4.16Å; R74-Y106 HydrophobicContact CG-CD1 3.93Å; R74-Y106 HydrophobicContact CG-CE1 3.4Å; R74-Y106 HydrophobicContact CG-CE2 4.46Å; R74-Y185 PolarHBondContact N-O 3.03Å; R74-Y185 WeakPolarHBondContact O-CB 2.8Å; R74-Y185 PolarHBondContact O-N 3.18Å
75T91.8Very high90.9Very high8 Ų845.3 Ų45.35%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-89.2167.7164.864.10000110.4I37 K77 T78 V79 Y177 D182 E183I37-T75 HydrophobicContact CD1-CG2 3.35Å; T75-K77 PolarHBondContact O-N 2.75Å; T75-K77 PolarHBondContact OG1-N 3.39Å; T75-T78 PolarHBondContact N-OG1 3.37Å; T75-T78 PolarHBondContact O-N 2.9Å; T75-T78 PolarHBondContact O-OG1 3.01Å; T75-T78 PolarHBondContact OG1-OG1 3.39Å; T75-V79 WeakPolarHBondContact O-CB 3.42Å; T75-V79 PolarHBondContact O-N 3.21Å; T75-Y177 HydrophobicContact CG2-CD2 3.99Å; T75-D182 HydrophobicContact CG2-CB 4.15Å; T75-E183 WeakPolarHBondContact CA-O 3.29Å
76Q88.9Confident91.2Very high68 Ų6844.5 Ų44.532%0.31822%0.22SC..THydrogen-bonded Turntrans-53.1-20.5169.675.1-75.316.800114.1C181 D182 E183 Y185Q76-C181 PolarHBondContact NE2-O 2.84Å; Q76-D182 PolarHBondContact NE2-OD1 3.44Å; Q76-E183 HydrophobicContact CB-CB 4.37Å; Q76-E183 PolarHBondContact N-O 2.87Å; Q76-E183 PolarHBondContact OE1-O 3.45Å; Q76-Y185 HydrophobicContact CB-CE2 3.99Å
77K86.5Confident91.4Very high144 Ų14444.6 Ų44.663%0.62622%0.22SC*.THydrogen-bonded Turntrans-84.8-25.9178.2-58.6169.6-166.8143.20113.1T75 D182T75-K77 PolarHBondContact O-N 2.75Å; T75-K77 PolarHBondContact OG1-N 3.39Å; K77-D182 WeakPolarHBondContact CE-OD1 3.3Å; K77-D182 IonicContact NZ-OD1 3.77Å; K77-D182 PolarHBondContact NZ-OD1 3.41Å; K77-D182 IonicContact NZ-OD2 3.67Å
78T87.1Confident91.5Very high59 Ų5944.3 Ų44.336%0.36222%0.219SC..THydrogen-bonded Turntrans-115.7-11.8-171.454.80000113.8T75T75-T78 PolarHBondContact N-OG1 3.37Å; T75-T78 PolarHBondContact O-N 2.9Å; T75-T78 PolarHBondContact O-OG1 3.01Å; T75-T78 PolarHBondContact OG1-OG1 3.39Å
79V89.4Confident91.8Very high34 Ų3444.5 Ų44.521%0.20622%0.22CC..  trans-63.9137.2-178.867.70000110.7R74 T75 Y106 Y185R74-V79 HydrophobicContact CB-CB 4Å; R74-V79 HydrophobicContact CB-CG2 4.39Å; T75-V79 WeakPolarHBondContact O-CB 3.42Å; T75-V79 PolarHBondContact O-N 3.21Å; V79-Y106 VanDerWaalsContact CG2-CB 3.46Å; V79-Y106 HydrophobicContact CG2-CD1 4.47Å; V79-Y106 HydrophobicContact CG2-CD2 4.12Å; V79-Y106 HydrophobicContact CG2-CG 3.78Å; V79-Y185 HydrophobicContact CB-CG 4.44Å; V79-Y185 HydrophobicContact CG2-CD1 4.24Å; V79-Y185 HydrophobicContact CG2-CG 4.14Å
80T86.5Confident91.9Very high68 Ų6843.4 Ų43.442%0.41722%0.216SC..  trans-74.2133.7176.851.90000109.8E82 Y106T80-E82 VanDerWaalsContact C-N 3.33Å; T80-E82 PolarHBondContact O-N 2.86Å; T80-Y106 WeakPolarHBondContact OG1-CD2 3.29Å; T80-Y106 WeakPolarHBondContact OG1-CE2 3.41Å
81K85.5Confident91.6Very high164 Ų16444.1 Ų44.171%0.71322%0.219SC*.SBendtrans-75.1-20.2-176.4-64.9-177.2178.5-178.90114.4Q671 F672K81-Q671 PolarHBondContact O-NE2 2.83Å; K81-Q671 PolarHBondContact O-OE1 3.38Å; K81-Q671 VanDerWaalsContact O-OE1 3.14Å; K81-F672 WeakPolarHBondContact O-CE2 3.4Å
82E90.2Very high90.8Very high124 Ų12447.4 Ų47.458%0.57923%0.231SC*.SBendtrans-122144.3-178.1-69-61.2155.700110.3T80T80-E82 VanDerWaalsContact C-N 3.33Å; T80-E82 PolarHBondContact O-N 2.86Å
83P95.2Very high89.7Confident17 Ų1747.1 Ų47.111%0.1124%0.24CC..PPolyproline II helixtrans-66138.9172.6-18.834.1000110.9L103 T104 F105 L210 F672P83-L103 HydrophobicContact CB-CD1 3.78Å; P83-L103 HydrophobicContact CB-CD2 4.44Å; P83-L103 HydrophobicContact CB-CG 3.99Å; P83-T104 CarbonylContact C-O 3.53Å; P83-T104 VanDerWaalsContact CA-O 3.26Å; P83-T104 WeakPolarHBondContact CA-O 3.38Å; P83-F105 HydrophobicContact CB-CB 4.06Å; P83-F105 HydrophobicContact CG-CB 4.25Å; P83-L210 HydrophobicContact CB-CD2 4.07Å; P83-L210 HydrophobicContact CG-CD2 3.54Å; P83-F672 VanDerWaalsContact CD-CZ 3.46Å; P83-F672 HydrophobicContact CG-CD1 4.27Å; P83-F672 HydrophobicContact CG-CE1 3.7Å; P83-F672 HydrophobicContact CG-CE2 4.03Å; P83-F672 HydrophobicContact CG-CZ 3.58Å
84S95.9Very high88.5Confident64 Ų6451.8 Ų51.845%0.44827%0.265SS..EExtended strand (participates in β ladder)trans-90.6127.6173.358.80000110.2T104S84-T104 PolarHBondContact N-O 2.89Å; S84-T104 PolarHBondContact O-N 2.85Å; S84-T104 PolarHBondContact OG-O 2.95Å
85F98Very high87.4Confident14 Ų1451.2 Ų51.26%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-102.2137.1173174.3-101000109.8T87 V102 L103 V199 E203 L206 Q302F85-T87 HydrophobicContact CE1-CG2 3.89Å; F85-T87 HydrophobicContact CZ-CG2 3.71Å; F85-V102 CarbonylContact C-O 3.5Å; F85-V102 VanDerWaalsContact CA-O 3.29Å; F85-V102 WeakPolarHBondContact CA-O 3.37Å; F85-V102 VanDerWaalsContact CD2-O 3.24Å; F85-V102 WeakPolarHBondContact CD2-O 3.37Å; F85-L103 HydrophobicContact CB-CD1 3.97Å; F85-V199 HydrophobicContact CE1-CG1 4.12Å; F85-E203 HydrophobicContact CB-CG 4.23Å; F85-E203 HydrophobicContact CD1-CB 3.95Å; F85-E203 VanDerWaalsContact CD1-CD 3.47Å; F85-E203 HydrophobicContact CD1-CG 3.66Å; F85-E203 HydrophobicContact CD2-CB 4.01Å; F85-E203 HydrophobicContact CD2-CG 3.93Å; F85-E203 HydrophobicContact CE1-CB 3.68Å; F85-E203 HydrophobicContact CE1-CG 3.94Å; F85-E203 HydrophobicContact CE2-CB 3.74Å; F85-E203 HydrophobicContact CE2-CG 4.19Å; F85-E203 HydrophobicContact CG-CB 4.1Å; F85-E203 HydrophobicContact CG-CG 3.66Å; F85-E203 HydrophobicContact CZ-CB 3.57Å; F85-E203 HydrophobicContact CZ-CG 4.2Å; F85-L206 HydrophobicContact CE2-CD1 4.27Å; F85-Q302 WeakPolarHBondContact O-CB 3.41Å
86H98.3Very high86.6Confident4 Ų453 Ų532%0.01929%0.287CS..EExtended strand (participates in β ladder)trans-146.4160.6164.869.5-78.9000110.6L65 C66 V102 L301 Q302L65-H86 PolarHBondContact O-NE2 3.46Å; L65-H86 VanDerWaalsContact O-NE2 3.07Å; C66-H86 PolarHBondContact O-CE1 3.04Å; C66-H86 PolarHBondContact O-NE2 3.41Å; H86-V102 VanDerWaalsContact CE1-CG1 3.47Å; H86-V102 WeakPolarHBondContact CE1-CG1 3.44Å; H86-V102 PolarHBondContact N-O 3.21Å; H86-V102 WeakPolarHBondContact O-CA 3.49Å; H86-V102 WeakPolarHBondContact O-CB 3.46Å; H86-V102 PolarHBondContact O-N 3.25Å; H86-L301 HydrophobicContact CB-CB 3.72Å; H86-Q302 HydrophobicContact CB-CB 4.02Å
87T98.2Very high86.5Confident3 Ų353.6 Ų53.62%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-100.8168.217447.20000110.4F85 G100 V199 Y267 Q302 M305 I327F85-T87 HydrophobicContact CE1-CG2 3.89Å; F85-T87 HydrophobicContact CZ-CG2 3.71Å; T87-G100 CarbonylContact C-O 3.56Å; T87-G100 WeakPolarHBondContact CA-O 3.49Å; T87-V199 HydrophobicContact CG2-CB 4.5Å; T87-V199 HydrophobicContact CG2-CG1 4.1Å; T87-V199 HydrophobicContact CG2-CG2 4.22Å; T87-Y267 WeakPolarHBondContact CB-OH 3.35Å; T87-Y267 HydrophobicContact CG2-CE1 4.46Å; T87-Y267 WeakPolarHBondContact OG1-CE1 3.42Å; T87-Y267 PolarHBondContact OG1-OH 3.15Å; T87-Q302 PolarHBondContact OG1-OE1 3.01Å; T87-M305 WeakPolarHBondContact O-CG 3.31Å; T87-M305 WeakPolarHBondContact OG1-CB 3.41Å; T87-I327 WeakPolarHBondContact O-CD1 3.26Å
88F96.4Very high86.6Confident1 Ų148 Ų480%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-146.4163.7167.868.8-89.2000111.1V62 L65 C90 Y99 G100 V102 V191 I193 I327V62-F88 HydrophobicContact CB-CE2 3.91Å; V62-F88 HydrophobicContact CB-CZ 4.07Å; V62-F88 HydrophobicContact CG1-CE2 3.99Å; V62-F88 HydrophobicContact CG1-CZ 4.46Å; L65-F88 HydrophobicContact CB-CB 3.83Å; L65-F88 HydrophobicContact CB-CD2 4.13Å; L65-F88 HydrophobicContact CB-CG 4Å; L65-F88 HydrophobicContact CD1-CB 4.38Å; L65-F88 HydrophobicContact CD1-CD2 3.8Å; L65-F88 HydrophobicContact CD1-CG 4.41Å; F88-C90 HydrophobicContact CE2-CB 4.5Å; F88-Y99 WeakPolarHBondContact O-CA 3.44Å; F88-G100 PolarHBondContact N-O 3.5Å; F88-G100 PolarHBondContact O-N 2.83Å; F88-G100 VanDerWaalsContact O-N 3.08Å; F88-V102 HydrophobicContact CD1-CG2 3.51Å; F88-V102 HydrophobicContact CE1-CG2 3.65Å; F88-V191 HydrophobicContact CE1-CG1 3.74Å; F88-V191 HydrophobicContact CZ-CG1 4.19Å; F88-I193 HydrophobicContact CZ-CG1 4.46Å; F88-I327 HydrophobicContact CB-CD1 4.4Å
89V93.1Very high87Confident11 Ų1146.6 Ų46.67%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-131127.5169.460.10000108.6L65 R97 I98 Y99 M305 Y324 P326L65-V89 WeakPolarHBondContact CD1-O 3.46Å; V89-R97 HydrophobicContact CG2-CB 4.14Å; V89-R97 HydrophobicContact CG2-CG 4.39Å; V89-I98 CarbonylContact C-O 3.57Å; V89-I98 WeakPolarHBondContact CA-O 3.17Å; V89-Y99 HydrophobicContact CB-CD1 3.94Å; V89-Y99 HydrophobicContact CB-CE1 4.03Å; V89-Y99 HydrophobicContact CG2-CD1 3.79Å; V89-Y99 HydrophobicContact CG2-CE1 3.53Å; V89-M305 HydrophobicContact CB-CE 4.18Å; V89-M305 HydrophobicContact CG1-CE 3.87Å; V89-M305 HydrophobicContact CG1-SD 4.43Å; V89-Y324 HydrophobicContact CG1-CD1 4.24Å; V89-Y324 HydrophobicContact CG1-CE1 3.7Å; V89-P326 HydrophobicContact CG1-CG 3.77Å
90C89.4Confident87.3Confident6 Ų645.1 Ų45.14%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-110.7119.2173.6-178.10000108.1V62 L65 F88 R97 I98V62-C90 HydrophobicContact CG1-CB 4.12Å; L65-C90 HydrophobicContact CD1-CB 3.82Å; F88-C90 HydrophobicContact CE2-CB 4.5Å; C90-R97 WeakPolarHBondContact O-CA 3.37Å; C90-I98 HydrophobicContact CB-CB 4.37Å; C90-I98 PolarHBondContact N-O 3.49Å; C90-I98 PolarHBondContact O-N 3.11Å
91V82.7Confident87.8Confident19 Ų1941.9 Ų41.912%0.11522%0.223CC..EExtended strand (participates in β ladder)trans-93.7121.4175.6-1620000108.6R97 P728 I730V91-R97 HydrophobicContact CG1-CG 4.33Å; V91-R97 HydrophobicContact CG2-CG 4.36Å; V91-P728 CarbonylContact C-O 3.1Å; V91-P728 HydrophobicContact CB-CB 4.31Å; V91-P728 HydrophobicContact CG1-CB 3.5Å; V91-P728 VanDerWaalsContact CG1-CB 3.5Å; V91-P728 HydrophobicContact CG1-CG 3.51Å; V91-I730 WeakPolarHBondContact O-CG1 3.11Å
92R75.7Confident88.4Confident69 Ų6934 Ų3426%0.2619%0.189SC..  trans-84.9162.4180-59.1-178.389.7-162.6-1.7110.1D94 G95 S96 I98 P728R92-D94 VanDerWaalsContact CB-OD1 3.31Å; R92-D94 WeakPolarHBondContact CB-OD1 3.39Å; R92-D94 PolarHBondContact O-N 2.87Å; R92-D94 VanDerWaalsContact O-N 3.1Å; R92-G95 PolarHBondContact O-N 3.26Å; R92-S96 WeakPolarHBondContact CD-OG 3.4Å; R92-S96 PolarHBondContact N-O 2.95Å; R92-I98 HydrophobicContact CG-CD1 4.04Å; R92-I98 HydrophobicContact CG-CG1 4.33Å; R92-P728 CarbonylContact C-O 3.59Å; R92-P728 VanDerWaalsContact O-CD 3.32Å; R92-P728 WeakPolarHBondContact O-CD 3.35Å
93S67.9Low88.8Confident65 Ų6528.1 Ų28.146%0.45516%0.161SC..THydrogen-bonded Turntrans-54.3-30.6179.155.70000114G95 D727 P728S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 3.01Å; S93-D727 VanDerWaalsContact O-OD1 3.05Å; S93-P728 WeakPolarHBondContact O-CD 3.25Å
94D68.6Low88.9Confident98 Ų9828.2 Ų28.252%0.52416%0.162SC..THydrogen-bonded Turntrans-80.32.9-179.767.6-11.5000114.7R92 S96R92-D94 VanDerWaalsContact CB-OD1 3.31Å; R92-D94 WeakPolarHBondContact CB-OD1 3.39Å; R92-D94 PolarHBondContact O-N 2.87Å; R92-D94 VanDerWaalsContact O-N 3.1Å; D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 VanDerWaalsContact CG-OG 3.3Å; D94-S96 VanDerWaalsContact OD1-CB 3.24Å; D94-S96 WeakPolarHBondContact OD1-CB 3.29Å; D94-S96 PolarHBondContact OD1-N 2.88Å; D94-S96 PolarHBondContact OD1-OG 2.85Å; D94-S96 PolarHBondContact OD2-OG 3.31Å
95G69.3Low89Confident36 Ų3625.2 Ų25.237%0.37114%0.141SC..SBendtrans93.4-18.1-174.300000114.1R92 S93 P728R92-G95 PolarHBondContact O-N 3.26Å; S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 3.01Å; G95-P728 VanDerWaalsContact CA-CG 3.46Å
96S76.9Confident88.8Confident44 Ų4425.2 Ų25.231%0.30814%0.14SC..  trans-72.8149.3-176.171.80000111.5R92 D94R92-S96 WeakPolarHBondContact CD-OG 3.4Å; R92-S96 PolarHBondContact N-O 2.95Å; D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 VanDerWaalsContact CG-OG 3.3Å; D94-S96 VanDerWaalsContact OD1-CB 3.24Å; D94-S96 WeakPolarHBondContact OD1-CB 3.29Å; D94-S96 PolarHBondContact OD1-N 2.88Å; D94-S96 PolarHBondContact OD1-OG 2.85Å; D94-S96 PolarHBondContact OD2-OG 3.31Å
97R86Confident88.5Confident82 Ų8226.2 Ų26.231%0.30915%0.145SC..EExtended strand (participates in β ladder)trans-111.7131.2-179.1-61.2-178.3-177.9-166.60.9109.6V89 C90 V91 Y99V89-R97 HydrophobicContact CG2-CB 4.14Å; V89-R97 HydrophobicContact CG2-CG 4.39Å; C90-R97 WeakPolarHBondContact O-CA 3.37Å; V91-R97 HydrophobicContact CG1-CG 4.33Å; V91-R97 HydrophobicContact CG2-CG 4.36Å; R97-Y99 HydrophobicContact CB-CE2 3.75Å; R97-Y99 VanDerWaalsContact CD-OH 3.27Å; R97-Y99 WeakPolarHBondContact CD-OH 2.85Å
98I89.4Confident88.3Confident27 Ų2727.4 Ų27.414%0.13815%0.151CC..EExtended strand (participates in β ladder)trans-104.9135.1167.6-63.9174.5000107V89 C90 R92 I193V89-I98 CarbonylContact C-O 3.57Å; V89-I98 WeakPolarHBondContact CA-O 3.17Å; C90-I98 HydrophobicContact CB-CB 4.37Å; C90-I98 PolarHBondContact N-O 3.49Å; C90-I98 PolarHBondContact O-N 3.11Å; R92-I98 HydrophobicContact CG-CD1 4.04Å; R92-I98 HydrophobicContact CG-CG1 4.33Å; I98-I193 HydrophobicContact CG2-CG2 3.28Å
99Y94.1Very high88Confident28 Ų2828.3 Ų28.311%0.1116%0.157CC..EExtended strand (participates in β ladder)trans-112.8163.4177.5-59-85.4000109.9F88 V89 R97 I193 T194 L196 P197F88-Y99 WeakPolarHBondContact O-CA 3.44Å; V89-Y99 HydrophobicContact CB-CD1 3.94Å; V89-Y99 HydrophobicContact CB-CE1 4.03Å; V89-Y99 HydrophobicContact CG2-CD1 3.79Å; V89-Y99 HydrophobicContact CG2-CE1 3.53Å; R97-Y99 HydrophobicContact CB-CE2 3.75Å; R97-Y99 VanDerWaalsContact CD-OH 3.27Å; R97-Y99 WeakPolarHBondContact CD-OH 2.85Å; Y99-I193 CarbonylContact O-C 3.54Å; Y99-I193 WeakPolarHBondContact O-CA 3.49Å; Y99-T194 PolarHBondContact N-O 3.47Å; Y99-T194 PolarHBondContact O-N 3.33Å; Y99-L196 WeakPolarHBondContact CB-O 3.43Å; Y99-P197 HydrophobicContact CD1-CB 3.57Å; Y99-P197 HydrophobicContact CD1-CG 4.32Å; Y99-P197 HydrophobicContact CE1-CB 3.72Å; Y99-P197 HydrophobicContact CE1-CG 4.06Å; Y99-P197 HydrophobicContact CG-CB 4Å
100G95.6Very high87.7Confident3 Ų333 Ų333%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-166.5160167.500000114.1T87 F88 L192T87-G100 CarbonylContact C-O 3.56Å; T87-G100 WeakPolarHBondContact CA-O 3.49Å; F88-G100 PolarHBondContact N-O 3.5Å; F88-G100 PolarHBondContact O-N 2.83Å; F88-G100 VanDerWaalsContact O-N 3.08Å; G100-L192 CarbonylContact C-O 3.59Å; G100-L192 WeakPolarHBondContact CA-O 3.28Å
101G98Very high87.7Confident0 Ų034.6 Ų34.60%019%0.193CC..EExtended strand (participates in β ladder)trans-106.3138.8169.600000109.9V191 L192 L206G101-V191 VanDerWaalsContact O-CA 3.3Å; G101-V191 WeakPolarHBondContact O-CA 3.28Å; G101-L192 PolarHBondContact N-O 3.41Å; G101-L192 PolarHBondContact O-N 3.47Å; G101-L206 WeakPolarHBondContact O-CD1 3.46Å
102V98.4Very high88Confident0 Ų039.6 Ų39.60%022%0.219CC..EExtended strand (participates in β ladder)trans-127126.1-175.5-178.60000108.3C66 F85 H86 F88 C189 L190 V191C66-V102 HydrophobicContact CB-CG1 4.03Å; C66-V102 HydrophobicContact CB-CG2 3.9Å; F85-V102 CarbonylContact C-O 3.5Å; F85-V102 VanDerWaalsContact CA-O 3.29Å; F85-V102 WeakPolarHBondContact CA-O 3.37Å; F85-V102 VanDerWaalsContact CD2-O 3.24Å; F85-V102 WeakPolarHBondContact CD2-O 3.37Å; H86-V102 VanDerWaalsContact CE1-CG1 3.47Å; H86-V102 WeakPolarHBondContact CE1-CG1 3.44Å; H86-V102 PolarHBondContact N-O 3.21Å; H86-V102 WeakPolarHBondContact O-CA 3.49Å; H86-V102 WeakPolarHBondContact O-CB 3.46Å; H86-V102 PolarHBondContact O-N 3.25Å; F88-V102 HydrophobicContact CD1-CG2 3.51Å; F88-V102 HydrophobicContact CE1-CG2 3.65Å; V102-C189 HydrophobicContact CG1-CB 3.74Å; V102-L190 CarbonylContact C-O 3.39Å; V102-L190 WeakPolarHBondContact CA-O 3.33Å; V102-V191 HydrophobicContact CB-CG2 4.37Å; V102-V191 HydrophobicContact CG1-CG2 4.05Å; V102-V191 HydrophobicContact CG2-CG1 4.07Å; V102-V191 HydrophobicContact CG2-CG2 3.95Å
103L98.3Very high88.6Confident0 Ų043.8 Ų43.80%024%0.235CC..EExtended strand (participates in β ladder)trans-113.1108.2172.2-170.371.8000108.8P83 F85 C189 L190 L206 R207 L210P83-L103 HydrophobicContact CB-CD1 3.78Å; P83-L103 HydrophobicContact CB-CD2 4.44Å; P83-L103 HydrophobicContact CB-CG 3.99Å; F85-L103 HydrophobicContact CB-CD1 3.97Å; L103-C189 CarbonylContact O-C 3.52Å; L103-C189 WeakPolarHBondContact O-CA 3.37Å; L103-L190 PolarHBondContact N-O 3.34Å; L103-L190 PolarHBondContact O-N 3.15Å; L103-L206 HydrophobicContact CB-CB 3.84Å; L103-L206 HydrophobicContact CB-CD1 3.97Å; L103-L206 HydrophobicContact CB-CG 4.42Å; L103-L206 HydrophobicContact CD2-CB 3.97Å; L103-L206 WeakPolarHBondContact CD2-O 3.31Å; L103-L206 HydrophobicContact CG-CB 4.48Å; L103-R207 HydrophobicContact CD1-CG 4.02Å; L103-R207 HydrophobicContact CD2-CG 4.06Å; L103-L210 HydrophobicContact CD2-CB 3.91Å; L103-L210 HydrophobicContact CD2-CD2 3.69Å; L103-L210 HydrophobicContact CD2-CG 4.45Å; L103-L210 HydrophobicContact CG-CD2 4.45Å
104T97.7Very high89.8Confident19 Ų1941.1 Ų41.112%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-99.7130.4179.8-55.80000110.3P83 S84 K188P83-T104 CarbonylContact C-O 3.53Å; P83-T104 VanDerWaalsContact CA-O 3.26Å; P83-T104 WeakPolarHBondContact CA-O 3.38Å; S84-T104 PolarHBondContact N-O 2.89Å; S84-T104 PolarHBondContact O-N 2.85Å; S84-T104 PolarHBondContact OG-O 2.95Å; T104-K188 CarbonylContact C-O 3.42Å; T104-K188 WeakPolarHBondContact CA-O 3.09Å
105F96.4Very high90.8Very high1 Ų137.7 Ų37.70%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-139.2173.9176.960.5-83.1000109.8P83 E107 S187 K188 L190 L210 F672 F674P83-F105 HydrophobicContact CB-CB 4.06Å; P83-F105 HydrophobicContact CG-CB 4.25Å; F105-E107 HydrophobicContact CE2-CB 4.29Å; F105-S187 WeakPolarHBondContact O-CA 3.47Å; F105-K188 HydrophobicContact CE1-CB 4.45Å; F105-K188 HydrophobicContact CE2-CB 4.18Å; F105-K188 HydrophobicContact CE2-CD 4.35Å; F105-K188 HydrophobicContact CZ-CB 4.02Å; F105-K188 HydrophobicContact CZ-CD 4.02Å; F105-K188 HydrophobicContact CZ-CG 4.11Å; F105-K188 PolarHBondContact N-O 3.34Å; F105-K188 PolarHBondContact O-N 3Å; F105-K188 VanDerWaalsContact O-O 3.11Å; F105-L190 HydrophobicContact CE1-CD1 4.39Å; F105-L190 HydrophobicContact CE1-CD2 4.3Å; F105-L190 HydrophobicContact CE1-CG 3.94Å; F105-L210 HydrophobicContact CB-CD2 4.2Å; F105-L210 HydrophobicContact CD1-CD1 3.94Å; F105-L210 HydrophobicContact CD1-CD2 3.89Å; F105-L210 HydrophobicContact CD2-CD1 4.3Å; F105-L210 HydrophobicContact CE1-CD1 3.83Å; F105-L210 HydrophobicContact CE2-CD1 4.17Å; F105-L210 HydrophobicContact CG-CD1 4.18Å; F105-L210 HydrophobicContact CG-CD2 4.04Å; F105-L210 HydrophobicContact CZ-CD1 3.93Å; F105-F672 HydrophobicContact CB-CB 4.3Å; F105-F672 HydrophobicContact CB-CD2 4.39Å; F105-F672 HydrophobicContact CB-CG 4.35Å; F105-F672 HydrophobicContact CD2-CB 3.57Å; F105-F672 HydrophobicContact CD2-CG 4.47Å; F105-F672 HydrophobicContact CE2-CB 4.26Å; F105-F672 HydrophobicContact CG-CB 4.17Å; F105-F674 HydrophobicContact CE2-CB 4.48Å; F105-F674 HydrophobicContact CZ-CB 3.71Å
106Y95.1Very high91.8Very high13 Ų1340.8 Ų40.85%0.05121%0.21CC..EExtended strand (participates in β ladder)trans-112.3128.3177.4-73.2-92000110.2R74 V79 T80 V186R74-Y106 HydrophobicContact CB-CD1 4.22Å; R74-Y106 HydrophobicContact CB-CE1 4.16Å; R74-Y106 HydrophobicContact CG-CD1 3.93Å; R74-Y106 HydrophobicContact CG-CE1 3.4Å; R74-Y106 HydrophobicContact CG-CE2 4.46Å; V79-Y106 VanDerWaalsContact CG2-CB 3.46Å; V79-Y106 HydrophobicContact CG2-CD1 4.47Å; V79-Y106 HydrophobicContact CG2-CD2 4.12Å; V79-Y106 HydrophobicContact CG2-CG 3.78Å; T80-Y106 WeakPolarHBondContact OG1-CD2 3.29Å; T80-Y106 WeakPolarHBondContact OG1-CE2 3.41Å; Y106-V186 WeakPolarHBondContact CA-O 3.43Å
107E92.1Very high92.4Very high25 Ų2543.1 Ų43.112%0.11721%0.212CC..EExtended strand (participates in β ladder)trans-107144.9178.4-167.2179152.100109.5F105 V109 Y185 V186 K188 H673F105-E107 HydrophobicContact CE2-CB 4.29Å; E107-V109 PolarHBondContact O-N 3.47Å; E107-Y185 CarbonylContact O-C 3.54Å; E107-Y185 VanDerWaalsContact O-CA 3.23Å; E107-Y185 WeakPolarHBondContact O-CA 3.41Å; E107-V186 PolarHBondContact N-O 3.28Å; E107-V186 PolarHBondContact O-N 3.45Å; E107-K188 WeakPolarHBondContact OE2-CD 3.26Å; E107-K188 IonicContact OE2-NZ 3.06Å; E107-K188 PolarHBondContact OE2-NZ 2.94Å; E107-H673 VanDerWaalsContact CD-ND1 3.32Å; E107-H673 HydrophobicContact CG-CB 4.36Å; E107-H673 IonicContact OE1-CE1 3.21Å; E107-H673 PolarHBondContact OE1-CE1 2.71Å; E107-H673 IonicContact OE1-CG 3.9Å; E107-H673 IonicContact OE1-ND1 2.81Å; E107-H673 PolarHBondContact OE1-ND1 3.07Å; E107-H673 IonicContact OE2-ND1 3.36Å
108L92.7Very high92.6Very high28 Ų2839.3 Ų39.315%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-65.6129.3174.1-178.770.3000109.3V110 E183 Y185L108-V110 PolarHBondContact O-N 3.4Å; L108-E183 HydrophobicContact CD1-CB 3.96Å; L108-E183 HydrophobicContact CD1-CG 4.41Å; L108-Y185 HydrophobicContact CB-CD1 4.35Å; L108-Y185 HydrophobicContact CB-CE1 4.07Å; L108-Y185 HydrophobicContact CD1-CE1 4.13Å; L108-Y185 HydrophobicContact CD1-CE2 4.04Å
109V91.4Very high92.8Very high21 Ų2139.4 Ų39.413%0.12720%0.198CC..  trans-73.7113.9176.9179.80000109F73 E107 V114 V115 L184 V186F73-V109 HydrophobicContact CE1-CG2 4.36Å; E107-V109 PolarHBondContact O-N 3.47Å; V109-V114 HydrophobicContact CG1-CB 3.73Å; V109-V114 HydrophobicContact CG1-CG1 3.76Å; V109-V115 HydrophobicContact CB-CG2 4.43Å; V109-V115 HydrophobicContact CG1-CG2 3.9Å; V109-L184 HydrophobicContact CB-CB 4.27Å; V109-L184 HydrophobicContact CB-CD2 4.35Å; V109-L184 HydrophobicContact CB-CG 4.34Å; V109-L184 WeakPolarHBondContact CB-O 3.26Å; V109-L184 HydrophobicContact CG1-CD2 4.44Å; V109-L184 HydrophobicContact CG2-CB 4.28Å; V109-L184 HydrophobicContact CG2-CD2 4.09Å; V109-L184 HydrophobicContact CG2-CG 3.9Å; V109-L184 WeakPolarHBondContact CG2-O 3.38Å; V109-L184 PolarHBondContact N-O 2.95Å; V109-V186 HydrophobicContact CG2-CB 3.76Å; V109-V186 HydrophobicContact CG2-CG1 3.74Å
110V86.8Confident92.6Very high110 Ų11040.2 Ų40.267%0.66721%0.21SC*.  trans-96.8-23.2177.5-172.80000112L108 D112L108-V110 PolarHBondContact O-N 3.4Å; V110-D112 PolarHBondContact O-N 2.85Å
111D88.5Confident92.3Very high38 Ų3842.2 Ų42.220%0.20322%0.22CC..  trans-75.5107.5178.3-166.5-27.1000110.6R113 V114 V115D111-R113 PolarHBondContact O-N 2.82Å; D111-R113 VanDerWaalsContact O-N 3.12Å; D111-R113 VanDerWaalsContact OD1-CB 3.22Å; D111-R113 WeakPolarHBondContact OD1-CB 3.43Å; D111-R113 WeakPolarHBondContact OD1-CG 3.08Å; D111-R113 PolarHBondContact OD1-N 3.35Å; D111-R113 IonicContact OD1-NE 2.8Å; D111-R113 PolarHBondContact OD1-NE 3.44Å; D111-R113 VanDerWaalsContact OD1-NE 3.13Å; D111-R113 IonicContact OD1-NH2 2.89Å; D111-R113 IonicContact OD2-CZ 3.16Å; D111-R113 IonicContact OD2-NE 2.69Å; D111-R113 PolarHBondContact OD2-NE 2.77Å; D111-R113 IonicContact OD2-NH2 2.75Å; D111-R113 PolarHBondContact OD2-NH2 2.89Å; D111-V114 HydrophobicContact CB-CG2 4.1Å; D111-V114 WeakPolarHBondContact O-CB 3.39Å; D111-V114 PolarHBondContact O-N 3.47Å; D111-V115 PolarHBondContact O-N 2.95Å
112D89Confident91.9Very high124 Ų12442.3 Ų42.366%0.66322%0.221SC*.Hα-helixtrans-56.2-27.3178.7-78.2-17.9000112.7V110 V114 V115 V116V110-D112 PolarHBondContact O-N 2.85Å; D112-V114 VanDerWaalsContact C-N 3.32Å; D112-V114 PolarHBondContact O-N 3.26Å; D112-V115 PolarHBondContact O-N 3.03Å; D112-V116 WeakPolarHBondContact O-CB 3.42Å; D112-V116 VanDerWaalsContact O-CG2 3.26Å; D112-V116 WeakPolarHBondContact O-CG2 3.36Å; D112-V116 PolarHBondContact O-N 2.94Å
113R89.5Confident91.5Very high157 Ų15745.3 Ų45.359%0.59224%0.237SC*.Hα-helixtrans-63-41.3177.1-63177.1-71.5173.92.1111.2D111 R117D111-R113 PolarHBondContact O-N 2.82Å; D111-R113 VanDerWaalsContact O-N 3.12Å; D111-R113 VanDerWaalsContact OD1-CB 3.22Å; D111-R113 WeakPolarHBondContact OD1-CB 3.43Å; D111-R113 WeakPolarHBondContact OD1-CG 3.08Å; D111-R113 PolarHBondContact OD1-N 3.35Å; D111-R113 IonicContact OD1-NE 2.8Å; D111-R113 PolarHBondContact OD1-NE 3.44Å; D111-R113 VanDerWaalsContact OD1-NE 3.13Å; D111-R113 IonicContact OD1-NH2 2.89Å; D111-R113 IonicContact OD2-CZ 3.16Å; D111-R113 IonicContact OD2-NE 2.69Å; D111-R113 PolarHBondContact OD2-NE 2.77Å; D111-R113 IonicContact OD2-NH2 2.75Å; D111-R113 PolarHBondContact OD2-NH2 2.89Å; R113-R117 VanDerWaalsContact O-CB 3.28Å; R113-R117 WeakPolarHBondContact O-CB 3.5Å; R113-R117 PolarHBondContact O-N 2.6Å
114V91.1Very high91Very high10 Ų1047.8 Ų47.86%0.06125%0.254CS..Hα-helixtrans-67.7-42.2178.1178.70000110.4L14 I21 F73 V109 D111 D112 R117 M118L14-V114 HydrophobicContact CD2-CG1 3.9Å; L14-V114 HydrophobicContact CD2-CG2 4.18Å; I21-V114 HydrophobicContact CD1-CG1 3.96Å; F73-V114 HydrophobicContact CE1-CG1 3.77Å; F73-V114 HydrophobicContact CZ-CG1 4.03Å; V109-V114 HydrophobicContact CG1-CB 3.73Å; V109-V114 HydrophobicContact CG1-CG1 3.76Å; D111-V114 HydrophobicContact CB-CG2 4.1Å; D111-V114 WeakPolarHBondContact O-CB 3.39Å; D111-V114 PolarHBondContact O-N 3.47Å; D112-V114 VanDerWaalsContact C-N 3.32Å; D112-V114 PolarHBondContact O-N 3.26Å; V114-R117 PolarHBondContact O-N 3.3Å; V114-M118 WeakPolarHBondContact O-CB 3.42Å; V114-M118 PolarHBondContact O-N 3.46Å
115V90.7Very high90.6Very high26 Ų2647.4 Ų47.416%0.15825%0.25CS..Hα-helixtrans-60.3-50.7176.31730000111.2V109 D111 D112 R117 M118 Q119 L184V109-V115 HydrophobicContact CB-CG2 4.43Å; V109-V115 HydrophobicContact CG1-CG2 3.9Å; D111-V115 PolarHBondContact O-N 2.95Å; D112-V115 PolarHBondContact O-N 3.03Å; V115-R117 VanDerWaalsContact C-N 3.32Å; V115-R117 PolarHBondContact O-N 3.26Å; V115-M118 PolarHBondContact O-N 2.86Å; V115-Q119 PolarHBondContact O-N 3.11Å; V115-L184 HydrophobicContact CG2-CD2 4.38Å
116V91.1Very high90.1Very high101 Ų10149.2 Ų49.261%0.61226%0.26SS*.Hα-helixtrans-61.2-41.6178.5170.70000110.9D112 Q119 A120D112-V116 WeakPolarHBondContact O-CB 3.42Å; D112-V116 VanDerWaalsContact O-CG2 3.26Å; D112-V116 WeakPolarHBondContact O-CG2 3.36Å; D112-V116 PolarHBondContact O-N 2.94Å; V116-Q119 PolarHBondContact O-N 2.96Å; V116-A120 PolarHBondContact O-N 3.01Å
117R88.4Confident89.7Confident93 Ų9357.3 Ų57.335%0.35129%0.29SS..Hα-helixtrans-65.8-43.8178.8-172.359.1165.4139.6-5.6112D20 I21 R113 V114 V115 Q119 A120 L121D20-R117 IonicContact OD1-CZ 3.82Å; D20-R117 IonicContact OD1-NE 3.28Å; D20-R117 IonicContact OD1-NH2 2.68Å; D20-R117 PolarHBondContact OD1-NH2 2.91Å; I21-R117 HydrophobicContact CB-CG 4.3Å; I21-R117 HydrophobicContact CD1-CB 3.81Å; I21-R117 HydrophobicContact CD1-CG 3.65Å; I21-R117 HydrophobicContact CG1-CG 3.94Å; R113-R117 VanDerWaalsContact O-CB 3.28Å; R113-R117 WeakPolarHBondContact O-CB 3.5Å; R113-R117 PolarHBondContact O-N 2.6Å; V114-R117 PolarHBondContact O-N 3.3Å; V115-R117 VanDerWaalsContact C-N 3.32Å; V115-R117 PolarHBondContact O-N 3.26Å; R117-Q119 VanDerWaalsContact C-N 3.32Å; R117-Q119 PolarHBondContact O-N 3.02Å; R117-A120 WeakPolarHBondContact O-CB 3.4Å; R117-A120 PolarHBondContact O-N 2.8Å; R117-A120 VanDerWaalsContact O-N 3.14Å; R117-L121 PolarHBondContact O-N 2.65Å
118M91.2Very high89.2Confident1 Ų160.7 Ų60.71%0.00531%0.306CS..Hα-helixtrans-62.3-40.3175.8-171.656.66000111.5P36 Y41 F73 V114 V115 A120 L121 H122 Y177 L184P36-M118 HydrophobicContact CB-SD 3.97Å; Y41-M118 HydrophobicContact CE2-CE 4.17Å; F73-M118 HydrophobicContact CB-CE 4.28Å; F73-M118 HydrophobicContact CD1-CE 3.96Å; F73-M118 HydrophobicContact CD2-CE 3.26Å; F73-M118 HydrophobicContact CE1-CE 4.01Å; F73-M118 HydrophobicContact CE2-CE 3.32Å; F73-M118 HydrophobicContact CG-CE 3.57Å; F73-M118 HydrophobicContact CZ-CE 3.69Å; V114-M118 WeakPolarHBondContact O-CB 3.42Å; V114-M118 PolarHBondContact O-N 3.46Å; V115-M118 PolarHBondContact O-N 2.86Å; M118-A120 VanDerWaalsContact C-N 3.32Å; M118-A120 PolarHBondContact O-N 3.15Å; M118-L121 PolarHBondContact O-N 3.33Å; M118-H122 WeakPolarHBondContact O-CB 3.28Å; M118-H122 PolarHBondContact O-N 3.13Å; M118-Y177 HydrophobicContact CB-CE1 4.07Å; M118-Y177 HydrophobicContact CG-CD1 3.88Å; M118-Y177 HydrophobicContact CG-CE1 3.79Å; M118-L184 HydrophobicContact CB-CD2 3.85Å; M118-L184 HydrophobicContact CG-CD1 4.12Å; M118-L184 HydrophobicContact CG-CD2 3.99Å
119Q91.9Very high88.7Confident30 Ų3061.6 Ų61.614%0.1431%0.31CS..Hα-helixtrans-61.9-40.2173.6-173.361.746.700111.7V115 V116 R117 H122 N123 Y177 S179V115-Q119 PolarHBondContact O-N 3.11Å; V116-Q119 PolarHBondContact O-N 2.96Å; R117-Q119 VanDerWaalsContact C-N 3.32Å; R117-Q119 PolarHBondContact O-N 3.02Å; Q119-H122 PolarHBondContact O-N 2.97Å; Q119-N123 PolarHBondContact NE2-OD1 3.33Å; Q119-N123 VanDerWaalsContact NE2-OD1 3.08Å; Q119-N123 WeakPolarHBondContact O-CB 3.35Å; Q119-N123 PolarHBondContact O-N 3.36Å; Q119-N123 PolarHBondContact O-ND2 3.49Å; Q119-Y177 HydrophobicContact CB-CE1 4.42Å; Q119-S179 PolarHBondContact OE1-OG 2.91Å
120A90.8Very high88.2Confident45 Ų4564.2 Ų64.237%0.37233%0.327SS..Hα-helixtrans-64-44.1176.400000112.3V116 R117 M118 H122 N123 S124V116-A120 PolarHBondContact O-N 3.01Å; R117-A120 WeakPolarHBondContact O-CB 3.4Å; R117-A120 PolarHBondContact O-N 2.8Å; R117-A120 VanDerWaalsContact O-N 3.14Å; M118-A120 VanDerWaalsContact C-N 3.32Å; M118-A120 PolarHBondContact O-N 3.15Å; A120-H122 VanDerWaalsContact C-N 3.35Å; A120-N123 PolarHBondContact O-N 3.2Å; A120-S124 PolarHBondContact O-N 3.05Å
121L89.3Confident87.8Confident44 Ų4461.1 Ų61.123%0.2331%0.313CS..Hα-helixtrans-60.9-44.1174.6-70.5174.3000111.3P36 Y41 R117 M118 S124 Y125P36-L121 HydrophobicContact CB-CB 4.08Å; P36-L121 HydrophobicContact CG-CB 4.08Å; Y41-L121 HydrophobicContact CE1-CD1 4.18Å; R117-L121 PolarHBondContact O-N 2.65Å; M118-L121 PolarHBondContact O-N 3.33Å; L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 2.66Å; L121-Y125 PolarHBondContact O-N 2.91Å
122H90Very high86.9Confident3 Ų364.1 Ų64.11%0.01433%0.327CS..Hα-helixtrans-64.2-41.6178.1-159.171.6000112.3M118 Q119 A120 S124 Y125 L126 F176 Y177M118-H122 WeakPolarHBondContact O-CB 3.28Å; M118-H122 PolarHBondContact O-N 3.13Å; Q119-H122 PolarHBondContact O-N 2.97Å; A120-H122 VanDerWaalsContact C-N 3.35Å; H122-S124 VanDerWaalsContact C-N 3.31Å; H122-S124 PolarHBondContact O-N 3Å; H122-Y125 WeakPolarHBondContact O-CB 3.35Å; H122-Y125 PolarHBondContact O-N 2.94Å; H122-L126 WeakPolarHBondContact O-CG 3.17Å; H122-L126 PolarHBondContact O-N 3.12Å; H122-F176 AromaticContact NE2-CD1 3.62Å; H122-Y177 HydrophobicContact CB-CD1 4.45Å; H122-Y177 PolarHBondContact CD2-O 2.78Å; H122-Y177 PolarHBondContact CE1-N 3.02Å; H122-Y177 VanDerWaalsContact CE1-N 3.31Å; H122-Y177 PolarHBondContact NE2-N 3.38Å; H122-Y177 VanDerWaalsContact NE2-N 3.1Å
123N90.6Very high86Confident63 Ų6362.1 Ų62.134%0.33732%0.319SS..Hα-helixtrans-62.3-37.7174.2-71.6-20.9000112.2Q119 A120 R127Q119-N123 PolarHBondContact NE2-OD1 3.33Å; Q119-N123 VanDerWaalsContact NE2-OD1 3.08Å; Q119-N123 WeakPolarHBondContact O-CB 3.35Å; Q119-N123 PolarHBondContact O-N 3.36Å; Q119-N123 PolarHBondContact O-ND2 3.49Å; A120-N123 PolarHBondContact O-N 3.2Å; N123-R127 VanDerWaalsContact O-CG 3.29Å; N123-R127 WeakPolarHBondContact O-CG 3.49Å; N123-R127 PolarHBondContact O-N 3.36Å; N123-R127 VanDerWaalsContact O-N 3.14Å
124S87.7Confident84.5Confident51 Ų5159.6 Ų59.636%0.35732%0.317SS..Hα-helixtrans-63.3-48.5174.4-160.20000111.4A120 L121 H122 L126 R127 E128A120-S124 PolarHBondContact O-N 3.05Å; L121-S124 WeakPolarHBondContact O-CB 3.29Å; L121-S124 PolarHBondContact O-N 2.66Å; H122-S124 VanDerWaalsContact C-N 3.31Å; H122-S124 PolarHBondContact O-N 3Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 2.84Å; S124-R127 WeakPolarHBondContact O-CB 3.36Å; S124-R127 PolarHBondContact O-N 2.87Å; S124-R127 VanDerWaalsContact O-N 3.12Å; S124-E128 PolarHBondContact O-N 2.77Å
125Y87.6Confident82.7Confident12 Ų1269.1 Ų69.15%0.04735%0.352CS..Hα-helixtrans-55.3-45.1175.8169.9-95.5000112.3F33 K34 P36 L121 H122 R127 E128 L129F33-Y125 AromaticContact CD1-CD2 3.69Å; F33-Y125 HydrophobicContact CD1-CD2 3.69Å; F33-Y125 AromaticContact CD1-CE2 3.12Å; F33-Y125 HydrophobicContact CD1-CE2 3.12Å; F33-Y125 AromaticContact CD1-CZ 3.83Å; F33-Y125 AromaticContact CE1-CD2 3.13Å; F33-Y125 HydrophobicContact CE1-CD2 3.13Å; F33-Y125 AromaticContact CE1-CE2 3.08Å; F33-Y125 HydrophobicContact CE1-CE2 3.08Å; F33-Y125 AromaticContact CE1-CG 3.96Å; F33-Y125 HydrophobicContact CE1-CG 3.96Å; F33-Y125 AromaticContact CE1-CZ 3.86Å; F33-Y125 HydrophobicContact CG-CE2 4.06Å; F33-Y125 AromaticContact CZ-CD2 3.61Å; F33-Y125 HydrophobicContact CZ-CD2 3.61Å; F33-Y125 AromaticContact CZ-CE2 3.97Å; F33-Y125 HydrophobicContact CZ-CE2 3.97Å; F33-Y125 HydrophobicContact CZ-CG 4.43Å; F33-Y125 PolarHBondContact O-OH 3.1Å; K34-Y125 VanDerWaalsContact C-CE2 3.46Å; K34-Y125 WeakPolarHBondContact O-CD2 3.36Å; K34-Y125 VanDerWaalsContact O-CE2 3.29Å; K34-Y125 WeakPolarHBondContact O-CE2 3.39Å; P36-Y125 HydrophobicContact CG-CG 4.42Å; L121-Y125 PolarHBondContact O-N 2.91Å; H122-Y125 WeakPolarHBondContact O-CB 3.35Å; H122-Y125 PolarHBondContact O-N 2.94Å; Y125-R127 PolarHBondContact O-N 2.78Å; Y125-E128 PolarHBondContact O-N 3.46Å; Y125-L129 WeakPolarHBondContact O-CB 3.15Å; Y125-L129 PolarHBondContact O-N 2.69Å
126L86.8Confident80.8Confident39 Ų3973.6 Ų73.620%0.20438%0.38CS..Hα-helixtrans-63.1-38.6177.2-71.2176.4000113.1H122 S124 T130 F176H122-L126 WeakPolarHBondContact O-CG 3.17Å; H122-L126 PolarHBondContact O-N 3.12Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 2.84Å; L126-T130 WeakPolarHBondContact O-CB 3.29Å; L126-T130 PolarHBondContact O-N 2.89Å; L126-T130 PolarHBondContact O-OG1 3.29Å; L126-F176 HydrophobicContact CD2-CD1 3.74Å; L126-F176 HydrophobicContact CD2-CE1 3.44Å; L126-F176 VanDerWaalsContact CD2-CE1 3.44Å
127R86Confident78.8Confident183 Ų18373 Ų7369%0.69138%0.38SS*.Hα-helixtrans-65-45.1176.8-72.1169.5-175.1171.22.2111.1N123 S124 Y125 T130 A131N123-R127 VanDerWaalsContact O-CG 3.29Å; N123-R127 WeakPolarHBondContact O-CG 3.49Å; N123-R127 PolarHBondContact O-N 3.36Å; N123-R127 VanDerWaalsContact O-N 3.14Å; S124-R127 WeakPolarHBondContact O-CB 3.36Å; S124-R127 PolarHBondContact O-N 2.87Å; S124-R127 VanDerWaalsContact O-N 3.12Å; Y125-R127 PolarHBondContact O-N 2.78Å; R127-T130 PolarHBondContact O-N 3.28Å; R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 3.16Å
128E82.9Confident76.5Confident96 Ų9672.2 Ų72.245%0.44939%0.394SS..Hα-helixtrans-64.7-43.7177.5-78.9173.1-150.300112.3F33 S124 Y125 T130 A131 M132F33-E128 HydrophobicContact CE1-CB 4.24Å; F33-E128 HydrophobicContact CE2-CB 4.08Å; F33-E128 WeakPolarHBondContact CE2-OE2 3.12Å; F33-E128 HydrophobicContact CZ-CB 3.41Å; F33-E128 VanDerWaalsContact CZ-CB 3.41Å; F33-E128 HydrophobicContact CZ-CG 4.4Å; F33-E128 VanDerWaalsContact CZ-OE2 3.24Å; F33-E128 WeakPolarHBondContact CZ-OE2 3.23Å; S124-E128 PolarHBondContact O-N 2.77Å; Y125-E128 PolarHBondContact O-N 3.46Å; E128-T130 VanDerWaalsContact C-N 3.3Å; E128-T130 PolarHBondContact O-N 2.82Å; E128-A131 WeakPolarHBondContact O-CB 3.27Å; E128-A131 PolarHBondContact O-N 2.98Å; E128-A131 VanDerWaalsContact O-N 3.16Å; E128-M132 PolarHBondContact O-N 2.75Å
129L81.1Confident73.8Confident46 Ų4679.1 Ų79.124%0.24143%0.43CS..Hα-helixtrans-59.3-42.4175.5-166.377.2000111.7F33 Y125 M132 T133 L174F33-L129 HydrophobicContact CD1-CD1 3.75Å; F33-L129 HydrophobicContact CE1-CB 4.03Å; F33-L129 HydrophobicContact CE1-CD1 4.08Å; Y125-L129 WeakPolarHBondContact O-CB 3.15Å; Y125-L129 PolarHBondContact O-N 2.69Å; L129-M132 PolarHBondContact O-N 3.07Å; L129-T133 PolarHBondContact O-N 3.13Å; L129-T133 PolarHBondContact O-OG1 2.75Å; L129-L174 HydrophobicContact CD2-CD1 4.39Å
130T80.6Confident71.4Confident76 Ų7683.8 Ų83.847%0.46646%0.463SS..Hα-helixtrans-66.3-40.3177-52.40000111.2L126 R127 E128 T133 N134L126-T130 WeakPolarHBondContact O-CB 3.29Å; L126-T130 PolarHBondContact O-N 2.89Å; L126-T130 PolarHBondContact O-OG1 3.29Å; R127-T130 PolarHBondContact O-N 3.28Å; E128-T130 VanDerWaalsContact C-N 3.3Å; E128-T130 PolarHBondContact O-N 2.82Å; T130-T133 PolarHBondContact O-N 2.72Å; T130-N134 PolarHBondContact O-N 2.98Å
131A78.5Confident68.7Low45 Ų4586.3 Ų86.337%0.37248%0.479SS..Hα-helixtrans-64.8-39.5176.600000112.5R127 E128 R135R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 3.16Å; E128-A131 WeakPolarHBondContact O-CB 3.27Å; E128-A131 PolarHBondContact O-N 2.98Å; E128-A131 VanDerWaalsContact O-N 3.16Å; A131-R135 WeakPolarHBondContact O-CG 3.22Å; A131-R135 PolarHBondContact O-N 3.13Å
132M70.7Confident66Low102 Ų10293 Ų9350%0.50251%0.509SS..Hα-helixtrans-64.1-42.5174.1-74.5-179.6176.900111.9F33 E128 L129 N134 R135 T136F33-M132 HydrophobicContact CD2-CE 3.94Å; F33-M132 HydrophobicContact CD2-SD 4.37Å; F33-M132 HydrophobicContact CE2-CE 4.15Å; F33-M132 HydrophobicContact CG-SD 4.45Å; E128-M132 PolarHBondContact O-N 2.75Å; L129-M132 PolarHBondContact O-N 3.07Å; M132-N134 VanDerWaalsContact C-N 3.34Å; M132-N134 PolarHBondContact O-N 3.23Å; M132-R135 PolarHBondContact O-N 2.78Å; M132-T136 PolarHBondContact O-N 3.08Å
133T68.9Low63.3Low81 Ų8199.1 Ų99.150%0.49754%0.541SS..Hα-helixtrans-66.4-34.7-179.7-500000112.6L129 T130 R135 T136 S137L129-T133 PolarHBondContact O-N 3.13Å; L129-T133 PolarHBondContact O-OG1 2.75Å; T130-T133 PolarHBondContact O-N 2.72Å; T133-R135 VanDerWaalsContact C-N 3.32Å; T133-T136 PolarHBondContact O-OG1 3.07Å; T133-T136 VanDerWaalsContact O-OG1 3.05Å; T133-S137 PolarHBondContact O-OG 2.63Å
134N58.5Low61Low104 Ų104102.2 Ų102.256%0.55657%0.565SS**Hα-helixtrans-71.8-26.2176.7-72.4-12.9000112.8T130 M132 S137T130-N134 PolarHBondContact O-N 2.98Å; M132-N134 VanDerWaalsContact C-N 3.34Å; M132-N134 PolarHBondContact O-N 3.23Å; N134-S137 PolarHBondContact O-OG 3.39Å
135R53Low58.6Low210 Ų210106.9 Ų106.979%0.79259%0.585SS**Hα-helixtrans-76.2-32177.9-72.6178.7-175.7-170.92.3112.7A131 M132 T133 S137A131-R135 WeakPolarHBondContact O-CG 3.22Å; A131-R135 PolarHBondContact O-N 3.13Å; M132-R135 PolarHBondContact O-N 2.78Å; T133-R135 VanDerWaalsContact C-N 3.32Å; R135-S137 VanDerWaalsContact C-N 3.33Å
136T51.3Low55.8Low120 Ų120118.1 Ų118.174%0.73663%0.627SS**Hα-helixtrans-78.7-15.5178.850.70000113.8M132 T133M132-T136 PolarHBondContact O-N 3.08Å; T133-T136 PolarHBondContact O-OG1 3.07Å; T133-T136 VanDerWaalsContact O-OG1 3.05Å
137S49Very low53.1Low88 Ų88124.5 Ų124.562%0.61566%0.656SS**SBendtrans-97.8-6.4-179.843.30000114.5T133 N134 R135 D139T133-S137 PolarHBondContact O-OG 2.63Å; N134-S137 PolarHBondContact O-OG 3.39Å; R135-S137 VanDerWaalsContact C-N 3.33Å; S137-D139 VanDerWaalsContact C-N 3.34Å; S137-D139 PolarHBondContact O-N 3.4Å
138A39.5Very low50.5Low78 Ų78126.3 Ų126.365%0.64566%0.664SS**  trans-91.960.9177.600000111.6
139D34.7Very low48.1Very low145 Ų145134.2 Ų134.278%0.77569%0.69SS**  trans-112100.3162.7-147.2-0.1000107.9S137 S141S137-D139 VanDerWaalsContact C-N 3.34Å; S137-D139 PolarHBondContact O-N 3.4Å; D139-S141 PolarHBondContact O-N 2.97Å
140P41.1Very low45.5Very low128 Ų128142.2 Ų142.283%0.83172%0.717SS**  trans-8889.4-169.132.9-31.1000110.8
141S34.8Very low43Very low99 Ų99144.6 Ų144.669%0.69273%0.727SS**  trans-124.7116.516664.20000111.3D139D139-S141 PolarHBondContact O-N 2.97Å
142E32.4Very low40.6Very low184 Ų184151.4 Ų151.486%0.8675%0.751SS**  trans74.4107.5156.7-50.8-154.1148.800119
143D34Very low38.5Very low131 Ų131150.7 Ų150.770%0.70177%0.77SS**  158.3109.783.2-160.90.7000109.9L145D143-L145 PolarHBondContact O-N 3.35Å; D143-L145 VanDerWaalsContact O-N 3.08Å
144P42.4Very low36.8Very low129 Ų129150.3 Ų150.384%0.83878%0.782SS**  trans-86.773.2-171.134.6-33.8000112.3
145L35.9Very low35.6Very low149 Ų149151.5 Ų151.578%0.7880%0.796SS**  trans-144.659.9173.5-99.9158.3000112.4D143D143-L145 PolarHBondContact O-N 3.35Å; D143-L145 VanDerWaalsContact O-N 3.08Å
146R30.4Very low34.6Very low247 Ų247147 Ų14793%0.93280%0.797SS**  trans-135.169158.1-69.7-166176.8-168.40.7110.7
147H29.1Very low33.4Very low173 Ų173151.4 Ų151.480%0.80181%0.806SS**  trans-103.6145.2159.3-94.454.7000108.8
148Y30.8Very low32.3Very low222 Ų222150.4 Ų150.487%0.87181%0.809SS**  trans89.982-178.6-66.2-86.2000117.1
149R32.8Very low31.8Very low261 Ų261151.3 Ų151.399%0.98581%0.811SS**  -152.9111.4119.9-104.9177.3-172.8-175.62.1109
150R27.7Very low31.5Very low214 Ų214154.1 Ų154.181%0.80882%0.819SS**  trans-103.2150.8177.9-146.3-168.3-176.9162.14.4108.5
151D27.8Very low31.2Very low126 Ų126152.8 Ų152.867%0.67481%0.809SS**  trans74.8125.3159.8-57.7-26000115.7
152E28Very low31.2Very low188 Ų188154.3 Ų154.388%0.87981%0.808SS**  cis-162.414619.8-105.7168.2-178.600109.1
153G27.2Very low31.3Very low87 Ų87151.3 Ų151.390%0.89781%0.805SS**  trans116.897.9155.300000117.9
154G31.6Very low31.5Very low74 Ų74155.6 Ų155.676%0.76381%0.811SS**  trans122.9104.8150.700000116.1S156G154-S156 PolarHBondContact O-N 2.89Å
155P35Very low31.3Very low129 Ų129160.9 Ų160.984%0.83882%0.815SS**  trans-83.9113.9172.532.8-26.4000109.2
156S30.3Very low31.2Very low116 Ų116156.5 Ų156.581%0.81181%0.805SS**  trans-133.779.8160.8-164.50000108.4G154G154-S156 PolarHBondContact O-N 2.89Å
157F26.9Very low31.2Very low211 Ų211156.4 Ų156.493%0.92581%0.805SS**  trans-72.5125.6156.8-84.7-92.3000107.2
158G26.6Very low31.4Very low67 Ų67154.8 Ų154.869%0.69180%0.801SS**  trans133.479.9162.800000115.1
159S28.6Very low31.4Very low97 Ų97155.9 Ų155.968%0.67880%0.804SS**  160.8122.5110.455.40000107.9T161S159-T161 PolarHBondContact O-N 2.92Å
160H29Very low31.5Very low204 Ų204152.8 Ų152.894%0.94480%0.801SS**  trans-60.288.2165.4-73.8-91.1000107.6L162H160-L162 PolarHBondContact O-N 3.45Å
161T33.7Very low31.8Very low100 Ų100149.8 Ų149.861%0.61380%0.796SS**  trans-67.6125.7173.544.70000107.5S159S159-T161 PolarHBondContact O-N 2.92Å
162L35.1Very low32.5Very low131 Ų131150 Ų15069%0.68679%0.791SS**  trans-37.7145.3170.9-69.3160000110.9H160 R164H160-L162 PolarHBondContact O-N 3.45Å; L162-R164 PolarHBondContact O-N 3.38Å
163P34.8Very low33.1Very low121 Ų121147.1 Ų147.179%0.78679%0.79SS**  trans-50115.1-173.5-21.429000110.5R165P163-R165 PolarHBondContact O-N 2.92Å
164R37.6Very low34.4Very low222 Ų222147 Ų14784%0.83877%0.769SS**  trans-53.4128.7-178.8-83.4-179.3175.2163.3-1.5108.9L162 G166L162-R164 PolarHBondContact O-N 3.38Å; R164-G166 PolarHBondContact O-N 3.21Å
165R37.7Very low36.1Very low240 Ų240144.7 Ų144.791%0.90674%0.74SS**SBendtrans-56.920.9-172-126.2-178-160-97.60.8117.3P163P163-R165 PolarHBondContact O-N 2.92Å
166G33.8Very low38.3Very low57 Ų57143.1 Ų143.159%0.58872%0.72SS**SBendtrans-129.3114.4-17700000111.5R164R164-G166 PolarHBondContact O-N 3.21Å
167R31.1Very low41Very low245 Ų245137.9 Ų137.993%0.92568%0.683SS**  trans105.329.7163.1-54.1-175.5179.9-158.40.9119.3
168L33.8Very low43.9Very low139 Ų139130.5 Ų130.573%0.72865%0.653SS**  trans-95.296.6152.1-95.880000109.6Q171L168-Q171 HydrophobicContact CD2-CB 4.5Å; L168-Q171 VanDerWaalsContact CD2-OE1 3.3Å
169R31.4Very low46.8Very low244 Ų244129.5 Ų129.592%0.92164%0.636SS**  trans-70.9122.8165.2-93.2179.9151.6-169.6-6.8107.8
170Q34.1Very low49.6Very low196 Ų196131.6 Ų131.692%0.91664%0.639SS**SBendtrans77.214.1161.7-68.7-178.7-15.700121
171Q33.6Very low52.4Low151 Ų151126.1 Ų126.171%0.70662%0.623SS**SBendtrans-90.7130.7158.6-87178.1-24.700110L168 C173L168-Q171 HydrophobicContact CD2-CB 4.5Å; L168-Q171 VanDerWaalsContact CD2-OE1 3.3Å; Q171-C173 PolarHBondContact O-N 3.48Å
172K42.1Very low55.1Low130 Ų130122.2 Ų122.257%0.56560%0.598SS**  trans-32.2124.7177-81.2174.5169.7-178.30109.5E32 L174 D350E32-K172 IonicContact OE1-NZ 3.57Å; E32-K172 PolarHBondContact OE1-NZ 3.43Å; E32-K172 IonicContact OE2-NZ 3.32Å; K172-L174 PolarHBondContact O-N 2.89Å; K172-D350 IonicContact NZ-OD2 3.81Å; K172-D350 PolarHBondContact NZ-OD2 2.88Å
173C41.9Very low57.8Low128 Ų128120.7 Ų120.787%0.86559%0.588SS**  trans-57.497.8-178.6-145.90000108.6Q171 S175Q171-C173 PolarHBondContact O-N 3.48Å; C173-S175 PolarHBondContact O-N 3.48Å
174L54.5Low60.6Low86 Ų86115.2 Ų115.245%0.4555%0.552SS.*  trans-58.9124.8-176.7-69.6169000109.1L129 K172 F176L129-L174 HydrophobicContact CD2-CD1 4.39Å; K172-L174 PolarHBondContact O-N 2.89Å; L174-F176 HydrophobicContact CB-CD2 4.23Å; L174-F176 HydrophobicContact CB-CE1 4.47Å; L174-F176 HydrophobicContact CB-CE2 3.58Å; L174-F176 HydrophobicContact CB-CZ 3.73Å; L174-F176 HydrophobicContact CD1-CE2 4.45Å; L174-F176 HydrophobicContact CD1-CZ 3.97Å; L174-F176 WeakPolarHBondContact O-CD2 3.44Å; L174-F176 PolarHBondContact O-N 3.27Å
175S67.4Low63.3Low24 Ų24105.8 Ų105.817%0.16852%0.516CS..  trans-7785.9-177.757.50000109.8S35 I37 D38 C173S35-S175 VanDerWaalsContact CB-OG 3.3Å; S35-S175 WeakPolarHBondContact CB-OG 3.45Å; S35-S175 PolarHBondContact OG-O 3.39Å; S35-S175 PolarHBondContact OG-OG 3.3Å; I37-S175 WeakPolarHBondContact CG2-OG 3.33Å; D38-S175 WeakPolarHBondContact OD2-CB 3.46Å; D38-S175 PolarHBondContact OD2-OG 3.36Å; C173-S175 PolarHBondContact O-N 3.48Å
176F80.2Confident66Low96 Ų9695.4 Ų95.442%0.42148%0.479SS..  trans-78.2140.7175.3-63.8-72.9000111.3H122 L126 L174H122-F176 AromaticContact NE2-CD1 3.62Å; L126-F176 HydrophobicContact CD2-CD1 3.74Å; L126-F176 HydrophobicContact CD2-CE1 3.44Å; L126-F176 VanDerWaalsContact CD2-CE1 3.44Å; L174-F176 HydrophobicContact CB-CD2 4.23Å; L174-F176 HydrophobicContact CB-CE1 4.47Å; L174-F176 HydrophobicContact CB-CE2 3.58Å; L174-F176 HydrophobicContact CB-CZ 3.73Å; L174-F176 HydrophobicContact CD1-CE2 4.45Å; L174-F176 HydrophobicContact CD1-CZ 3.97Å; L174-F176 WeakPolarHBondContact O-CD2 3.44Å; L174-F176 PolarHBondContact O-N 3.27Å
177Y86.7Confident69Low6 Ų692.9 Ų92.92%0.02445%0.453CS..  trans-119.9129.5175.9172.7-109.2000110I37 T75 M118 Q119 H122 D182 L184I37-Y177 HydrophobicContact CD1-CD2 4.44Å; T75-Y177 HydrophobicContact CG2-CD2 3.99Å; M118-Y177 HydrophobicContact CB-CE1 4.07Å; M118-Y177 HydrophobicContact CG-CD1 3.88Å; M118-Y177 HydrophobicContact CG-CE1 3.79Å; Q119-Y177 HydrophobicContact CB-CE1 4.42Å; H122-Y177 HydrophobicContact CB-CD1 4.45Å; H122-Y177 PolarHBondContact CD2-O 2.78Å; H122-Y177 PolarHBondContact CE1-N 3.02Å; H122-Y177 VanDerWaalsContact CE1-N 3.31Å; H122-Y177 PolarHBondContact NE2-N 3.38Å; H122-Y177 VanDerWaalsContact NE2-N 3.1Å; Y177-D182 HydrophobicContact CD2-CB 4Å; Y177-D182 HydrophobicContact CE2-CB 4.09Å; Y177-L184 HydrophobicContact CD2-CD1 4.33Å; Y177-L184 HydrophobicContact CE2-CB 4.02Å; Y177-L184 HydrophobicContact CE2-CD1 3.92Å; Y177-L184 HydrophobicContact CE2-CG 4.46Å
178D88.5Confident72.1Confident57 Ų5782.3 Ų82.331%0.30541%0.414SS..  trans-134.9114.9173.4176.13.5000109.5N180 C181 D182D178-N180 PolarHBondContact O-N 3.15Å; D178-N180 WeakPolarHBondContact OD1-CB 3.44Å; D178-N180 PolarHBondContact OD1-N 2.82Å; D178-N180 PolarHBondContact OD1-ND2 3.07Å; D178-C181 HydrophobicContact CB-CB 4.36Å; D178-C181 PolarHBondContact O-N 3.23Å; D178-C181 PolarHBondContact OD2-SG 3.25Å; D178-C181 VanDerWaalsContact OD2-SG 3.35Å; D178-D182 PolarHBondContact N-OD2 2.76Å; D178-D182 WeakPolarHBondContact O-CB 3.25Å; D178-D182 PolarHBondContact O-N 3.14Å
179S87.3Confident75.1Confident45 Ų4575.7 Ų75.732%0.31538%0.379SS..THydrogen-bonded Turntrans-58.3-19.2-178.663.30000114.2Q119Q119-S179 PolarHBondContact OE1-OG 2.91Å
180N87.5Confident78.3Confident142 Ų14264.1 Ų64.176%0.75934%0.335SS*.THydrogen-bonded Turntrans-83.5-20.5177-56.1-61.2000113.2D178D178-N180 PolarHBondContact O-N 3.15Å; D178-N180 WeakPolarHBondContact OD1-CB 3.44Å; D178-N180 PolarHBondContact OD1-N 2.82Å; D178-N180 PolarHBondContact OD1-ND2 3.07Å
181C88.4Confident81.3Confident89 Ų8954.8 Ų54.860%0.60129%0.292SS*.THydrogen-bonded Turntrans-119.7-22.2-172.7-610000113.1Q76 D178Q76-C181 PolarHBondContact NE2-O 2.84Å; D178-C181 HydrophobicContact CB-CB 4.36Å; D178-C181 PolarHBondContact O-N 3.23Å; D178-C181 PolarHBondContact OD2-SG 3.25Å; D178-C181 VanDerWaalsContact OD2-SG 3.35Å
182D90.4Very high84.4Confident17 Ų1747.6 Ų47.69%0.09126%0.258CS..  trans-122.3135-170.9-65.1-39.8000112.4T75 Q76 K77 Y177 D178T75-D182 HydrophobicContact CG2-CB 4.15Å; Q76-D182 PolarHBondContact NE2-OD1 3.44Å; K77-D182 WeakPolarHBondContact CE-OD1 3.3Å; K77-D182 IonicContact NZ-OD1 3.77Å; K77-D182 PolarHBondContact NZ-OD1 3.41Å; K77-D182 IonicContact NZ-OD2 3.67Å; Y177-D182 HydrophobicContact CD2-CB 4Å; Y177-D182 HydrophobicContact CE2-CB 4.09Å; D178-D182 PolarHBondContact N-OD2 2.76Å; D178-D182 WeakPolarHBondContact O-CB 3.25Å; D178-D182 PolarHBondContact O-N 3.14Å
183E91.4Very high87Confident100 Ų10041.7 Ų41.747%0.46723%0.233SC..  trans-82.2133.8170.4-68.7-179.3164.300109.2T75 Q76 L108 Y185T75-E183 WeakPolarHBondContact CA-O 3.29Å; Q76-E183 HydrophobicContact CB-CB 4.37Å; Q76-E183 PolarHBondContact N-O 2.87Å; Q76-E183 PolarHBondContact OE1-O 3.45Å; L108-E183 HydrophobicContact CD1-CB 3.96Å; L108-E183 HydrophobicContact CD1-CG 4.41Å; E183-Y185 HydrophobicContact CB-CD2 4.44Å; E183-Y185 HydrophobicContact CB-CE2 3.69Å; E183-Y185 PolarHBondContact OE2-OH 3.37Å
184L93.4Very high89.4Confident5 Ų535.7 Ų35.73%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-97.1130.6-179.5-171.865.2000110.5F73 V109 V115 M118 Y177F73-L184 HydrophobicContact CB-CD1 4.05Å; F73-L184 HydrophobicContact CD1-CD1 3.89Å; F73-L184 HydrophobicContact CD1-CD2 3.99Å; F73-L184 HydrophobicContact CD1-CG 3.92Å; F73-L184 HydrophobicContact CE1-CD2 4.18Å; F73-L184 HydrophobicContact CG-CD1 4.35Å; V109-L184 HydrophobicContact CB-CB 4.27Å; V109-L184 HydrophobicContact CB-CD2 4.35Å; V109-L184 HydrophobicContact CB-CG 4.34Å; V109-L184 WeakPolarHBondContact CB-O 3.26Å; V109-L184 HydrophobicContact CG1-CD2 4.44Å; V109-L184 HydrophobicContact CG2-CB 4.28Å; V109-L184 HydrophobicContact CG2-CD2 4.09Å; V109-L184 HydrophobicContact CG2-CG 3.9Å; V109-L184 WeakPolarHBondContact CG2-O 3.38Å; V109-L184 PolarHBondContact N-O 2.95Å; V115-L184 HydrophobicContact CG2-CD2 4.38Å; M118-L184 HydrophobicContact CB-CD2 3.85Å; M118-L184 HydrophobicContact CG-CD1 4.12Å; M118-L184 HydrophobicContact CG-CD2 3.99Å; Y177-L184 HydrophobicContact CD2-CD1 4.33Å; Y177-L184 HydrophobicContact CE2-CB 4.02Å; Y177-L184 HydrophobicContact CE2-CD1 3.92Å; Y177-L184 HydrophobicContact CE2-CG 4.46Å
185Y94.3Very high91.1Very high25 Ų2532.9 Ų32.910%0.09818%0.184CC..EExtended strand (participates in β ladder)trans-118.8144.8175.8-66.5-101.3000110F73 R74 Q76 V79 E107 L108 E183F73-Y185 CarbonylContact C-O 3.5Å; F73-Y185 VanDerWaalsContact CA-O 3.24Å; F73-Y185 WeakPolarHBondContact CA-O 3.5Å; R74-Y185 PolarHBondContact N-O 3.03Å; R74-Y185 WeakPolarHBondContact O-CB 2.8Å; R74-Y185 PolarHBondContact O-N 3.18Å; Q76-Y185 HydrophobicContact CB-CE2 3.99Å; V79-Y185 HydrophobicContact CB-CG 4.44Å; V79-Y185 HydrophobicContact CG2-CD1 4.24Å; V79-Y185 HydrophobicContact CG2-CG 4.14Å; E107-Y185 CarbonylContact O-C 3.54Å; E107-Y185 VanDerWaalsContact O-CA 3.23Å; E107-Y185 WeakPolarHBondContact O-CA 3.41Å; L108-Y185 HydrophobicContact CB-CD1 4.35Å; L108-Y185 HydrophobicContact CB-CE1 4.07Å; L108-Y185 HydrophobicContact CD1-CE1 4.13Å; L108-Y185 HydrophobicContact CD1-CE2 4.04Å; E183-Y185 HydrophobicContact CB-CD2 4.44Å; E183-Y185 HydrophobicContact CB-CE2 3.69Å; E183-Y185 PolarHBondContact OE2-OH 3.37Å
186V94.7Very high92.2Very high21 Ų2133.3 Ų33.313%0.12718%0.184CC..EExtended strand (participates in β ladder)trans-125140.8179.666.80000110.8L14 V71 F73 Y106 E107 V109L14-V186 HydrophobicContact CB-CG2 3.93Å; L14-V186 HydrophobicContact CD2-CG2 4.19Å; V71-V186 HydrophobicContact CG1-CG2 3.44Å; V71-V186 VanDerWaalsContact CG1-CG2 3.44Å; F73-V186 HydrophobicContact CD1-CB 3.95Å; F73-V186 HydrophobicContact CD1-CG2 4.06Å; F73-V186 HydrophobicContact CE1-CB 3.83Å; F73-V186 HydrophobicContact CE1-CG2 3.69Å; F73-V186 HydrophobicContact CZ-CG2 4.04Å; Y106-V186 WeakPolarHBondContact CA-O 3.43Å; E107-V186 PolarHBondContact N-O 3.28Å; E107-V186 PolarHBondContact O-N 3.45Å; V109-V186 HydrophobicContact CG2-CB 3.76Å; V109-V186 HydrophobicContact CG2-CG1 3.74Å
187S95.6Very high92.8Very high5 Ų529.4 Ų29.44%0.03517%0.169CC..EExtended strand (participates in β ladder)trans-70.8137.7177.362.50000112.1V71 R72 F105V71-S187 WeakPolarHBondContact CA-OG 3.36Å; R72-S187 PolarHBondContact N-OG 3.26Å; R72-S187 PolarHBondContact O-N 2.89Å; R72-S187 PolarHBondContact O-OG 3.36Å; F105-S187 WeakPolarHBondContact O-CA 3.47Å
188K96.3Very high93.2Very high23 Ų2329.3 Ų29.310%0.117%0.168CC..EExtended strand (participates in β ladder)trans-139.9150.4175.5-167.7172-177.31710109.1I11 G12 T104 F105 E107 F674I11-K188 HydrophobicContact CG2-CG 4.42Å; G12-K188 WeakPolarHBondContact O-CA 3.27Å; G12-K188 WeakPolarHBondContact O-CG 3.47Å; T104-K188 CarbonylContact C-O 3.42Å; T104-K188 WeakPolarHBondContact CA-O 3.09Å; F105-K188 HydrophobicContact CE1-CB 4.45Å; F105-K188 HydrophobicContact CE2-CB 4.18Å; F105-K188 HydrophobicContact CE2-CD 4.35Å; F105-K188 HydrophobicContact CZ-CB 4.02Å; F105-K188 HydrophobicContact CZ-CD 4.02Å; F105-K188 HydrophobicContact CZ-CG 4.11Å; F105-K188 PolarHBondContact N-O 3.34Å; F105-K188 PolarHBondContact O-N 3Å; F105-K188 VanDerWaalsContact O-O 3.11Å; E107-K188 WeakPolarHBondContact OE2-CD 3.26Å; E107-K188 IonicContact OE2-NZ 3.06Å; E107-K188 PolarHBondContact OE2-NZ 2.94Å; K188-F674 WeakPolarHBondContact CE-O 3.45Å; K188-F674 PolarHBondContact NZ-O 2.85Å
189C97.7Very high93.5Very high0 Ų026.8 Ų26.80%016%0.155CC..EExtended strand (participates in β ladder)trans-132.3146.2177.8730000113.3I11 G12 M67 V102 L103I11-C189 WeakPolarHBondContact CA-O 3.38Å; G12-C189 PolarHBondContact N-O 2.85Å; G12-C189 PolarHBondContact O-N 2.99Å; M67-C189 HydrophobicContact CE-CB 3.67Å; M67-C189 WeakPolarHBondContact CE-SG 3.39Å; V102-C189 HydrophobicContact CG1-CB 3.74Å; L103-C189 CarbonylContact O-C 3.52Å; L103-C189 WeakPolarHBondContact O-CA 3.37Å
190L98.4Very high93.8Very high0 Ų025.6 Ų25.60%015%0.146CC..EExtended strand (participates in β ladder)trans-106137.6167.6-52-179.8000108.3F9 I11 V102 L103 F105 L206 L209 L210 F674F9-L190 HydrophobicContact CE2-CB 4.11Å; F9-L190 HydrophobicContact CZ-CB 4.38Å; F9-L190 HydrophobicContact CZ-CD2 4.14Å; I11-L190 HydrophobicContact CG1-CD2 4.24Å; I11-L190 HydrophobicContact CG2-CD2 4.24Å; V102-L190 CarbonylContact C-O 3.39Å; V102-L190 WeakPolarHBondContact CA-O 3.33Å; L103-L190 PolarHBondContact N-O 3.34Å; L103-L190 PolarHBondContact O-N 3.15Å; F105-L190 HydrophobicContact CE1-CD1 4.39Å; F105-L190 HydrophobicContact CE1-CD2 4.3Å; F105-L190 HydrophobicContact CE1-CG 3.94Å; L190-L206 HydrophobicContact CB-CD2 3.69Å; L190-L209 HydrophobicContact CD1-CD2 4.21Å; L190-L210 HydrophobicContact CD1-CB 4.5Å; L190-F674 HydrophobicContact CD1-CD2 3.6Å; L190-F674 HydrophobicContact CD1-CE2 3.88Å; L190-F674 HydrophobicContact CD1-CG 4.02Å; L190-F674 HydrophobicContact CD1-CZ 4.46Å; L190-F674 HydrophobicContact CD2-CB 4.08Å; L190-F674 HydrophobicContact CD2-CD1 3.53Å; L190-F674 HydrophobicContact CD2-CD2 4.01Å; L190-F674 HydrophobicContact CD2-CE1 3.94Å; L190-F674 HydrophobicContact CD2-CE2 4.42Å; L190-F674 HydrophobicContact CD2-CG 3.56Å; L190-F674 HydrophobicContact CD2-CZ 4.38Å; L190-F674 HydrophobicContact CG-CD2 4.43Å; L190-F674 HydrophobicContact CG-CG 4.39Å
191V98.2Very high94.1Very high0 Ų018.9 Ų18.90%011%0.111CC..EExtended strand (participates in β ladder)trans-134128.3-171.2-175.60000110.4F9 M10 C66 F88 G101 V102 I193F9-V191 CarbonylContact C-O 3.47Å; F9-V191 WeakPolarHBondContact CA-O 3.3Å; F9-V191 WeakPolarHBondContact CD2-O 3.42Å; M10-V191 HydrophobicContact CB-CB 4.14Å; M10-V191 HydrophobicContact CE-CB 3.93Å; M10-V191 HydrophobicContact CE-CG1 4.26Å; M10-V191 HydrophobicContact CE-CG2 3.55Å; M10-V191 PolarHBondContact N-O 3.14Å; M10-V191 PolarHBondContact O-N 3.34Å; C66-V191 HydrophobicContact CB-CG2 4.2Å; F88-V191 HydrophobicContact CE1-CG1 3.74Å; F88-V191 HydrophobicContact CZ-CG1 4.19Å; G101-V191 VanDerWaalsContact O-CA 3.3Å; G101-V191 WeakPolarHBondContact O-CA 3.28Å; V102-V191 HydrophobicContact CB-CG2 4.37Å; V102-V191 HydrophobicContact CG1-CG2 4.05Å; V102-V191 HydrophobicContact CG2-CG1 4.07Å; V102-V191 HydrophobicContact CG2-CG2 3.95Å; V191-I193 HydrophobicContact CG1-CG1 4.12Å
192L97.9Very high94.5Very high0 Ų014.7 Ų14.70%08%0.082CC..EExtended strand (participates in β ladder)trans-104122.1165.8-64.4173.5000108V6 F9 G100 G101 C202 L205 L206 M230V6-L192 HydrophobicContact CG1-CB 4.2Å; V6-L192 HydrophobicContact CG1-CD2 3.75Å; V6-L192 HydrophobicContact CG2-CD2 4.21Å; F9-L192 HydrophobicContact CB-CD2 4.49Å; F9-L192 HydrophobicContact CD2-CD2 3.76Å; G100-L192 CarbonylContact C-O 3.59Å; G100-L192 WeakPolarHBondContact CA-O 3.28Å; G101-L192 PolarHBondContact N-O 3.41Å; G101-L192 PolarHBondContact O-N 3.47Å; L192-C202 HydrophobicContact CD1-CB 4.28Å; L192-L205 HydrophobicContact CD1-CB 3.86Å; L192-L205 HydrophobicContact CD1-CD1 4.01Å; L192-L206 HydrophobicContact CD1-CD2 4.1Å; L192-L206 HydrophobicContact CD1-CG 3.85Å; L192-L206 HydrophobicContact CD2-CD2 4.45Å; L192-L206 HydrophobicContact CG-CD1 4.39Å; L192-L206 HydrophobicContact CG-CD2 3.75Å; L192-L206 HydrophobicContact CG-CG 3.95Å; L192-M230 HydrophobicContact CD2-SD 4.36Å
193I95.7Very high94.8Very high7 Ų716.1 Ų16.14%0.0369%0.089CC..EExtended strand (participates in β ladder)trans-97.3130.4174.9-56.7-172.5000108.1D7 Y8 F58 V62 F88 I98 Y99 V191D7-I193 WeakPolarHBondContact CA-O 3.33Å; D7-I193 WeakPolarHBondContact CB-O 3.41Å; D7-I193 PolarHBondContact N-O 3.46Å; Y8-I193 PolarHBondContact N-O 3.5Å; Y8-I193 PolarHBondContact O-N 2.87Å; F58-I193 HydrophobicContact CD2-CD1 4.05Å; F58-I193 HydrophobicContact CE2-CD1 3.69Å; V62-I193 HydrophobicContact CG2-CD1 4.06Å; F88-I193 HydrophobicContact CZ-CG1 4.46Å; I98-I193 HydrophobicContact CG2-CG2 3.28Å; Y99-I193 CarbonylContact O-C 3.54Å; Y99-I193 WeakPolarHBondContact O-CA 3.49Å; V191-I193 HydrophobicContact CG1-CG1 4.12Å
194T93.6Very high94.9Very high1 Ų111.6 Ų11.61%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-134.4153.7-173.2570000111.3F5 Y99 L196F5-T194 WeakPolarHBondContact O-CG2 3.41Å; Y99-T194 PolarHBondContact N-O 3.47Å; Y99-T194 PolarHBondContact O-N 3.33Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 WeakPolarHBondContact CB-O 3.32Å; T194-L196 PolarHBondContact OG1-O 3.3Å
195G88.8Confident95Very high27 Ų2711.3 Ų11.328%0.2787%0.067SC..SBendtrans-78.8-12.1173.800000114.5D7D7-G195 PolarHBondContact OD2-N 2.94Å
196L91.7Very high95.1Very high33 Ų3310.1 Ų10.117%0.1736%0.062CC..SBendtrans-127.6154.7177.7-67.8176.6000110Y99 T194 I198 L236 Y256 F264Y99-L196 WeakPolarHBondContact CB-O 3.43Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 WeakPolarHBondContact CB-O 3.32Å; T194-L196 PolarHBondContact OG1-O 3.3Å; L196-I198 HydrophobicContact CB-CD1 4.38Å; L196-I198 HydrophobicContact CB-CG1 3.91Å; L196-I198 PolarHBondContact O-N 3.34Å; L196-L236 HydrophobicContact CD1-CD1 3.91Å; L196-L236 HydrophobicContact CD1-CD2 3.88Å; L196-L236 HydrophobicContact CD1-CG 4.5Å; L196-Y256 HydrophobicContact CD1-CD2 4.1Å; L196-Y256 HydrophobicContact CD1-CE2 3.68Å; L196-F264 HydrophobicContact CB-CD1 4.41Å; L196-F264 HydrophobicContact CB-CE1 4.2Å
197P93.4Very high95.1Very high15 Ų1512.5 Ų12.510%0.0977%0.069CC..  trans-74.96617829.4-33000111.9Y99 V199 F264 Y267Y99-P197 HydrophobicContact CD1-CB 3.57Å; Y99-P197 HydrophobicContact CD1-CG 4.32Å; Y99-P197 HydrophobicContact CE1-CB 3.72Å; Y99-P197 HydrophobicContact CE1-CG 4.06Å; Y99-P197 HydrophobicContact CG-CB 4Å; P197-V199 PolarHBondContact O-N 3.02Å; P197-F264 HydrophobicContact CG-CD1 3.9Å; P197-F264 HydrophobicContact CG-CE1 3.84Å; P197-F264 WeakPolarHBondContact O-CE1 3.42Å; P197-Y267 HydrophobicContact CB-CE2 4.15Å
198I94.3Very high94.9Very high3 Ų312.3 Ų12.32%0.0157%0.067CC..  trans-81.4112.6-178.6-50.8-178.2000108.2F5 L196 A201 C202 L236 F254 F264F5-I198 HydrophobicContact CD1-CD1 4.28Å; F5-I198 HydrophobicContact CD2-CD1 4.14Å; F5-I198 HydrophobicContact CE1-CD1 3.97Å; F5-I198 HydrophobicContact CE1-CG2 4.13Å; F5-I198 HydrophobicContact CE2-CD1 3.8Å; F5-I198 HydrophobicContact CG-CD1 4.37Å; F5-I198 HydrophobicContact CZ-CD1 3.72Å; F5-I198 HydrophobicContact CZ-CG2 3.72Å; L196-I198 HydrophobicContact CB-CD1 4.38Å; L196-I198 HydrophobicContact CB-CG1 3.91Å; L196-I198 PolarHBondContact O-N 3.34Å; I198-A201 HydrophobicContact CG2-CB 3.74Å; I198-C202 WeakPolarHBondContact O-CB 3.41Å; I198-C202 PolarHBondContact O-SG 3.17Å; I198-L236 HydrophobicContact CD1-CD1 4.34Å; I198-F254 HydrophobicContact CB-CE2 4.42Å; I198-F254 HydrophobicContact CD1-CD2 4.44Å; I198-F254 HydrophobicContact CD1-CE2 3.79Å; I198-F254 HydrophobicContact CD1-CZ 4.15Å; I198-F254 HydrophobicContact CG1-CE2 3.76Å; I198-F254 HydrophobicContact CG1-CZ 4.39Å; I198-F254 HydrophobicContact CG2-CD2 3.93Å; I198-F254 HydrophobicContact CG2-CE2 3.95Å; I198-F264 HydrophobicContact CG1-CZ 4.35Å
199V95.5Very high94.8Very high5 Ų511.2 Ų11.23%0.036%0.062CC..  trans-99.4-63.2-172-174.90000109.9F85 T87 P197 A201 C202 E203 D266 Y267F85-V199 HydrophobicContact CE1-CG1 4.12Å; T87-V199 HydrophobicContact CG2-CB 4.5Å; T87-V199 HydrophobicContact CG2-CG1 4.1Å; T87-V199 HydrophobicContact CG2-CG2 4.22Å; P197-V199 PolarHBondContact O-N 3.02Å; V199-A201 PolarHBondContact O-N 2.85Å; V199-C202 PolarHBondContact O-N 3.43Å; V199-E203 WeakPolarHBondContact O-CB 3.28Å; V199-E203 PolarHBondContact O-N 2.9Å; V199-D266 HydrophobicContact CB-CB 4.35Å; V199-D266 HydrophobicContact CG2-CB 4.15Å; V199-D266 PolarHBondContact N-OD2 3.4Å; V199-Y267 HydrophobicContact CG1-CD1 4.5Å; V199-Y267 HydrophobicContact CG2-CD1 3.82Å; V199-Y267 HydrophobicContact CG2-CD2 3.75Å; V199-Y267 HydrophobicContact CG2-CE1 3.7Å; V199-Y267 HydrophobicContact CG2-CE2 3.62Å; V199-Y267 HydrophobicContact CG2-CG 3.84Å
200S93.3Very high94.6Very high19 Ų1911.3 Ų11.313%0.1336%0.063CC..Hα-helixtrans-64.4-42.7-169177.30000112.2S204 D266S200-S204 WeakPolarHBondContact O-CB 3.5Å; S200-S204 PolarHBondContact O-N 3.33Å; S200-S204 PolarHBondContact O-OG 2.9Å; S200-D266 PolarHBondContact N-OD2 3.4Å
201A93.9Very high94.2Very high2 Ų212.8 Ų12.82%0.0177%0.071CC..Hα-helixtrans-69.9-43.4179.400000112F5 I198 V199 E203 S204 L205 I252F5-A201 HydrophobicContact CE1-CB 4.05Å; F5-A201 HydrophobicContact CZ-CB 3.64Å; I198-A201 HydrophobicContact CG2-CB 3.74Å; V199-A201 PolarHBondContact O-N 2.85Å; A201-E203 VanDerWaalsContact C-N 3.32Å; A201-E203 PolarHBondContact O-N 3.48Å; A201-S204 PolarHBondContact O-N 2.91Å; A201-L205 WeakPolarHBondContact O-CB 3.4Å; A201-L205 WeakPolarHBondContact O-CG 3.44Å; A201-L205 PolarHBondContact O-N 3.46Å; A201-I252 HydrophobicContact CB-CG2 3.52Å
202C95.7Very high93.8Very high0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-60.8-43.1177.4-75.90000111.7L192 I198 V199 L205 L206L192-C202 HydrophobicContact CD1-CB 4.28Å; I198-C202 WeakPolarHBondContact O-CB 3.41Å; I198-C202 PolarHBondContact O-SG 3.17Å; V199-C202 PolarHBondContact O-N 3.43Å; C202-L205 PolarHBondContact O-N 2.63Å; C202-L206 WeakPolarHBondContact O-CB 3.38Å; C202-L206 VanDerWaalsContact O-CG 3.31Å; C202-L206 WeakPolarHBondContact O-CG 3.46Å; C202-L206 PolarHBondContact O-N 3.19Å
203E96.1Very high93.4Very high47 Ų4714.3 Ų14.322%0.228%0.08CC..Hα-helixtrans-60.1-48.5175.5-173.8173.8-161.900111.9F85 V199 A201 R207F85-E203 HydrophobicContact CB-CG 4.23Å; F85-E203 HydrophobicContact CD1-CB 3.95Å; F85-E203 VanDerWaalsContact CD1-CD 3.47Å; F85-E203 HydrophobicContact CD1-CG 3.66Å; F85-E203 HydrophobicContact CD2-CB 4.01Å; F85-E203 HydrophobicContact CD2-CG 3.93Å; F85-E203 HydrophobicContact CE1-CB 3.68Å; F85-E203 HydrophobicContact CE1-CG 3.94Å; F85-E203 HydrophobicContact CE2-CB 3.74Å; F85-E203 HydrophobicContact CE2-CG 4.19Å; F85-E203 HydrophobicContact CG-CB 4.1Å; F85-E203 HydrophobicContact CG-CG 3.66Å; F85-E203 HydrophobicContact CZ-CB 3.57Å; F85-E203 HydrophobicContact CZ-CG 4.2Å; V199-E203 WeakPolarHBondContact O-CB 3.28Å; V199-E203 PolarHBondContact O-N 2.9Å; A201-E203 VanDerWaalsContact C-N 3.32Å; A201-E203 PolarHBondContact O-N 3.48Å; E203-R207 WeakPolarHBondContact O-CB 3.5Å; E203-R207 WeakPolarHBondContact O-CG 3.29Å; E203-R207 PolarHBondContact O-N 2.79Å; E203-R207 IonicContact OE1-CZ 3.72Å; E203-R207 IonicContact OE1-NH1 3.95Å; E203-R207 PolarHBondContact OE1-NH1 3.01Å; E203-R207 IonicContact OE1-NH2 2.65Å; E203-R207 PolarHBondContact OE1-NH2 3.42Å
204S93.5Very high93Very high5 Ų515.1 Ų15.14%0.0359%0.087CC..Hα-helixtrans-64-42.1178.6-78.10000112.8S200 A201 A208 H504S200-S204 WeakPolarHBondContact O-CB 3.5Å; S200-S204 PolarHBondContact O-N 3.33Å; S200-S204 PolarHBondContact O-OG 2.9Å; A201-S204 PolarHBondContact O-N 2.91Å; S204-A208 WeakPolarHBondContact O-CB 3.28Å; S204-A208 PolarHBondContact O-N 2.72Å; S204-H504 PolarHBondContact OG-NE2 2.89Å; S204-H504 VanDerWaalsContact OG-NE2 3.13Å
205L95.4Very high92.4Very high0 Ų016.2 Ų16.20%010%0.098CC..Hα-helixtrans-62.5-49.9176.9-73.8173000111.7F5 L192 A201 C202 R207 A208 L209 W229 M230 L234 L247 I252F5-L205 HydrophobicContact CE1-CD1 4.13Å; L192-L205 HydrophobicContact CD1-CB 3.86Å; L192-L205 HydrophobicContact CD1-CD1 4.01Å; A201-L205 WeakPolarHBondContact O-CB 3.4Å; A201-L205 WeakPolarHBondContact O-CG 3.44Å; A201-L205 PolarHBondContact O-N 3.46Å; C202-L205 PolarHBondContact O-N 2.63Å; L205-R207 PolarHBondContact O-N 3.34Å; L205-A208 PolarHBondContact O-N 3.16Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 PolarHBondContact O-N 3.43Å; L205-W229 HydrophobicContact CD2-CZ3 3.86Å; L205-M230 HydrophobicContact CB-SD 3.84Å; L205-M230 HydrophobicContact CD1-CG 4.39Å; L205-M230 HydrophobicContact CD1-SD 4.16Å; L205-M230 HydrophobicContact CD2-CG 4.09Å; L205-M230 HydrophobicContact CD2-SD 3.9Å; L205-M230 HydrophobicContact CG-SD 4.18Å; L205-L234 HydrophobicContact CD1-CD2 3.92Å; L205-L247 HydrophobicContact CD2-CD2 3.74Å; L205-I252 HydrophobicContact CD2-CD1 3.4Å; L205-I252 HydrophobicContact CG-CD1 3.76Å
206L96.7Very high92Very high0 Ų020.2 Ų20.20%010%0.104CC..Hα-helixtrans-64.3-40.7-179.2-73.5174.5000112F9 F85 G101 L103 L190 L192 C202 L209 L210F9-L206 HydrophobicContact CE2-CD2 4.26Å; F85-L206 HydrophobicContact CE2-CD1 4.27Å; G101-L206 WeakPolarHBondContact O-CD1 3.46Å; L103-L206 HydrophobicContact CB-CB 3.84Å; L103-L206 HydrophobicContact CB-CD1 3.97Å; L103-L206 HydrophobicContact CB-CG 4.42Å; L103-L206 HydrophobicContact CD2-CB 3.97Å; L103-L206 WeakPolarHBondContact CD2-O 3.31Å; L103-L206 HydrophobicContact CG-CB 4.48Å; L190-L206 HydrophobicContact CB-CD2 3.69Å; L192-L206 HydrophobicContact CD1-CD2 4.1Å; L192-L206 HydrophobicContact CD1-CG 3.85Å; L192-L206 HydrophobicContact CD2-CD2 4.45Å; L192-L206 HydrophobicContact CG-CD1 4.39Å; L192-L206 HydrophobicContact CG-CD2 3.75Å; L192-L206 HydrophobicContact CG-CG 3.95Å; C202-L206 WeakPolarHBondContact O-CB 3.38Å; C202-L206 VanDerWaalsContact O-CG 3.31Å; C202-L206 WeakPolarHBondContact O-CG 3.46Å; C202-L206 PolarHBondContact O-N 3.19Å; L206-L209 PolarHBondContact O-N 3.21Å; L206-L210 WeakPolarHBondContact O-CB 3.5Å; L206-L210 PolarHBondContact O-N 3.35Å
207R94.6Very high91.4Very high71 Ų7120.2 Ų20.227%0.26811%0.107SC..Hα-helixtrans-66.8-42.7176.6-73.4-156-176.41007.2112.3L103 E203 L205 L209 L210 D211L103-R207 HydrophobicContact CD1-CG 4.02Å; L103-R207 HydrophobicContact CD2-CG 4.06Å; E203-R207 WeakPolarHBondContact O-CB 3.5Å; E203-R207 WeakPolarHBondContact O-CG 3.29Å; E203-R207 PolarHBondContact O-N 2.79Å; E203-R207 IonicContact OE1-CZ 3.72Å; E203-R207 IonicContact OE1-NH1 3.95Å; E203-R207 PolarHBondContact OE1-NH1 3.01Å; E203-R207 IonicContact OE1-NH2 2.65Å; E203-R207 PolarHBondContact OE1-NH2 3.42Å; L205-R207 PolarHBondContact O-N 3.34Å; R207-L209 VanDerWaalsContact C-N 3.29Å; R207-L209 PolarHBondContact O-N 3.41Å; R207-L210 PolarHBondContact O-N 3.45Å; R207-D211 WeakPolarHBondContact O-CB 3.47Å; R207-D211 VanDerWaalsContact O-CG 3.29Å; R207-D211 PolarHBondContact O-N 2.79Å
208A92.8Very high90.4Very high0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-58.9-44.9174.600000111.1S204 L205 L210 D211 I212 L247S204-A208 WeakPolarHBondContact O-CB 3.28Å; S204-A208 PolarHBondContact O-N 2.72Å; L205-A208 PolarHBondContact O-N 3.16Å; A208-L210 PolarHBondContact O-N 3.21Å; A208-D211 PolarHBondContact O-N 2.92Å; A208-I212 VanDerWaalsContact O-CG1 3.26Å; A208-I212 WeakPolarHBondContact O-CG1 3.2Å; A208-I212 PolarHBondContact O-N 2.95Å; A208-L247 HydrophobicContact CB-CD2 3.6Å; A208-L247 HydrophobicContact CB-CG 3.81Å
209L93.5Very high89.5Confident0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-62.6-42.8178.9-173.468.7000111.9F9 L190 L205 L206 R207 I212 S213 L223 V227 M230 F674F9-L209 HydrophobicContact CE2-CD2 3.66Å; F9-L209 HydrophobicContact CZ-CD2 3.66Å; L190-L209 HydrophobicContact CD1-CD2 4.21Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 PolarHBondContact O-N 3.43Å; L206-L209 PolarHBondContact O-N 3.21Å; R207-L209 VanDerWaalsContact C-N 3.29Å; R207-L209 PolarHBondContact O-N 3.41Å; L209-I212 PolarHBondContact O-N 2.95Å; L209-S213 PolarHBondContact O-N 2.98Å; L209-S213 PolarHBondContact O-OG 2.92Å; L209-L223 HydrophobicContact CD1-CD2 3.98Å; L209-V227 HydrophobicContact CD1-CG2 3.98Å; L209-V227 HydrophobicContact CD2-CG2 4.02Å; L209-M230 HydrophobicContact CD1-CE 4.04Å; L209-M230 HydrophobicContact CD2-CE 3.93Å; L209-M230 HydrophobicContact CG-CE 4.35Å; L209-F674 HydrophobicContact CD1-CE2 4.29Å; L209-F674 HydrophobicContact CD2-CE2 3.84Å; L209-F674 HydrophobicContact CD2-CZ 3.91Å; L209-F674 HydrophobicContact CG-CE2 3.72Å; L209-F674 HydrophobicContact CG-CZ 4.2Å
210L93.2Very high88.7Confident2 Ų235.6 Ų35.61%0.0119%0.19CC..Hα-helixtrans-66.1-41.4176.3-174.362.4000111.9P83 L103 F105 L190 L206 R207 A208 I212 S213 S214 F672P83-L210 HydrophobicContact CB-CD2 4.07Å; P83-L210 HydrophobicContact CG-CD2 3.54Å; L103-L210 HydrophobicContact CD2-CB 3.91Å; L103-L210 HydrophobicContact CD2-CD2 3.69Å; L103-L210 HydrophobicContact CD2-CG 4.45Å; L103-L210 HydrophobicContact CG-CD2 4.45Å; F105-L210 HydrophobicContact CB-CD2 4.2Å; F105-L210 HydrophobicContact CD1-CD1 3.94Å; F105-L210 HydrophobicContact CD1-CD2 3.89Å; F105-L210 HydrophobicContact CD2-CD1 4.3Å; F105-L210 HydrophobicContact CE1-CD1 3.83Å; F105-L210 HydrophobicContact CE2-CD1 4.17Å; F105-L210 HydrophobicContact CG-CD1 4.18Å; F105-L210 HydrophobicContact CG-CD2 4.04Å; F105-L210 HydrophobicContact CZ-CD1 3.93Å; L190-L210 HydrophobicContact CD1-CB 4.5Å; L206-L210 WeakPolarHBondContact O-CB 3.5Å; L206-L210 PolarHBondContact O-N 3.35Å; R207-L210 PolarHBondContact O-N 3.45Å; A208-L210 PolarHBondContact O-N 3.21Å; L210-I212 VanDerWaalsContact C-N 3.32Å; L210-I212 PolarHBondContact O-N 2.9Å; L210-S213 WeakPolarHBondContact CA-OG 3.42Å; L210-S213 PolarHBondContact O-N 3.46Å; L210-S213 PolarHBondContact O-OG 3.48Å; L210-S214 WeakPolarHBondContact O-CB 3.27Å; L210-S214 PolarHBondContact O-N 3.26Å; L210-S214 PolarHBondContact O-OG 3.46Å; L210-F672 HydrophobicContact CD1-CB 4.45Å; L210-F672 HydrophobicContact CD1-CD1 4.4Å; L210-F672 HydrophobicContact CD2-CD1 3.75Å; L210-F672 HydrophobicContact CD2-CE1 4.14Å; L210-F672 HydrophobicContact CD2-CG 4.39Å; L210-F672 HydrophobicContact CG-CD1 3.97Å
211D90.8Very high88.3Confident31 Ų3136.1 Ų36.117%0.16619%0.191CC..Hα-helixtrans-60.6-40.9176.5-74.9-26.9000111.9R207 A208 G215 R216 S217 R250R207-D211 WeakPolarHBondContact O-CB 3.47Å; R207-D211 VanDerWaalsContact O-CG 3.29Å; R207-D211 PolarHBondContact O-N 2.79Å; A208-D211 PolarHBondContact O-N 2.92Å; D211-G215 PolarHBondContact O-N 3.45Å; D211-R216 HydrophobicContact CB-CB 4.33Å; D211-R216 PolarHBondContact O-N 3.45Å; D211-S217 PolarHBondContact O-N 2.7Å; D211-R250 IonicContact OD2-CZ 2.77Å; D211-R250 IonicContact OD2-NE 2.73Å; D211-R250 IonicContact OD2-NH2 3.63Å; D211-R250 PolarHBondContact OD2-NH2 2.85Å
212I89.8Confident88Confident16 Ų1637.3 Ų37.38%0.08220%0.199CC..Hα-helixtrans-61.5-54173.6-66.4163.3000110.2A208 L209 L210 S214 G215 V219 L223 Y226 V248A208-I212 VanDerWaalsContact O-CG1 3.26Å; A208-I212 WeakPolarHBondContact O-CG1 3.2Å; A208-I212 PolarHBondContact O-N 2.95Å; L209-I212 PolarHBondContact O-N 2.95Å; L210-I212 VanDerWaalsContact C-N 3.32Å; L210-I212 PolarHBondContact O-N 2.9Å; I212-S214 VanDerWaalsContact C-N 3.26Å; I212-S214 PolarHBondContact O-N 3.39Å; I212-G215 PolarHBondContact O-N 3.11Å; I212-V219 HydrophobicContact CB-CG2 4.15Å; I212-V219 HydrophobicContact CD1-CG2 4.43Å; I212-V219 HydrophobicContact CG1-CG2 3.84Å; I212-V219 HydrophobicContact CG2-CG2 3.39Å; I212-L223 HydrophobicContact CB-CD2 4.18Å; I212-L223 HydrophobicContact CG2-CD2 3.61Å; I212-Y226 HydrophobicContact CD1-CD1 4.01Å; I212-Y226 HydrophobicContact CD1-CD2 3.99Å; I212-Y226 HydrophobicContact CD1-CE1 3.98Å; I212-Y226 HydrophobicContact CD1-CE2 3.95Å; I212-Y226 HydrophobicContact CD1-CG 4.01Å; I212-Y226 HydrophobicContact CG2-CE2 4.23Å; I212-V248 HydrophobicContact CD1-CG2 3.35Å; I212-V248 HydrophobicContact CG1-CG2 3.63Å
213S89.4Confident87.8Confident17 Ų1738.3 Ų38.312%0.11920%0.204CC..Hα-helixtrans-61.8-34.1-176.265.80000113.3L209 L210 G215 H673 F674L209-S213 PolarHBondContact O-N 2.98Å; L209-S213 PolarHBondContact O-OG 2.92Å; L210-S213 WeakPolarHBondContact CA-OG 3.42Å; L210-S213 PolarHBondContact O-N 3.46Å; L210-S213 PolarHBondContact O-OG 3.48Å; S213-G215 PolarHBondContact O-N 2.84Å; S213-H673 WeakPolarHBondContact CB-O 3.36Å; S213-H673 PolarHBondContact OG-O 3.03Å; S213-F674 VanDerWaalsContact CB-CD2 3.48Å; S213-F674 WeakPolarHBondContact OG-CD2 3.31Å
214S87.5Confident87.6Confident24 Ų2437 Ų3717%0.16820%0.198CC..THydrogen-bonded Turntrans-83.91.6178.6-54.50000112.6L210 I212 R216 F672 H673L210-S214 WeakPolarHBondContact O-CB 3.27Å; L210-S214 PolarHBondContact O-N 3.26Å; L210-S214 PolarHBondContact O-OG 3.46Å; I212-S214 VanDerWaalsContact C-N 3.26Å; I212-S214 PolarHBondContact O-N 3.39Å; S214-R216 VanDerWaalsContact C-N 3.27Å; S214-R216 PolarHBondContact O-N 3.15Å; S214-F672 WeakPolarHBondContact OG-CA 3.44Å; S214-H673 PolarHBondContact OG-N 3.17Å
215G81.1Confident87.5Confident23 Ų2336.8 Ų36.824%0.23720%0.196CC..THydrogen-bonded Turntrans68.320.617800000114.9D211 I212 S213 S217D211-G215 PolarHBondContact O-N 3.45Å; I212-G215 PolarHBondContact O-N 3.11Å; S213-G215 PolarHBondContact O-N 2.84Å; G215-S217 VanDerWaalsContact C-N 3.28Å
216R80.5Confident87.3Confident111 Ų11137.2 Ų37.242%0.41920%0.198SC..SBendtrans-77.5-18.3173.8-65.4-177.6178.5-167.10.6112.5D211 S214D211-R216 HydrophobicContact CB-CB 4.33Å; D211-R216 PolarHBondContact O-N 3.45Å; S214-R216 VanDerWaalsContact C-N 3.27Å; S214-R216 PolarHBondContact O-N 3.15Å
217S77.9Confident87.2Confident33 Ų3337.2 Ų37.223%0.23120%0.198CC..SBendtrans-126.9122.4171.5-164.30000109.9D211 G215 V219 V248D211-S217 PolarHBondContact O-N 2.7Å; G215-S217 VanDerWaalsContact C-N 3.28Å; S217-V219 PolarHBondContact O-N 3.2Å; S217-V248 VanDerWaalsContact CB-CG1 3.45Å; S217-V248 WeakPolarHBondContact OG-CG1 3.5Å
218E72.7Confident87.1Confident188 Ų18834.6 Ų34.688%0.87919%0.188SC*.  trans-77.7112.4175.3-66.3-173.6170.300109.1
219V75.5Confident87Confident46 Ų4634.7 Ų34.728%0.27919%0.189SC..  trans-130.3148.6178.7-850000111.5I212 S217 Y226 V248I212-V219 HydrophobicContact CB-CG2 4.15Å; I212-V219 HydrophobicContact CD1-CG2 4.43Å; I212-V219 HydrophobicContact CG1-CG2 3.84Å; I212-V219 HydrophobicContact CG2-CG2 3.39Å; S217-V219 PolarHBondContact O-N 3.2Å; V219-Y226 WeakPolarHBondContact CB-OH 3.46Å; V219-Y226 WeakPolarHBondContact CG1-OH 3.29Å; V219-Y226 HydrophobicContact CG2-CE2 4.23Å; V219-V248 HydrophobicContact CG1-CG2 4.3Å
220P77.9Confident87Confident113 Ų11334.7 Ų34.773%0.73419%0.189SC*.SBendtrans-83.1-12.1-172.831.9-35.1000114.4
221L85.8Confident86.9Confident29 Ų2934.6 Ų34.615%0.15219%0.188CC..SBendtrans-100.2149.4-172.2-54.4178.1000111.9Y226 P652 P654L221-Y226 HydrophobicContact CB-CE2 3.7Å; L221-Y226 HydrophobicContact CD1-CE1 4.35Å; L221-P652 HydrophobicContact CD1-CB 3.98Å; L221-P652 WeakPolarHBondContact CD1-O 3.42Å; L221-P654 HydrophobicContact CD2-CB 4.24Å; L221-P654 HydrophobicContact CD2-CG 3.51Å
222P87.7Confident86.8Confident27 Ų2734 Ų3418%0.17518%0.184CC..  trans-64.3157.1169.829.4-35.7000111.6E224 S225 Y226P222-E224 PolarHBondContact O-N 2.64Å; P222-S225 WeakPolarHBondContact O-CB 3.39Å; P222-S225 PolarHBondContact O-N 3.15Å; P222-S225 VanDerWaalsContact O-N 3.12Å; P222-Y226 VanDerWaalsContact O-CD2 3.28Å; P222-Y226 WeakPolarHBondContact O-CD2 3.28Å
223L90.5Very high86.7Confident22 Ų2233.7 Ų33.712%0.11518%0.183CC..Hα-helixtrans-58.3-35179.5-77.6171.8000112L209 I212 S225 Y226 V227 F674 P675 L677L209-L223 HydrophobicContact CD1-CD2 3.98Å; I212-L223 HydrophobicContact CB-CD2 4.18Å; I212-L223 HydrophobicContact CG2-CD2 3.61Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.03Å; L223-Y226 WeakPolarHBondContact O-CB 3.32Å; L223-Y226 PolarHBondContact O-N 2.94Å; L223-Y226 VanDerWaalsContact O-N 3.1Å; L223-V227 PolarHBondContact O-N 3.4Å; L223-V227 VanDerWaalsContact O-N 3.13Å; L223-F674 HydrophobicContact CD1-CE2 4.26Å; L223-F674 HydrophobicContact CD1-CZ 4.46Å; L223-F674 HydrophobicContact CD2-CE2 4.31Å; L223-P675 HydrophobicContact CD1-CG 3.58Å; L223-L677 HydrophobicContact CB-CD2 3.65Å; L223-L677 HydrophobicContact CD1-CD2 4.24Å
224E91.8Very high86.7Confident18 Ų1833 Ų338%0.08418%0.178CC..Hα-helixtrans-58.8-37.9178.5-67.282175.900111.9P222 Y226 V227 Y228 L655 R663 L677 D678 L681 L682P222-E224 PolarHBondContact O-N 2.64Å; E224-Y226 VanDerWaalsContact C-N 3.3Å; E224-Y226 PolarHBondContact O-N 2.93Å; E224-V227 PolarHBondContact O-N 3.19Å; E224-Y228 WeakPolarHBondContact O-CB 3.38Å; E224-Y228 PolarHBondContact O-N 3.16Å; E224-L655 HydrophobicContact CB-CD1 4.29Å; E224-R663 IonicContact OE1-NH2 3.98Å; E224-L677 HydrophobicContact CG-CB 4.23Å; E224-L677 HydrophobicContact CG-CD2 4.43Å; E224-D678 HydrophobicContact CG-CB 4.35Å; E224-D678 PolarHBondContact OE1-N 3.43Å; E224-D678 VanDerWaalsContact OE1-N 3.15Å; E224-L681 HydrophobicContact CB-CB 4.29Å; E224-L681 HydrophobicContact CB-CD1 4.18Å; E224-L681 HydrophobicContact CG-CB 4.42Å; E224-L681 HydrophobicContact CG-CD1 4.13Å; E224-L682 HydrophobicContact CB-CD2 4.15Å; E224-L682 VanDerWaalsContact O-CD2 3.3Å; E224-L682 WeakPolarHBondContact O-CD2 3.39Å
225S91.3Very high86.6Confident1 Ų132.8 Ų32.81%0.00718%0.175CC..Hα-helixtrans-59.7-39.9175.2-79.20000112.6P222 L223 W229 H653 L655P222-S225 WeakPolarHBondContact O-CB 3.39Å; P222-S225 PolarHBondContact O-N 3.15Å; P222-S225 VanDerWaalsContact O-N 3.12Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.03Å; S225-W229 VanDerWaalsContact O-CB 3.28Å; S225-W229 WeakPolarHBondContact O-CB 3.23Å; S225-W229 PolarHBondContact O-N 3.49Å; S225-W229 VanDerWaalsContact O-N 3.08Å; S225-H653 VanDerWaalsContact CB-O 3.24Å; S225-H653 WeakPolarHBondContact CB-O 3.32Å; S225-H653 PolarHBondContact OG-O 2.97Å; S225-L655 PolarHBondContact OG-N 3.37Å
226Y92.4Very high86.8Confident10 Ų1032.6 Ų32.64%0.03917%0.169CC..Hα-helixtrans-71.9-43.1179.4-63-74.8000111.7I212 V219 L221 P222 L223 E224 W229 M230 L247 P652I212-Y226 HydrophobicContact CD1-CD1 4.01Å; I212-Y226 HydrophobicContact CD1-CD2 3.99Å; I212-Y226 HydrophobicContact CD1-CE1 3.98Å; I212-Y226 HydrophobicContact CD1-CE2 3.95Å; I212-Y226 HydrophobicContact CD1-CG 4.01Å; I212-Y226 HydrophobicContact CG2-CE2 4.23Å; V219-Y226 WeakPolarHBondContact CB-OH 3.46Å; V219-Y226 WeakPolarHBondContact CG1-OH 3.29Å; V219-Y226 HydrophobicContact CG2-CE2 4.23Å; L221-Y226 HydrophobicContact CB-CE2 3.7Å; L221-Y226 HydrophobicContact CD1-CE1 4.35Å; P222-Y226 VanDerWaalsContact O-CD2 3.28Å; P222-Y226 WeakPolarHBondContact O-CD2 3.28Å; L223-Y226 WeakPolarHBondContact O-CB 3.32Å; L223-Y226 PolarHBondContact O-N 2.94Å; L223-Y226 VanDerWaalsContact O-N 3.1Å; E224-Y226 VanDerWaalsContact C-N 3.3Å; E224-Y226 PolarHBondContact O-N 2.93Å; Y226-W229 PolarHBondContact O-N 3.32Å; Y226-M230 WeakPolarHBondContact O-CE 3.25Å; Y226-M230 WeakPolarHBondContact O-CG 3.36Å; Y226-M230 PolarHBondContact O-N 3.03Å; Y226-L247 HydrophobicContact CD1-CD1 3.45Å; Y226-L247 VanDerWaalsContact CD1-CD1 3.45Å; Y226-L247 HydrophobicContact CE1-CD1 3.75Å; Y226-P652 HydrophobicContact CD1-CB 3.78Å; Y226-P652 HydrophobicContact CD1-CG 3.64Å; Y226-P652 HydrophobicContact CE1-CB 3.92Å; Y226-P652 HydrophobicContact CE1-CG 3.89Å
227V94.3Very high87.1Confident0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-68.2-42.4179.6176.80000111.1F9 L209 L223 E224 W229 M230 L231 L677 L682F9-V227 HydrophobicContact CB-CG1 4.05Å; F9-V227 HydrophobicContact CD1-CG1 3.62Å; F9-V227 HydrophobicContact CD1-CG2 4.29Å; F9-V227 HydrophobicContact CE1-CG1 4.28Å; F9-V227 HydrophobicContact CE1-CG2 4.15Å; F9-V227 HydrophobicContact CG-CG1 3.91Å; F9-V227 HydrophobicContact CZ-CG2 4.44Å; L209-V227 HydrophobicContact CD1-CG2 3.98Å; L209-V227 HydrophobicContact CD2-CG2 4.02Å; L223-V227 PolarHBondContact O-N 3.4Å; L223-V227 VanDerWaalsContact O-N 3.13Å; E224-V227 PolarHBondContact O-N 3.19Å; V227-W229 VanDerWaalsContact C-N 3.31Å; V227-W229 PolarHBondContact O-N 3.21Å; V227-M230 HydrophobicContact CB-CE 4.47Å; V227-M230 HydrophobicContact CG2-CE 4.02Å; V227-M230 PolarHBondContact O-N 3.44Å; V227-L231 HydrophobicContact CG1-CD1 3.82Å; V227-L231 HydrophobicContact CG1-CG 4.38Å; V227-L231 WeakPolarHBondContact O-CG 3.42Å; V227-L231 PolarHBondContact O-N 3.33Å; V227-L677 HydrophobicContact CB-CD1 4.15Å; V227-L677 HydrophobicContact CG1-CD1 4.22Å; V227-L677 HydrophobicContact CG2-CD1 3.67Å; V227-L682 HydrophobicContact CB-CD1 4.47Å; V227-L682 HydrophobicContact CB-CD2 3.89Å; V227-L682 HydrophobicContact CG1-CD1 3.99Å; V227-L682 HydrophobicContact CG1-CD2 3.9Å
228Y92.1Very high87.4Confident15 Ų1527.6 Ų27.66%0.05915%0.15CC..Hα-helixtrans-57.8-45.3172.5-176.5-82.7000111.4E224 M230 L231 H232 E233 L655 L681E224-Y228 WeakPolarHBondContact O-CB 3.38Å; E224-Y228 PolarHBondContact O-N 3.16Å; Y228-M230 VanDerWaalsContact C-N 3.35Å; Y228-M230 PolarHBondContact O-N 2.91Å; Y228-L231 PolarHBondContact O-N 2.97Å; Y228-H232 AromaticContact CD2-CD2 3.51Å; Y228-H232 HydrophobicContact CE1-CB 4.2Å; Y228-H232 AromaticContact CE2-CD2 3.53Å; Y228-H232 AromaticContact CG-CD2 3.93Å; Y228-H232 AromaticContact CZ-CD2 3.98Å; Y228-H232 PolarHBondContact O-N 3.02Å; Y228-E233 HydrophobicContact CD1-CG 3.97Å; Y228-E233 HydrophobicContact CE1-CG 3.81Å; Y228-L655 HydrophobicContact CD1-CD2 3.51Å; Y228-L655 HydrophobicContact CD2-CD1 4.18Å; Y228-L655 HydrophobicContact CD2-CD2 4.06Å; Y228-L655 HydrophobicContact CE1-CD2 3.96Å; Y228-L655 HydrophobicContact CE2-CD2 4.45Å; Y228-L655 HydrophobicContact CG-CD1 3.93Å; Y228-L655 HydrophobicContact CG-CD2 3.58Å; Y228-L655 HydrophobicContact CG-CG 4.4Å; Y228-L681 WeakPolarHBondContact CD2-O 3.11Å
229W91Very high88.1Confident2 Ų222.5 Ų22.51%0.00813%0.133CC..Iπ-helixtrans-59-44.6177.3177.189000112L205 S225 Y226 V227 L231 E233 L234 A245 V649 P650 P652L205-W229 HydrophobicContact CD2-CZ3 3.86Å; S225-W229 VanDerWaalsContact O-CB 3.28Å; S225-W229 WeakPolarHBondContact O-CB 3.23Å; S225-W229 PolarHBondContact O-N 3.49Å; S225-W229 VanDerWaalsContact O-N 3.08Å; Y226-W229 PolarHBondContact O-N 3.32Å; V227-W229 VanDerWaalsContact C-N 3.31Å; V227-W229 PolarHBondContact O-N 3.21Å; W229-L231 PolarHBondContact O-N 3.46Å; W229-E233 HydrophobicContact CB-CB 4.41Å; W229-E233 HydrophobicContact CG-CB 4.15Å; W229-E233 CarbonylContact O-C 3.58Å; W229-E233 VanDerWaalsContact O-CA 3.28Å; W229-E233 WeakPolarHBondContact O-CA 3.33Å; W229-E233 WeakPolarHBondContact O-CB 3.4Å; W229-E233 PolarHBondContact O-N 3.43Å; W229-L234 HydrophobicContact CH2-CD1 3.87Å; W229-L234 HydrophobicContact CH2-CD2 4.16Å; W229-L234 HydrophobicContact CH2-CG 4.42Å; W229-L234 HydrophobicContact CZ2-CD1 4.09Å; W229-L234 HydrophobicContact CZ3-CD2 4.11Å; W229-L234 PolarHBondContact O-N 2.9Å; W229-A245 HydrophobicContact CH2-CB 3.67Å; W229-A245 HydrophobicContact CZ2-CB 3.92Å; W229-V649 HydrophobicContact CZ2-CB 4.3Å; W229-V649 HydrophobicContact CZ2-CG1 3.59Å; W229-P650 PolarHBondContact NE1-O 3.47Å; W229-P652 HydrophobicContact CB-CB 4.09Å; W229-P652 HydrophobicContact CB-CG 4.22Å; W229-P652 HydrophobicContact CD2-CG 3.83Å; W229-P652 HydrophobicContact CE3-CG 4.18Å; W229-P652 HydrophobicContact CG-CB 4.06Å; W229-P652 HydrophobicContact CG-CG 3.83Å
230M93.5Very high88.7Confident1 Ų121.4 Ų21.41%0.00513%0.132CC..Iπ-helixtrans-64-38.3176.6-71.6-176.8-8000113.3V6 L192 L205 L209 Y226 V227 Y228V6-M230 HydrophobicContact CG2-CB 4.44Å; L192-M230 HydrophobicContact CD2-SD 4.36Å; L205-M230 HydrophobicContact CB-SD 3.84Å; L205-M230 HydrophobicContact CD1-CG 4.39Å; L205-M230 HydrophobicContact CD1-SD 4.16Å; L205-M230 HydrophobicContact CD2-CG 4.09Å; L205-M230 HydrophobicContact CD2-SD 3.9Å; L205-M230 HydrophobicContact CG-SD 4.18Å; L209-M230 HydrophobicContact CD1-CE 4.04Å; L209-M230 HydrophobicContact CD2-CE 3.93Å; L209-M230 HydrophobicContact CG-CE 4.35Å; Y226-M230 WeakPolarHBondContact O-CE 3.25Å; Y226-M230 WeakPolarHBondContact O-CG 3.36Å; Y226-M230 PolarHBondContact O-N 3.03Å; V227-M230 HydrophobicContact CB-CE 4.47Å; V227-M230 HydrophobicContact CG2-CE 4.02Å; V227-M230 PolarHBondContact O-N 3.44Å; Y228-M230 VanDerWaalsContact C-N 3.35Å; Y228-M230 PolarHBondContact O-N 2.91Å
231L92Very high89.3Confident0 Ų021.6 Ų21.60%012%0.118CC..Iπ-helixtrans-79.3-40.1-174.3-72.5172.5000113.7V6 F9 R53 V227 Y228 W229V6-L231 HydrophobicContact CB-CD2 4.36Å; V6-L231 HydrophobicContact CG1-CD2 3.88Å; F9-L231 HydrophobicContact CB-CD1 4.32Å; F9-L231 HydrophobicContact CB-CD2 4.1Å; F9-L231 HydrophobicContact CB-CG 4.45Å; R53-L231 PolarHBondContact NH2-O 3.46Å; V227-L231 HydrophobicContact CG1-CD1 3.82Å; V227-L231 HydrophobicContact CG1-CG 4.38Å; V227-L231 WeakPolarHBondContact O-CG 3.42Å; V227-L231 PolarHBondContact O-N 3.33Å; Y228-L231 PolarHBondContact O-N 2.97Å; W229-L231 PolarHBondContact O-N 3.46Å
232H87.8Confident89.5Confident17 Ų1720.2 Ų20.28%0.07911%0.111CC..Iπ-helixtrans-120.6-18.9-166.5-55.8-59.4000113.2Y228 L682Y228-H232 AromaticContact CD2-CD2 3.51Å; Y228-H232 HydrophobicContact CE1-CB 4.2Å; Y228-H232 AromaticContact CE2-CD2 3.53Å; Y228-H232 AromaticContact CG-CD2 3.93Å; Y228-H232 AromaticContact CZ-CD2 3.98Å; Y228-H232 PolarHBondContact O-N 3.02Å; H232-L682 PolarHBondContact NE2-O 2.89Å
233E87.2Confident89.6Confident10 Ų1019 Ų195%0.04710%0.103CC..Iπ-helixtrans-114.3-19.3-171-50-148.3134.400115.8Y228 W229 P235 H653 W695Y228-E233 HydrophobicContact CD1-CG 3.97Å; Y228-E233 HydrophobicContact CE1-CG 3.81Å; W229-E233 HydrophobicContact CB-CB 4.41Å; W229-E233 HydrophobicContact CG-CB 4.15Å; W229-E233 CarbonylContact O-C 3.58Å; W229-E233 VanDerWaalsContact O-CA 3.28Å; W229-E233 WeakPolarHBondContact O-CA 3.33Å; W229-E233 WeakPolarHBondContact O-CB 3.4Å; W229-E233 PolarHBondContact O-N 3.43Å; E233-P235 WeakPolarHBondContact O-CD 3.37Å; E233-H653 IonicContact OE1-CE1 3.47Å; E233-H653 IonicContact OE1-NE2 3.16Å; E233-H653 PolarHBondContact OE1-NE2 3.34Å; E233-H653 IonicContact OE2-CD2 3.63Å; E233-H653 PolarHBondContact OE2-CD2 2.9Å; E233-H653 IonicContact OE2-NE2 2.69Å; E233-H653 PolarHBondContact OE2-NE2 2.93Å; E233-H653 VanDerWaalsContact OE2-NE2 3.17Å; E233-W695 HydrophobicContact CB-CH2 3.15Å; E233-W695 HydrophobicContact CB-CZ2 3.89Å; E233-W695 HydrophobicContact CB-CZ3 3.57Å; E233-W695 HydrophobicContact CG-CH2 3.38Å; E233-W695 HydrophobicContact CG-CZ2 4.4Å; E233-W695 HydrophobicContact CG-CZ3 3.85Å; E233-W695 VanDerWaalsContact O-CZ2 3.25Å; E233-W695 WeakPolarHBondContact O-CZ2 2.96Å
234L89.1Confident89.5Confident4 Ų418.3 Ų18.32%0.02110%0.099CC..SBendtrans-87.3107.1173.1-173.359.1000109.5F5 L205 W229 L243 A245 V649F5-L234 HydrophobicContact CB-CB 4.16Å; F5-L234 HydrophobicContact CB-CD2 4.11Å; F5-L234 HydrophobicContact CB-CG 3.73Å; F5-L234 WeakPolarHBondContact CB-O 3.39Å; F5-L234 HydrophobicContact CD1-CD2 3.46Å; F5-L234 VanDerWaalsContact CD1-CD2 3.46Å; F5-L234 HydrophobicContact CD1-CG 4.01Å; F5-L234 HydrophobicContact CD2-CD2 4.46Å; F5-L234 HydrophobicContact CD2-CG 4.27Å; F5-L234 HydrophobicContact CE1-CD2 3.91Å; F5-L234 HydrophobicContact CG-CD2 3.77Å; F5-L234 HydrophobicContact CG-CG 3.76Å; F5-L234 PolarHBondContact N-O 3.28Å; L205-L234 HydrophobicContact CD1-CD2 3.92Å; W229-L234 HydrophobicContact CH2-CD1 3.87Å; W229-L234 HydrophobicContact CH2-CD2 4.16Å; W229-L234 HydrophobicContact CH2-CG 4.42Å; W229-L234 HydrophobicContact CZ2-CD1 4.09Å; W229-L234 HydrophobicContact CZ3-CD2 4.11Å; W229-L234 PolarHBondContact O-N 2.9Å; L234-L243 HydrophobicContact CD1-CD1 4.5Å; L234-A245 HydrophobicContact CD1-CB 4.12Å; L234-V649 HydrophobicContact CD1-CB 4.37Å; L234-V649 HydrophobicContact CD1-CG1 4.04Å; L234-V649 HydrophobicContact CD1-CG2 3.9Å
235P85.9Confident89.3Confident18 Ų1817.6 Ų17.612%0.11710%0.096CC..BIsolated β-bridgetrans-82.4153.8-178.134.2-35.1000111.4E233 L243 F702E233-P235 WeakPolarHBondContact O-CD 3.37Å; P235-L243 WeakPolarHBondContact O-CD2 3.39Å; P235-F702 HydrophobicContact CB-CD1 4.36Å; P235-F702 HydrophobicContact CB-CE1 4.08Å; P235-F702 HydrophobicContact CB-CZ 4.48Å
236L86.3Confident89Confident19 Ų1919.4 Ų19.410%0.09911%0.108CC..PPolyproline II helixtrans-79.5125.9160-170.571.4000108.4S3 F5 L196 I198 F254 F702S3-L236 WeakPolarHBondContact O-CB 3.22Å; S3-L236 PolarHBondContact O-N 3.45Å; F5-L236 HydrophobicContact CD2-CD1 4.23Å; L196-L236 HydrophobicContact CD1-CD1 3.91Å; L196-L236 HydrophobicContact CD1-CD2 3.88Å; L196-L236 HydrophobicContact CD1-CG 4.5Å; I198-L236 HydrophobicContact CD1-CD1 4.34Å; L236-F254 HydrophobicContact CD1-CE1 3.68Å; L236-F254 HydrophobicContact CD1-CZ 3.77Å; L236-F702 WeakPolarHBondContact O-CE1 3.38Å
237P86.3Confident88.7Confident1 Ų119 Ų191%0.00611%0.107CC..PPolyproline II helixtrans-69.3154.6179.530-27.2000110.5R241 L243 F254 Y256 Y647P237-R241 HydrophobicContact CB-CB 4.28Å; P237-L243 HydrophobicContact CB-CD2 4.11Å; P237-L243 VanDerWaalsContact CD-CD2 3.47Å; P237-L243 HydrophobicContact CG-CD2 3.77Å; P237-L243 HydrophobicContact CG-CG 4.12Å; P237-F254 VanDerWaalsContact CD-CE1 3.46Å; P237-F254 HydrophobicContact CG-CD1 3.52Å; P237-F254 HydrophobicContact CG-CE1 3.62Å; P237-Y256 WeakPolarHBondContact O-CD1 3.36Å; P237-Y647 HydrophobicContact CB-CD2 4.09Å; P237-Y647 HydrophobicContact CB-CE2 4.21Å
238P85.2Confident88Confident38 Ų3821.1 Ų21.125%0.24712%0.12CC..PPolyproline II helixtrans-62.1157174.4-19.833.6000111.7G240 R241 F702P238-G240 PolarHBondContact O-N 2.94Å; P238-R241 HydrophobicContact CB-CG 4.35Å; P238-R241 WeakPolarHBondContact O-CB 3.39Å; P238-R241 PolarHBondContact O-N 3.21Å; P238-F702 HydrophobicContact CG-CE1 4.14Å; P238-F702 HydrophobicContact CG-CZ 4.38Å
239P87.2Confident87.3Confident81 Ų8124.2 Ų24.253%0.52616%0.156SC..THydrogen-bonded Turntrans-51.3137.1173.1-24.231.1000112.3Y256P239-Y256 HydrophobicContact CB-CD1 4.21Å; P239-Y256 HydrophobicContact CB-CE1 4.19Å; P239-Y256 HydrophobicContact CG-CD1 4.03Å; P239-Y256 HydrophobicContact CG-CE1 3.65Å
240G87.8Confident87.1Confident24 Ų2428.2 Ų28.225%0.24717%0.171CC..THydrogen-bonded Turntrans88.9-6.3-178.800000114.8P238 Y256 P257 R641P238-G240 PolarHBondContact O-N 2.94Å; G240-Y256 CarbonylContact C-O 3.55Å; G240-Y256 VanDerWaalsContact CA-O 3.24Å; G240-Y256 WeakPolarHBondContact CA-O 3.47Å; G240-Y256 PolarHBondContact N-O 3.32Å; G240-P257 VanDerWaalsContact N-C 3.34Å; G240-P257 PolarHBondContact N-O 3.39Å; G240-R641 PolarHBondContact O-NE 3.42Å; G240-R641 PolarHBondContact O-NH2 3.37Å
241R89.3Confident86.7Confident117 Ų11729.5 Ų29.544%0.44218%0.179SC..  trans-111.6161.3-170.8-57-69.7-177.4160.40.1113.5P237 P238 Y256 D646 Y647P237-R241 HydrophobicContact CB-CB 4.28Å; P238-R241 HydrophobicContact CB-CG 4.35Å; P238-R241 WeakPolarHBondContact O-CB 3.39Å; P238-R241 PolarHBondContact O-N 3.21Å; R241-Y256 PolarHBondContact N-O 3.22Å; R241-Y256 PolarHBondContact O-N 3.15Å; R241-D646 WeakPolarHBondContact CA-OD2 3.44Å; R241-D646 HydrophobicContact CB-CB 4.26Å; R241-D646 WeakPolarHBondContact CB-OD2 3.18Å; R241-D646 VanDerWaalsContact CD-OD1 3.32Å; R241-D646 WeakPolarHBondContact CD-OD1 3.28Å; R241-D646 VanDerWaalsContact CD-OD2 3.3Å; R241-D646 WeakPolarHBondContact CD-OD2 3.34Å; R241-D646 IonicContact CZ-OD1 3.33Å; R241-D646 IonicContact NE-OD1 2.75Å; R241-D646 IonicContact NH1-OD1 3.72Å; R241-D646 PolarHBondContact NH1-OD1 2.89Å; R241-Y647 HydrophobicContact CB-CD2 4.41Å; R241-Y647 HydrophobicContact CB-CE2 3.72Å; R241-Y647 HydrophobicContact CG-CE2 4.06Å
242S89.9Confident86.6Confident0 Ų029.8 Ų29.80%018%0.18CC..EExtended strand (participates in β ladder)trans-119151.517660.30000112.7F254 M645 D646 Y647S242-F254 CarbonylContact C-O 3.56Å; S242-F254 WeakPolarHBondContact CA-O 3.15Å; S242-M645 PolarHBondContact OG-SD 3Å; S242-M645 VanDerWaalsContact OG-SD 3.37Å; S242-D646 PolarHBondContact N-OD2 3.29Å; S242-D646 WeakPolarHBondContact O-CB 3.34Å; S242-D646 PolarHBondContact O-N 3.17Å; S242-D646 PolarHBondContact OG-N 3.31Å; S242-D646 PolarHBondContact OG-OD2 3Å; S242-Y647 VanDerWaalsContact O-CD2 3.3Å; S242-Y647 WeakPolarHBondContact O-CD2 3.49Å; S242-Y647 PolarHBondContact O-N 3.43Å; S242-Y647 VanDerWaalsContact O-N 3.15Å
243L89.9Confident86.7Confident2 Ų229.1 Ų29.11%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-130.9152.2170.270.878.1000112L234 P235 P237 V253 F254 M645 Y647 V649L234-L243 HydrophobicContact CD1-CD1 4.5Å; P235-L243 WeakPolarHBondContact O-CD2 3.39Å; P237-L243 HydrophobicContact CB-CD2 4.11Å; P237-L243 VanDerWaalsContact CD-CD2 3.47Å; P237-L243 HydrophobicContact CG-CD2 3.77Å; P237-L243 HydrophobicContact CG-CG 4.12Å; L243-V253 WeakPolarHBondContact O-CA 3.37Å; L243-F254 HydrophobicContact CD1-CB 3.97Å; L243-F254 HydrophobicContact CG-CB 4.08Å; L243-F254 HydrophobicContact CG-CD1 4.34Å; L243-F254 PolarHBondContact N-O 2.92Å; L243-F254 PolarHBondContact O-N 3.23Å; L243-M645 VanDerWaalsContact CA-SD 3.59Å; L243-Y647 CarbonylContact C-O 3.55Å; L243-Y647 VanDerWaalsContact CA-O 3.3Å; L243-Y647 WeakPolarHBondContact CA-O 3.42Å; L243-V649 HydrophobicContact CD1-CG2 4.24Å
244K89Confident86.9Confident7 Ų728.7 Ų28.73%0.0318%0.175CC..EExtended strand (participates in β ladder)trans-119.5133.3170.6175-158.8166.1-166.20108.4S246 I252 V253 D495 Y499 M645 Y647 Q648 V649K244-S246 WeakPolarHBondContact CE-OG 3.09Å; K244-I252 CarbonylContact C-O 3.5Å; K244-I252 WeakPolarHBondContact CA-O 3.41Å; K244-V253 HydrophobicContact CB-CG1 4.45Å; K244-D495 PolarHBondContact NZ-O 3.36Å; K244-Y499 HydrophobicContact CD-CD1 3.79Å; K244-Y499 HydrophobicContact CD-CG 4.09Å; K244-M645 HydrophobicContact CB-CE 4.12Å; K244-M645 HydrophobicContact CB-CG 3.75Å; K244-M645 HydrophobicContact CB-SD 3.93Å; K244-M645 PolarHBondContact N-SD 3.35Å; K244-Y647 PolarHBondContact N-O 3.4Å; K244-Q648 HydrophobicContact CD-CG 4.47Å; K244-Q648 CarbonylContact O-C 3.6Å; K244-Q648 WeakPolarHBondContact O-CA 3.46Å; K244-V649 PolarHBondContact O-N 2.92Å
245A88.5Confident87Confident2 Ų228.9 Ų28.92%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-126.4155.2164.200000109.6W229 L234 I252 V649W229-A245 HydrophobicContact CH2-CB 3.67Å; W229-A245 HydrophobicContact CZ2-CB 3.92Å; L234-A245 HydrophobicContact CD1-CB 4.12Å; A245-I252 PolarHBondContact N-O 3.2Å; A245-I252 PolarHBondContact O-N 3.4Å; A245-I252 VanDerWaalsContact O-O 3.11Å; A245-V649 HydrophobicContact CB-CB 3.92Å; A245-V649 HydrophobicContact CB-CG2 4.18Å
246S85.3Confident87.3Confident39 Ų3930.8 Ų30.827%0.27318%0.181SC..EExtended strand (participates in β ladder)trans-128124.4176.8-56.30000109K244 R250 D251K244-S246 WeakPolarHBondContact CE-OG 3.09Å; S246-R250 WeakPolarHBondContact CA-O 3.43Å; S246-D251 WeakPolarHBondContact CB-OD1 3.46Å; S246-D251 PolarHBondContact OG-OD1 3.42Å
247L85.3Confident87.5Confident2 Ų231 Ų311%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-131.2114.3-179.3-179.961.7000109.1L205 A208 Y226 G249 R250 I252 P652L205-L247 HydrophobicContact CD2-CD2 3.74Å; A208-L247 HydrophobicContact CB-CD2 3.6Å; A208-L247 HydrophobicContact CB-CG 3.81Å; Y226-L247 HydrophobicContact CD1-CD1 3.45Å; Y226-L247 VanDerWaalsContact CD1-CD1 3.45Å; Y226-L247 HydrophobicContact CE1-CD1 3.75Å; L247-G249 VanDerWaalsContact C-N 3.34Å; L247-G249 PolarHBondContact O-N 3.28Å; L247-R250 PolarHBondContact N-O 2.9Å; L247-R250 VanDerWaalsContact O-CB 3.32Å; L247-R250 WeakPolarHBondContact O-CB 3.41Å; L247-R250 PolarHBondContact O-N 3.07Å; L247-I252 HydrophobicContact CB-CD1 4.27Å; L247-P652 HydrophobicContact CD1-CG 3.92Å
248V80Confident87.5Confident44 Ų4431.8 Ų31.827%0.26719%0.192SC..THydrogen-bonded Turntrans55.946.4175.4-165.30000112.3I212 S217 V219 R250I212-V248 HydrophobicContact CD1-CG2 3.35Å; I212-V248 HydrophobicContact CG1-CG2 3.63Å; S217-V248 VanDerWaalsContact CB-CG1 3.45Å; S217-V248 WeakPolarHBondContact OG-CG1 3.5Å; V219-V248 HydrophobicContact CG1-CG2 4.3Å; V248-R250 PolarHBondContact O-N 3.36Å; V248-R250 VanDerWaalsContact O-N 3.1Å
249G77.7Confident87.5Confident81 Ų8133.4 Ų33.484%0.83521%0.209SC*.THydrogen-bonded Turntrans70.20.6-177.300000115.2L247L247-G249 VanDerWaalsContact C-N 3.34Å; L247-G249 PolarHBondContact O-N 3.28Å
250R85.2Confident87.4Confident85 Ų8534.8 Ų34.832%0.32121%0.212SC..EExtended strand (participates in β ladder)trans-92.4116.5170.3-59.7175.7-179.3-115.95.1109D211 S246 L247 V248D211-R250 IonicContact OD2-CZ 2.77Å; D211-R250 IonicContact OD2-NE 2.73Å; D211-R250 IonicContact OD2-NH2 3.63Å; D211-R250 PolarHBondContact OD2-NH2 2.85Å; S246-R250 WeakPolarHBondContact CA-O 3.43Å; L247-R250 PolarHBondContact N-O 2.9Å; L247-R250 VanDerWaalsContact O-CB 3.32Å; L247-R250 WeakPolarHBondContact O-CB 3.41Å; L247-R250 PolarHBondContact O-N 3.07Å; V248-R250 PolarHBondContact O-N 3.36Å; V248-R250 VanDerWaalsContact O-N 3.1Å
251D86.9Confident87.5Confident29 Ų2934.7 Ų34.716%0.15521%0.205CC..EExtended strand (participates in β ladder)trans-79.2127.7169.1-71.7-35.6000110S246 C505S246-D251 WeakPolarHBondContact CB-OD1 3.46Å; S246-D251 PolarHBondContact OG-OD1 3.42Å; D251-C505 WeakPolarHBondContact CB-SG 3.47Å
252I88.6Confident87.7Confident5 Ų529.4 Ų29.43%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-115.8120.6-179-56.5176.5000106.6A201 L205 K244 A245 L247A201-I252 HydrophobicContact CB-CG2 3.52Å; L205-I252 HydrophobicContact CD2-CD1 3.4Å; L205-I252 HydrophobicContact CG-CD1 3.76Å; K244-I252 CarbonylContact C-O 3.5Å; K244-I252 WeakPolarHBondContact CA-O 3.41Å; A245-I252 PolarHBondContact N-O 3.2Å; A245-I252 PolarHBondContact O-N 3.4Å; A245-I252 VanDerWaalsContact O-O 3.11Å; L247-I252 HydrophobicContact CB-CD1 4.27Å
253V90.8Very high87.8Confident3 Ų331.1 Ų31.12%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-114.5145176.1-70.50000109.3L243 K244 Y499 C505 Y508 F509 M645L243-V253 WeakPolarHBondContact O-CA 3.37Å; K244-V253 HydrophobicContact CB-CG1 4.45Å; V253-Y499 HydrophobicContact CG1-CD2 3.99Å; V253-C505 HydrophobicContact CG1-CB 4.18Å; V253-C505 HydrophobicContact CG2-CB 4.03Å; V253-Y508 HydrophobicContact CB-CD1 4.46Å; V253-Y508 HydrophobicContact CG2-CD1 3.42Å; V253-Y508 VanDerWaalsContact CG2-CD1 3.42Å; V253-Y508 HydrophobicContact CG2-CE1 4.05Å; V253-Y508 HydrophobicContact CG2-CG 3.81Å; V253-F509 HydrophobicContact CB-CE2 4.23Å; V253-F509 HydrophobicContact CB-CZ 4.38Å; V253-F509 HydrophobicContact CG1-CE2 4.29Å; V253-F509 HydrophobicContact CG2-CE2 4.01Å; V253-F509 HydrophobicContact CG2-CZ 4.46Å; V253-M645 HydrophobicContact CB-CE 4.41Å; V253-M645 HydrophobicContact CG1-CE 3.77Å
254F91.5Very high88Confident1 Ų132.4 Ų32.40%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-142.9136.7177.5175.6-93.5000109.1F5 I198 L236 P237 S242 L243 F264F5-F254 HydrophobicContact CE2-CB 4.05Å; F5-F254 AromaticContact CE2-CD1 3.95Å; F5-F254 HydrophobicContact CE2-CD1 3.95Å; F5-F254 AromaticContact CE2-CD2 3.84Å; F5-F254 HydrophobicContact CE2-CD2 3.84Å; F5-F254 HydrophobicContact CE2-CE1 4.38Å; F5-F254 HydrophobicContact CE2-CE2 4.27Å; F5-F254 AromaticContact CE2-CG 3.66Å; F5-F254 HydrophobicContact CE2-CG 3.66Å; F5-F254 HydrophobicContact CZ-CB 4.43Å; F5-F254 HydrophobicContact CZ-CD2 4.09Å; F5-F254 HydrophobicContact CZ-CG 4.23Å; I198-F254 HydrophobicContact CB-CE2 4.42Å; I198-F254 HydrophobicContact CD1-CD2 4.44Å; I198-F254 HydrophobicContact CD1-CE2 3.79Å; I198-F254 HydrophobicContact CD1-CZ 4.15Å; I198-F254 HydrophobicContact CG1-CE2 3.76Å; I198-F254 HydrophobicContact CG1-CZ 4.39Å; I198-F254 HydrophobicContact CG2-CD2 3.93Å; I198-F254 HydrophobicContact CG2-CE2 3.95Å; L236-F254 HydrophobicContact CD1-CE1 3.68Å; L236-F254 HydrophobicContact CD1-CZ 3.77Å; P237-F254 VanDerWaalsContact CD-CE1 3.46Å; P237-F254 HydrophobicContact CG-CD1 3.52Å; P237-F254 HydrophobicContact CG-CE1 3.62Å; S242-F254 CarbonylContact C-O 3.56Å; S242-F254 WeakPolarHBondContact CA-O 3.15Å; L243-F254 HydrophobicContact CD1-CB 3.97Å; L243-F254 HydrophobicContact CG-CB 4.08Å; L243-F254 HydrophobicContact CG-CD1 4.34Å; L243-F254 PolarHBondContact N-O 2.92Å; L243-F254 PolarHBondContact O-N 3.23Å; F254-F264 HydrophobicContact CD2-CE2 4.5Å; F254-F264 AromaticContact CE2-CE2 3.53Å; F254-F264 HydrophobicContact CE2-CE2 3.53Å; F254-F264 AromaticContact CE2-CZ 3.59Å; F254-F264 HydrophobicContact CE2-CZ 3.59Å; F254-F264 HydrophobicContact CZ-CD2 4.5Å; F254-F264 AromaticContact CZ-CE2 3.75Å; F254-F264 HydrophobicContact CZ-CE2 3.75Å; F254-F264 HydrophobicContact CZ-CZ 4.08Å
255Q91.1Very high88.3Confident8 Ų832.5 Ų32.54%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-124.7139175.762.5-179.8-65.200110.7Y508Q255-Y508 HydrophobicContact CG-CE1 4.14Å
256Y90.7Very high88.6Confident59 Ų5932.7 Ų32.723%0.23120%0.203CC..  trans-116.1115.8175.2-165-147.9000109.7L196 P237 P239 G240 R241 F264L196-Y256 HydrophobicContact CD1-CD2 4.1Å; L196-Y256 HydrophobicContact CD1-CE2 3.68Å; P237-Y256 WeakPolarHBondContact O-CD1 3.36Å; P239-Y256 HydrophobicContact CB-CD1 4.21Å; P239-Y256 HydrophobicContact CB-CE1 4.19Å; P239-Y256 HydrophobicContact CG-CD1 4.03Å; P239-Y256 HydrophobicContact CG-CE1 3.65Å; G240-Y256 CarbonylContact C-O 3.55Å; G240-Y256 VanDerWaalsContact CA-O 3.24Å; G240-Y256 WeakPolarHBondContact CA-O 3.47Å; G240-Y256 PolarHBondContact N-O 3.32Å; R241-Y256 PolarHBondContact N-O 3.22Å; R241-Y256 PolarHBondContact O-N 3.15Å; Y256-F264 HydrophobicContact CD2-CB 4.37Å; Y256-F264 HydrophobicContact CD2-CD2 4.13Å; Y256-F264 HydrophobicContact CD2-CG 4.43Å; Y256-F264 HydrophobicContact CE2-CB 4.23Å
257P90.8Very high89.1Confident22 Ų2230.9 Ų30.914%0.14319%0.19CC..  trans-56.9149.8179.6-26.234.4000113G240 E261 F264G240-P257 VanDerWaalsContact N-C 3.34Å; G240-P257 PolarHBondContact N-O 3.39Å; P257-E261 HydrophobicContact CB-CB 3.78Å; P257-F264 HydrophobicContact CG-CB 4.38Å
258G87.9Confident89.5Confident18 Ų1831.5 Ų31.519%0.18620%0.195CC..  trans-74.7179.4174.500000113D260 E261G258-D260 VanDerWaalsContact C-N 3.28Å; G258-D260 PolarHBondContact O-N 3.42Å; G258-E261 WeakPolarHBondContact CA-OE1 3.5Å; G258-E261 PolarHBondContact N-OE1 3.07Å; G258-E261 PolarHBondContact O-N 3.49Å
259A83.9Confident90.1Very high73 Ų7329.4 Ų29.460%0.60318%0.182SC*.THydrogen-bonded Turntrans-71.4-20.2-176.400000114.5R602A259-R602 PolarHBondContact O-NH1 3.23Å
260D85.4Confident90.7Very high110 Ų11025.8 Ų25.859%0.58814%0.144SC*.THydrogen-bonded Turntrans-105.613.1-179-61.1-41.6000112.6G258 L603G258-D260 VanDerWaalsContact C-N 3.28Å; G258-D260 PolarHBondContact O-N 3.42Å; D260-L603 VanDerWaalsContact O-CD1 3.26Å; D260-L603 WeakPolarHBondContact O-CD1 3.47Å
261E90.4Very high91Very high21 Ų2125.6 Ų25.610%0.09815%0.147CC..SBendtrans-106.7162.6178.9-86.6168.7-83.600112.8P257 G258 L603 E637 R641P257-E261 HydrophobicContact CB-CB 3.78Å; G258-E261 WeakPolarHBondContact CA-OE1 3.5Å; G258-E261 PolarHBondContact N-OE1 3.07Å; G258-E261 PolarHBondContact O-N 3.49Å; E261-L603 VanDerWaalsContact O-CD2 3.25Å; E261-L603 WeakPolarHBondContact O-CD2 3.42Å; E261-E637 WeakPolarHBondContact CG-OE2 3.25Å; E261-R641 IonicContact OE1-CZ 2.76Å; E261-R641 IonicContact OE1-NH1 3.65Å; E261-R641 IonicContact OE1-NH2 2.8Å; E261-R641 PolarHBondContact OE1-NH2 3.41Å; E261-R641 IonicContact OE2-CZ 2.81Å; E261-R641 IonicContact OE2-NH1 3.77Å; E261-R641 PolarHBondContact OE2-NH1 3.46Å; E261-R641 IonicContact OE2-NH2 2.88Å; E261-R641 PolarHBondContact OE2-NH2 3.25Å
262L92.2Very high91.4Very high6 Ų624.2 Ų24.23%0.03114%0.139CC..PPolyproline II helixtrans-57.6145.5171.5-70.9175.3000111F316 R519 E520 L523 L603L262-F316 HydrophobicContact CD2-CD1 4.12Å; L262-F316 HydrophobicContact CD2-CE1 4.05Å; L262-F316 HydrophobicContact CD2-CZ 4.41Å; L262-R519 HydrophobicContact CD1-CB 3.9Å; L262-E520 HydrophobicContact CD1-CG 3.97Å; L262-L523 HydrophobicContact CD2-CD2 4.03Å; L262-L603 HydrophobicContact CD2-CD2 4.18Å
263P92.8Very high91.5Very high37 Ų3724 Ų2424%0.2414%0.138CC..PPolyproline II helixtrans-52.9148.9-179.5-27.532.8000113.5F265 I313 F316 R519P263-F265 PolarHBondContact O-N 3.48Å; P263-I313 HydrophobicContact CB-CD1 4.3Å; P263-F316 HydrophobicContact CG-CD2 3.92Å; P263-F316 HydrophobicContact CG-CE2 4Å; P263-R519 VanDerWaalsContact O-CZ 3.24Å; P263-R519 PolarHBondContact O-NH1 3.34Å; P263-R519 PolarHBondContact O-NH2 3.21Å
264F93.4Very high91.4Very high28 Ų2826.8 Ų26.812%0.12316%0.155CC..PPolyproline II helixtrans-52.6132.6178.8175.1-97.4000112.7L196 P197 I198 F254 Y256 P257 D266L196-F264 HydrophobicContact CB-CD1 4.41Å; L196-F264 HydrophobicContact CB-CE1 4.2Å; P197-F264 HydrophobicContact CG-CD1 3.9Å; P197-F264 HydrophobicContact CG-CE1 3.84Å; P197-F264 WeakPolarHBondContact O-CE1 3.42Å; I198-F264 HydrophobicContact CG1-CZ 4.35Å; F254-F264 HydrophobicContact CD2-CE2 4.5Å; F254-F264 AromaticContact CE2-CE2 3.53Å; F254-F264 HydrophobicContact CE2-CE2 3.53Å; F254-F264 AromaticContact CE2-CZ 3.59Å; F254-F264 HydrophobicContact CE2-CZ 3.59Å; F254-F264 HydrophobicContact CZ-CD2 4.5Å; F254-F264 AromaticContact CZ-CE2 3.75Å; F254-F264 HydrophobicContact CZ-CE2 3.75Å; F254-F264 HydrophobicContact CZ-CZ 4.08Å; Y256-F264 HydrophobicContact CD2-CB 4.37Å; Y256-F264 HydrophobicContact CD2-CD2 4.13Å; Y256-F264 HydrophobicContact CD2-CG 4.43Å; Y256-F264 HydrophobicContact CE2-CB 4.23Å; P257-F264 HydrophobicContact CG-CB 4.38Å; F264-D266 HydrophobicContact CE1-CB 4.1Å; F264-D266 HydrophobicContact CE2-CB 4.38Å; F264-D266 HydrophobicContact CZ-CB 3.67Å
265F95.1Very high91.3Very high10 Ų1028.6 Ų28.64%0.04416%0.164CC..  trans-156.6113.3179-173.1-102000111.5P263 Y267 I269 E309 I313 N515P263-F265 PolarHBondContact O-N 3.48Å; F265-Y267 HydrophobicContact CD2-CD2 4.49Å; F265-Y267 WeakPolarHBondContact CE1-O 3.45Å; F265-Y267 AromaticContact CE2-CD2 3.98Å; F265-Y267 HydrophobicContact CE2-CD2 3.98Å; F265-Y267 HydrophobicContact CE2-CG 4.49Å; F265-Y267 HydrophobicContact CZ-CD2 4.26Å; F265-Y267 HydrophobicContact CZ-CG 4.33Å; F265-I269 HydrophobicContact CD1-CD1 4.37Å; F265-I269 HydrophobicContact CD1-CG1 4.33Å; F265-I269 HydrophobicContact CE1-CD1 3.88Å; F265-I269 HydrophobicContact CE1-CG1 3.49Å; F265-I269 VanDerWaalsContact CE1-CG1 3.49Å; F265-I269 HydrophobicContact CZ-CG1 4.23Å; F265-E309 HydrophobicContact CE2-CB 4.1Å; F265-E309 WeakPolarHBondContact CE2-O 3.36Å; F265-I313 HydrophobicContact CB-CD1 4.39Å; F265-I313 HydrophobicContact CB-CG1 4.01Å; F265-I313 HydrophobicContact CD1-CG2 4.17Å; F265-I313 HydrophobicContact CD2-CB 3.6Å; F265-I313 HydrophobicContact CD2-CD1 4.2Å; F265-I313 HydrophobicContact CD2-CG1 3.65Å; F265-I313 HydrophobicContact CD2-CG2 3.57Å; F265-I313 HydrophobicContact CE1-CG2 4.03Å; F265-I313 HydrophobicContact CE2-CB 3.73Å; F265-I313 HydrophobicContact CE2-CG1 4.31Å; F265-I313 HydrophobicContact CE2-CG2 3.4Å; F265-I313 HydrophobicContact CG-CB 4.22Å; F265-I313 HydrophobicContact CG-CG1 3.9Å; F265-I313 HydrophobicContact CG-CG2 3.94Å; F265-I313 HydrophobicContact CZ-CB 4.46Å; F265-I313 HydrophobicContact CZ-CG2 3.62Å; F265-N515 HydrophobicContact CD1-CB 4.45Å
266D95.4Very high91.4Very high5 Ų528.3 Ų28.33%0.02716%0.162CC..  trans-107.5-4.5-170.2-154.151.3000114V199 S200 F264 Y508 M512V199-D266 HydrophobicContact CB-CB 4.35Å; V199-D266 HydrophobicContact CG2-CB 4.15Å; V199-D266 PolarHBondContact N-OD2 3.4Å; S200-D266 PolarHBondContact N-OD2 3.4Å; F264-D266 HydrophobicContact CE1-CB 4.1Å; F264-D266 HydrophobicContact CE2-CB 4.38Å; F264-D266 HydrophobicContact CZ-CB 3.67Å; D266-Y508 WeakPolarHBondContact OD1-CE2 3.44Å; D266-Y508 PolarHBondContact OD1-OH 2.9Å; D266-M512 WeakPolarHBondContact O-CE 3.37Å
267Y96.8Very high91.4Very high1 Ų125.9 Ų25.90%0.00415%0.154CC..SBendtrans-77.4142.8178-68.3-95.7000111.5T87 P197 V199 F265 I269 M305 L306 E309 N515T87-Y267 WeakPolarHBondContact CB-OH 3.35Å; T87-Y267 HydrophobicContact CG2-CE1 4.46Å; T87-Y267 WeakPolarHBondContact OG1-CE1 3.42Å; T87-Y267 PolarHBondContact OG1-OH 3.15Å; P197-Y267 HydrophobicContact CB-CE2 4.15Å; V199-Y267 HydrophobicContact CG1-CD1 4.5Å; V199-Y267 HydrophobicContact CG2-CD1 3.82Å; V199-Y267 HydrophobicContact CG2-CD2 3.75Å; V199-Y267 HydrophobicContact CG2-CE1 3.7Å; V199-Y267 HydrophobicContact CG2-CE2 3.62Å; V199-Y267 HydrophobicContact CG2-CG 3.84Å; F265-Y267 HydrophobicContact CD2-CD2 4.49Å; F265-Y267 WeakPolarHBondContact CE1-O 3.45Å; F265-Y267 AromaticContact CE2-CD2 3.98Å; F265-Y267 HydrophobicContact CE2-CD2 3.98Å; F265-Y267 HydrophobicContact CE2-CG 4.49Å; F265-Y267 HydrophobicContact CZ-CD2 4.26Å; F265-Y267 HydrophobicContact CZ-CG 4.33Å; Y267-I269 PolarHBondContact O-N 3.28Å; Y267-I269 VanDerWaalsContact O-N 3.17Å; Y267-M305 HydrophobicContact CE1-CB 4.14Å; Y267-M305 WeakPolarHBondContact OH-CE 3.35Å; Y267-L306 HydrophobicContact CD1-CB 4.37Å; Y267-L306 HydrophobicContact CD1-CD1 4.19Å; Y267-L306 HydrophobicContact CG-CD1 4.48Å; Y267-E309 HydrophobicContact CD2-CB 3.82Å; Y267-E309 HydrophobicContact CD2-CG 4.22Å; Y267-E309 HydrophobicContact CE2-CB 3.73Å; Y267-E309 HydrophobicContact CE2-CG 3.59Å; Y267-E309 HydrophobicContact CG-CB 4.33Å; Y267-N515 PolarHBondContact O-ND2 3.1Å; Y267-N515 PolarHBondContact O-OD1 3.16Å
268P92.9Very high91.4Very high16 Ų1625.9 Ų25.910%0.10415%0.154CC..  trans-80.196.8-179.330.7-34.6000112A270 E271 L306 H511P268-A270 PolarHBondContact O-N 3.08Å; P268-E271 HydrophobicContact CB-CG 4.22Å; P268-E271 HydrophobicContact CG-CB 4.4Å; P268-E271 HydrophobicContact CG-CG 3.94Å; P268-E271 WeakPolarHBondContact CG-OE1 3.37Å; P268-E271 WeakPolarHBondContact O-CB 3.32Å; P268-E271 PolarHBondContact O-N 3.33Å; P268-L306 HydrophobicContact CG-CD1 4.32Å; P268-H511 VanDerWaalsContact CB-CE1 3.47Å; P268-H511 WeakPolarHBondContact CB-CE1 3.49Å; P268-H511 VanDerWaalsContact CB-ND1 3.33Å; P268-H511 WeakPolarHBondContact CB-ND1 3.46Å
269I93.7Very high91.5Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-54.5-33.2179.1-61.6-174.9000111.4F265 Y267 E271 V272 L273 T310 L314 N515 V518 R519F265-I269 HydrophobicContact CD1-CD1 4.37Å; F265-I269 HydrophobicContact CD1-CG1 4.33Å; F265-I269 HydrophobicContact CE1-CD1 3.88Å; F265-I269 HydrophobicContact CE1-CG1 3.49Å; F265-I269 VanDerWaalsContact CE1-CG1 3.49Å; F265-I269 HydrophobicContact CZ-CG1 4.23Å; Y267-I269 PolarHBondContact O-N 3.28Å; Y267-I269 VanDerWaalsContact O-N 3.17Å; I269-E271 PolarHBondContact O-N 3.49Å; I269-E271 VanDerWaalsContact O-N 3.09Å; I269-V272 WeakPolarHBondContact O-CB 3.47Å; I269-V272 PolarHBondContact O-N 3.01Å; I269-L273 HydrophobicContact CG2-CD1 4.03Å; I269-L273 HydrophobicContact CG2-CD2 4.21Å; I269-L273 HydrophobicContact CG2-CG 4Å; I269-L273 WeakPolarHBondContact O-CG 3.38Å; I269-L273 PolarHBondContact O-N 2.74Å; I269-L273 VanDerWaalsContact O-N 3.17Å; I269-T310 HydrophobicContact CB-CG2 4.46Å; I269-T310 HydrophobicContact CD1-CG2 4.44Å; I269-T310 HydrophobicContact CG1-CG2 4.04Å; I269-T310 HydrophobicContact CG2-CG2 4.05Å; I269-L314 HydrophobicContact CD1-CD2 4.43Å; I269-N515 WeakPolarHBondContact CB-OD1 3.46Å; I269-N515 HydrophobicContact CD1-CB 4.28Å; I269-N515 HydrophobicContact CG1-CB 4.46Å; I269-N515 WeakPolarHBondContact CG1-OD1 3.45Å; I269-N515 PolarHBondContact N-OD1 3.35Å; I269-V518 HydrophobicContact CD1-CB 4.49Å; I269-V518 HydrophobicContact CG2-CB 4.48Å; I269-V518 HydrophobicContact CG2-CG1 4.12Å; I269-V518 HydrophobicContact CG2-CG2 4.5Å; I269-R519 HydrophobicContact CD1-CG 4.08Å
270A89.8Confident92Very high5 Ų524.6 Ų24.64%0.04113%0.133CC..Hα-helixtrans-46.7-39.6175.600000113.8P268 L273 T274 W403 L405 L514P268-A270 PolarHBondContact O-N 3.08Å; A270-L273 PolarHBondContact O-N 3.38Å; A270-T274 WeakPolarHBondContact O-CG2 3.47Å; A270-T274 PolarHBondContact O-N 3.33Å; A270-T274 VanDerWaalsContact O-N 3.1Å; A270-T274 PolarHBondContact O-OG1 3.49Å; A270-W403 HydrophobicContact CB-CZ3 4.22Å; A270-L405 HydrophobicContact CB-CD2 3.84Å; A270-L514 HydrophobicContact CB-CD2 3.59Å
271E91.8Very high92.4Very high81 Ų8119.4 Ų19.438%0.37911%0.105SC..Hα-helixtrans-69-36.7-179.4-71-173.5-146.300112P268 I269 T274 Q275 L306P268-E271 HydrophobicContact CB-CG 4.22Å; P268-E271 HydrophobicContact CG-CB 4.4Å; P268-E271 HydrophobicContact CG-CG 3.94Å; P268-E271 WeakPolarHBondContact CG-OE1 3.37Å; P268-E271 WeakPolarHBondContact O-CB 3.32Å; P268-E271 PolarHBondContact O-N 3.33Å; I269-E271 PolarHBondContact O-N 3.49Å; I269-E271 VanDerWaalsContact O-N 3.09Å; E271-T274 WeakPolarHBondContact CA-OG1 3.49Å; E271-T274 PolarHBondContact O-OG1 3.31Å; E271-T274 VanDerWaalsContact O-OG1 3.07Å; E271-Q275 WeakPolarHBondContact O-CB 3.44Å; E271-Q275 WeakPolarHBondContact O-CG 3.17Å; E271-Q275 PolarHBondContact O-N 2.93Å; E271-L306 HydrophobicContact CB-CD2 3.57Å
272V93.9Very high92.6Very high0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-62.1-50172.6179.80000109.9I269 T274 Q275 I276 F281 L306 F307 T310I269-V272 WeakPolarHBondContact O-CB 3.47Å; I269-V272 PolarHBondContact O-N 3.01Å; V272-T274 PolarHBondContact O-N 3.16Å; V272-Q275 PolarHBondContact O-N 3.36Å; V272-Q275 VanDerWaalsContact O-N 3.09Å; V272-I276 HydrophobicContact CG1-CG2 4.22Å; V272-I276 WeakPolarHBondContact O-CG2 3.15Å; V272-I276 PolarHBondContact O-N 3.37Å; V272-I276 VanDerWaalsContact O-N 3.17Å; V272-F281 HydrophobicContact CG1-CD2 3.96Å; V272-F281 HydrophobicContact CG1-CE2 3.77Å; V272-L306 HydrophobicContact CG2-CD1 3.91Å; V272-L306 HydrophobicContact CG2-CD2 4.01Å; V272-L306 HydrophobicContact CG2-CG 3.59Å; V272-F307 HydrophobicContact CB-CE2 4.28Å; V272-F307 HydrophobicContact CB-CZ 4.39Å; V272-F307 HydrophobicContact CG1-CD1 4.24Å; V272-F307 HydrophobicContact CG1-CD2 4.44Å; V272-F307 HydrophobicContact CG1-CE1 3.89Å; V272-F307 HydrophobicContact CG1-CE2 4.12Å; V272-F307 HydrophobicContact CG1-CG 4.49Å; V272-F307 HydrophobicContact CG1-CZ 3.82Å; V272-F307 HydrophobicContact CG2-CD2 3.96Å; V272-F307 HydrophobicContact CG2-CE2 4.01Å; V272-F307 HydrophobicContact CG2-CG 4.45Å; V272-T310 HydrophobicContact CB-CG2 4.38Å; V272-T310 HydrophobicContact CG1-CG2 4.47Å; V272-T310 HydrophobicContact CG2-CG2 4.02Å; V272-T310 WeakPolarHBondContact CG2-OG1 3.36Å
273L90.5Very high92.7Very high1 Ų121.5 Ų21.51%0.00511%0.113CC..Hα-helixtrans-62.4-30.7-175.5-52.8-179.9000112.5I269 A270 F281 L394 L405 F407 R408 V518I269-L273 HydrophobicContact CG2-CD1 4.03Å; I269-L273 HydrophobicContact CG2-CD2 4.21Å; I269-L273 HydrophobicContact CG2-CG 4Å; I269-L273 WeakPolarHBondContact O-CG 3.38Å; I269-L273 PolarHBondContact O-N 2.74Å; I269-L273 VanDerWaalsContact O-N 3.17Å; A270-L273 PolarHBondContact O-N 3.38Å; L273-F281 HydrophobicContact CD2-CD2 4.17Å; L273-F281 HydrophobicContact CD2-CE2 3.86Å; L273-F281 HydrophobicContact CD2-CZ 4.37Å; L273-L394 HydrophobicContact CD1-CD1 4.21Å; L273-L394 HydrophobicContact CD1-CD2 3.73Å; L273-L394 HydrophobicContact CD1-CG 4.45Å; L273-L405 HydrophobicContact CB-CD2 4.46Å; L273-L405 HydrophobicContact CD1-CD2 4.39Å; L273-F407 HydrophobicContact CB-CD1 4.22Å; L273-F407 HydrophobicContact CB-CE1 4.12Å; L273-F407 HydrophobicContact CB-CZ 4.43Å; L273-F407 HydrophobicContact CD2-CD1 4.44Å; L273-F407 HydrophobicContact CD2-CE1 3.53Å; L273-F407 HydrophobicContact CD2-CE2 4.43Å; L273-F407 HydrophobicContact CD2-CZ 3.54Å; L273-F407 HydrophobicContact CG-CE1 4.36Å; L273-F407 HydrophobicContact CG-CZ 4.38Å; L273-F407 VanDerWaalsContact O-CA 3.3Å; L273-F407 WeakPolarHBondContact O-CA 3.28Å; L273-F407 WeakPolarHBondContact O-CD1 3.48Å; L273-R408 PolarHBondContact O-N 3.27Å; L273-V518 HydrophobicContact CD1-CG2 4.19Å
274T88.9Confident92.9Very high61 Ų6119.7 Ų19.737%0.37410%0.102SC..Hα-helixtrans-84.1-18.317850.60000114.2A270 E271 V272 L405A270-T274 WeakPolarHBondContact O-CG2 3.47Å; A270-T274 PolarHBondContact O-N 3.33Å; A270-T274 VanDerWaalsContact O-N 3.1Å; A270-T274 PolarHBondContact O-OG1 3.49Å; E271-T274 WeakPolarHBondContact CA-OG1 3.49Å; E271-T274 PolarHBondContact O-OG1 3.31Å; E271-T274 VanDerWaalsContact O-OG1 3.07Å; V272-T274 PolarHBondContact O-N 3.16Å; T274-L405 HydrophobicContact CG2-CD1 3.41Å; T274-L405 VanDerWaalsContact CG2-CD1 3.41Å; T274-L405 HydrophobicContact CG2-CD2 4.45Å; T274-L405 HydrophobicContact CG2-CG 3.97Å
275Q90.2Very high93Very high39 Ų3918.6 Ų18.618%0.18210%0.097CC..Hα-helixtrans-93.8-31.6-177.3-73.51752300113.2E271 V272 F307 R408E271-Q275 WeakPolarHBondContact O-CB 3.44Å; E271-Q275 WeakPolarHBondContact O-CG 3.17Å; E271-Q275 PolarHBondContact O-N 2.93Å; V272-Q275 PolarHBondContact O-N 3.36Å; V272-Q275 VanDerWaalsContact O-N 3.09Å; Q275-F307 HydrophobicContact CB-CE2 4.39Å; Q275-F307 HydrophobicContact CB-CZ 4.18Å; Q275-R408 WeakPolarHBondContact O-CD 3.32Å; Q275-R408 PolarHBondContact O-NH1 2.68Å
276I92.7Very high93.1Very high1 Ų118.5 Ų18.51%0.00510%0.097CC..SBendtrans-116.7148.2-177.3-159.1173.3000110.9V272 S280 F281 F307 V364 D369 V371V272-I276 HydrophobicContact CG1-CG2 4.22Å; V272-I276 WeakPolarHBondContact O-CG2 3.15Å; V272-I276 PolarHBondContact O-N 3.37Å; V272-I276 VanDerWaalsContact O-N 3.17Å; I276-S280 VanDerWaalsContact CG1-CB 3.46Å; I276-F281 HydrophobicContact CG2-CB 3.99Å; I276-F281 HydrophobicContact CG2-CD2 3.94Å; I276-F281 HydrophobicContact CG2-CG 4.49Å; I276-F307 HydrophobicContact CB-CE1 4.09Å; I276-F307 HydrophobicContact CB-CZ 4.13Å; I276-F307 HydrophobicContact CD1-CE1 3.95Å; I276-F307 HydrophobicContact CG2-CE1 4.18Å; I276-F307 HydrophobicContact CG2-CZ 4.33Å; I276-V364 HydrophobicContact CD1-CG1 4.37Å; I276-D369 WeakPolarHBondContact CG1-OD1 3.29Å; I276-V371 HydrophobicContact CD1-CG2 4.5Å
277S91.9Very high93.1Very high9 Ų918.2 Ų18.26%0.06310%0.096CC..  trans-71.5154.1173.759.30000111.3D279 S280 F281 D369S277-D279 PolarHBondContact O-N 2.94Å; S277-D279 VanDerWaalsContact O-N 3.16Å; S277-S280 PolarHBondContact O-N 2.96Å; S277-S280 WeakPolarHBondContact OG-CB 3.24Å; S277-S280 PolarHBondContact OG-N 2.91Å; S277-S280 PolarHBondContact OG-OG 3.44Å; S277-S280 VanDerWaalsContact OG-OG 3.12Å; S277-F281 WeakPolarHBondContact O-CB 3.39Å; S277-F281 PolarHBondContact O-N 3.37Å; S277-D369 VanDerWaalsContact CB-OD2 3.26Å; S277-D369 WeakPolarHBondContact CB-OD2 3.45Å; S277-D369 PolarHBondContact N-OD1 3.47Å; S277-D369 PolarHBondContact N-OD2 3.32Å; S277-D369 PolarHBondContact OG-OD1 2.88Å; S277-D369 PolarHBondContact OG-OD2 3.39Å
278V90.2Very high93.1Very high22 Ų2218.2 Ų18.213%0.13310%0.096CC..Hα-helixtrans-54.6-37175.7-163.30000110.9F281 L282 I387 F407V278-F281 PolarHBondContact O-N 3.08Å; V278-L282 HydrophobicContact CG1-CD1 4.08Å; V278-L282 HydrophobicContact CG1-CG 4.31Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 2.68Å; V278-I387 HydrophobicContact CG1-CB 4.41Å; V278-I387 HydrophobicContact CG1-CG1 3.75Å; V278-I387 HydrophobicContact CG1-CG2 4.27Å; V278-F407 HydrophobicContact CB-CD1 4.12Å; V278-F407 HydrophobicContact CB-CE1 4.25Å; V278-F407 HydrophobicContact CB-CG 4.22Å; V278-F407 HydrophobicContact CB-CZ 4.46Å; V278-F407 HydrophobicContact CG1-CE1 4.3Å; V278-F407 HydrophobicContact CG1-CE2 4.33Å; V278-F407 HydrophobicContact CG1-CZ 4.11Å; V278-F407 HydrophobicContact CG2-CB 3.43Å; V278-F407 VanDerWaalsContact CG2-CB 3.43Å; V278-F407 HydrophobicContact CG2-CD1 3.6Å; V278-F407 HydrophobicContact CG2-CD2 3.4Å; V278-F407 VanDerWaalsContact CG2-CD2 3.4Å; V278-F407 HydrophobicContact CG2-CE1 4.03Å; V278-F407 HydrophobicContact CG2-CE2 3.86Å; V278-F407 HydrophobicContact CG2-CG 3.21Å; V278-F407 HydrophobicContact CG2-CZ 4.13Å
279D90.4Very high93.3Very high61 Ų6117.5 Ų17.533%0.3269%0.091SC..Hα-helixtrans-63.6-52.8-177.3-178.483.6000111.7S277 L282 K283 R383S277-D279 PolarHBondContact O-N 2.94Å; S277-D279 VanDerWaalsContact O-N 3.16Å; D279-L282 PolarHBondContact O-N 3.5Å; D279-K283 VanDerWaalsContact O-CG 3.31Å; D279-K283 WeakPolarHBondContact O-CG 3.26Å; D279-K283 PolarHBondContact O-N 2.94Å; D279-K283 VanDerWaalsContact O-N 3.11Å; D279-K283 WeakPolarHBondContact OD2-CE 3.1Å; D279-K283 IonicContact OD2-NZ 2.73Å; D279-K283 PolarHBondContact OD2-NZ 3.21Å; D279-R383 VanDerWaalsContact CA-NH2 3.29Å; D279-R383 VanDerWaalsContact CG-NH2 3.32Å; D279-R383 IonicContact OD1-CZ 3.45Å; D279-R383 IonicContact OD1-NH1 3.4Å; D279-R383 IonicContact OD1-NH2 3.7Å; D279-R383 PolarHBondContact OD1-NH2 3.3Å
280S93.7Very high93.3Very high3 Ų318.1 Ų18.12%0.0219%0.094CC..Hα-helixtrans-60.9-42.9173.8-68.30000111.7I276 S277 L282 K283 V284 D369I276-S280 VanDerWaalsContact CG1-CB 3.46Å; S277-S280 PolarHBondContact O-N 2.96Å; S277-S280 WeakPolarHBondContact OG-CB 3.24Å; S277-S280 PolarHBondContact OG-N 2.91Å; S277-S280 PolarHBondContact OG-OG 3.44Å; S277-S280 VanDerWaalsContact OG-OG 3.12Å; S280-L282 PolarHBondContact O-N 3.19Å; S280-K283 WeakPolarHBondContact O-CB 3.18Å; S280-K283 PolarHBondContact O-N 3.1Å; S280-V284 WeakPolarHBondContact O-CG2 3.45Å; S280-V284 PolarHBondContact O-N 3.45Å; S280-D369 WeakPolarHBondContact CB-OD1 3.02Å; S280-D369 PolarHBondContact OG-OD1 3.36Å
281F94.8Very high93.6Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-54.7-51.1177.2-174.4-82.2000111.8V272 L273 I276 S277 V278 K283 V284 Y285 F311 L314 F407 F522V272-F281 HydrophobicContact CG1-CD2 3.96Å; V272-F281 HydrophobicContact CG1-CE2 3.77Å; L273-F281 HydrophobicContact CD2-CD2 4.17Å; L273-F281 HydrophobicContact CD2-CE2 3.86Å; L273-F281 HydrophobicContact CD2-CZ 4.37Å; I276-F281 HydrophobicContact CG2-CB 3.99Å; I276-F281 HydrophobicContact CG2-CD2 3.94Å; I276-F281 HydrophobicContact CG2-CG 4.49Å; S277-F281 WeakPolarHBondContact O-CB 3.39Å; S277-F281 PolarHBondContact O-N 3.37Å; V278-F281 PolarHBondContact O-N 3.08Å; F281-K283 VanDerWaalsContact C-N 3.34Å; F281-K283 PolarHBondContact O-N 3.01Å; F281-V284 PolarHBondContact O-N 2.92Å; F281-Y285 WeakPolarHBondContact O-CB 3.26Å; F281-Y285 PolarHBondContact O-N 3.39Å; F281-F311 HydrophobicContact CD1-CE1 4.31Å; F281-F311 HydrophobicContact CD2-CE1 4.19Å; F281-F311 AromaticContact CD2-CZ 3.75Å; F281-F311 HydrophobicContact CD2-CZ 3.75Å; F281-F311 HydrophobicContact CE1-CE1 4.07Å; F281-F311 AromaticContact CE2-CE1 3.98Å; F281-F311 HydrophobicContact CE2-CE1 3.98Å; F281-F311 AromaticContact CE2-CZ 3.8Å; F281-F311 HydrophobicContact CE2-CZ 3.8Å; F281-F311 HydrophobicContact CG-CE1 4.36Å; F281-F311 HydrophobicContact CG-CZ 4.16Å; F281-F311 AromaticContact CZ-CE1 3.91Å; F281-F311 HydrophobicContact CZ-CE1 3.91Å; F281-F311 HydrophobicContact CZ-CZ 4.22Å; F281-L314 HydrophobicContact CE1-CD1 4.36Å; F281-L314 HydrophobicContact CZ-CD1 3.59Å; F281-F407 HydrophobicContact CB-CE1 4.27Å; F281-F407 HydrophobicContact CD2-CE1 4.45Å; F281-F407 HydrophobicContact CG-CE1 4.29Å; F281-F522 HydrophobicContact CE1-CE1 4.33Å; F281-F522 HydrophobicContact CE1-CE2 4.41Å; F281-F522 AromaticContact CE1-CZ 3.62Å; F281-F522 HydrophobicContact CE1-CZ 3.62Å; F281-F522 HydrophobicContact CZ-CZ 4.26Å
282L94Very high93.6Very high1 Ų119.3 Ų19.31%0.00510%0.095CC..Hα-helixtrans-69.7-32.4-178-67.5179.5000112.4V278 D279 S280 Y285 T286 L380 R383 L386 I387 L390V278-L282 HydrophobicContact CG1-CD1 4.08Å; V278-L282 HydrophobicContact CG1-CG 4.31Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 2.68Å; D279-L282 PolarHBondContact O-N 3.5Å; S280-L282 PolarHBondContact O-N 3.19Å; L282-Y285 PolarHBondContact O-N 3.25Å; L282-T286 WeakPolarHBondContact O-CB 3.39Å; L282-T286 PolarHBondContact O-N 3Å; L282-T286 PolarHBondContact O-OG1 3.38Å; L282-L380 HydrophobicContact CD2-CD2 4.14Å; L282-R383 HydrophobicContact CD1-CG 3.92Å; L282-L386 HydrophobicContact CD1-CD2 4.39Å; L282-L386 HydrophobicContact CD2-CD2 3.44Å; L282-L386 VanDerWaalsContact CD2-CD2 3.44Å; L282-L386 HydrophobicContact CD2-CG 4.22Å; L282-I387 HydrophobicContact CD1-CD1 4.09Å; L282-I387 HydrophobicContact CD1-CG1 3.57Å; L282-L390 HydrophobicContact CD2-CD1 4.42Å
283K94.2Very high93.5Very high70 Ų7020.8 Ų20.830%0.30410%0.102SC..Hα-helixtrans-60.1-49172.4-78.9171.9174.11670111.4D279 S280 F281 T286 C287 V371 L373D279-K283 VanDerWaalsContact O-CG 3.31Å; D279-K283 WeakPolarHBondContact O-CG 3.26Å; D279-K283 PolarHBondContact O-N 2.94Å; D279-K283 VanDerWaalsContact O-N 3.11Å; D279-K283 WeakPolarHBondContact OD2-CE 3.1Å; D279-K283 IonicContact OD2-NZ 2.73Å; D279-K283 PolarHBondContact OD2-NZ 3.21Å; S280-K283 WeakPolarHBondContact O-CB 3.18Å; S280-K283 PolarHBondContact O-N 3.1Å; F281-K283 VanDerWaalsContact C-N 3.34Å; F281-K283 PolarHBondContact O-N 3.01Å; K283-T286 WeakPolarHBondContact O-CB 3.1Å; K283-T286 PolarHBondContact O-N 3.33Å; K283-C287 PolarHBondContact O-N 3.37Å; K283-C287 VanDerWaalsContact O-N 3.08Å; K283-V371 HydrophobicContact CB-CG1 4.17Å; K283-L373 HydrophobicContact CB-CD1 4.46Å; K283-L373 HydrophobicContact CB-CD2 4.09Å; K283-L373 HydrophobicContact CD-CD1 4.05Å; K283-L373 HydrophobicContact CG-CD1 4.04Å
284V96.5Very high93.8Very high0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-62.2-48.4176.71770000111S280 F281 T286 C287 I288 V294 F296 F311 V364 V371S280-V284 WeakPolarHBondContact O-CG2 3.45Å; S280-V284 PolarHBondContact O-N 3.45Å; F281-V284 PolarHBondContact O-N 2.92Å; V284-T286 VanDerWaalsContact C-N 3.26Å; V284-T286 PolarHBondContact O-N 2.99Å; V284-C287 WeakPolarHBondContact O-CB 3.42Å; V284-C287 PolarHBondContact O-N 2.89Å; V284-C287 VanDerWaalsContact O-N 3.12Å; V284-I288 HydrophobicContact CG1-CD1 3.98Å; V284-I288 WeakPolarHBondContact O-CG1 3.15Å; V284-I288 PolarHBondContact O-N 3.23Å; V284-V294 HydrophobicContact CG1-CG1 4.24Å; V284-F296 HydrophobicContact CG1-CE1 3.73Å; V284-F296 HydrophobicContact CG1-CZ 3.65Å; V284-F311 HydrophobicContact CB-CE1 4.02Å; V284-F311 HydrophobicContact CB-CE2 4.31Å; V284-F311 HydrophobicContact CB-CZ 3.77Å; V284-F311 HydrophobicContact CG1-CD1 4.16Å; V284-F311 HydrophobicContact CG1-CD2 4.04Å; V284-F311 HydrophobicContact CG1-CE1 3.84Å; V284-F311 HydrophobicContact CG1-CE2 3.71Å; V284-F311 HydrophobicContact CG1-CG 4.27Å; V284-F311 HydrophobicContact CG1-CZ 3.6Å; V284-V364 HydrophobicContact CG1-CG2 4.37Å; V284-V364 HydrophobicContact CG2-CB 4.4Å; V284-V364 HydrophobicContact CG2-CG1 4.06Å; V284-V364 HydrophobicContact CG2-CG2 3.42Å; V284-V364 VanDerWaalsContact CG2-CG2 3.42Å; V284-V371 HydrophobicContact CG2-CG1 4.17Å; V284-V371 HydrophobicContact CG2-CG2 3.9Å
285Y96.2Very high94.2Very high5 Ų517.9 Ų17.92%0.028%0.084CC..Hα-helixtrans-55.3-43.3177.7-172.3-117.8000112F281 L282 I288 L289 F311 L314 L315 L380 F522 F526F281-Y285 WeakPolarHBondContact O-CB 3.26Å; F281-Y285 PolarHBondContact O-N 3.39Å; L282-Y285 PolarHBondContact O-N 3.25Å; Y285-I288 PolarHBondContact O-N 3.26Å; Y285-L289 HydrophobicContact CD1-CD1 3.76Å; Y285-L289 HydrophobicContact CD1-CG 4.41Å; Y285-L289 HydrophobicContact CE1-CD1 3.32Å; Y285-L289 HydrophobicContact CE1-CG 4.11Å; Y285-L289 HydrophobicContact CE2-CD1 4.46Å; Y285-L289 HydrophobicContact CE2-CG 4.41Å; Y285-L289 HydrophobicContact CG-CD1 4.49Å; Y285-L289 WeakPolarHBondContact O-CG 3.03Å; Y285-L289 PolarHBondContact O-N 2.9Å; Y285-F311 HydrophobicContact CD2-CD1 4.1Å; Y285-F311 HydrophobicContact CD2-CE1 4.5Å; Y285-L314 HydrophobicContact CE2-CB 3.96Å; Y285-L314 PolarHBondContact OH-O 3.01Å; Y285-L315 HydrophobicContact CE2-CD2 4.1Å; Y285-L380 HydrophobicContact CD1-CD2 4.27Å; Y285-F522 HydrophobicContact CD1-CD1 4.39Å; Y285-F522 AromaticContact CD1-CE1 3.95Å; Y285-F522 HydrophobicContact CD1-CE1 3.95Å; Y285-F522 HydrophobicContact CD2-CE1 4.49Å; Y285-F522 AromaticContact CE1-CD1 3.63Å; Y285-F522 HydrophobicContact CE1-CD1 3.63Å; Y285-F522 AromaticContact CE1-CE1 3.65Å; Y285-F522 HydrophobicContact CE1-CE1 3.65Å; Y285-F522 HydrophobicContact CE2-CD1 4.13Å; Y285-F522 HydrophobicContact CE2-CE1 4.25Å; Y285-F522 HydrophobicContact CG-CE1 4.36Å; Y285-F522 AromaticContact CZ-CD1 3.48Å; Y285-F522 VanDerWaalsContact CZ-CD1 3.48Å; Y285-F522 AromaticContact CZ-CE1 3.82Å; Y285-F522 WeakPolarHBondContact OH-CD1 3.39Å; Y285-F526 WeakPolarHBondContact OH-CE2 3.41Å; Y285-F526 WeakPolarHBondContact OH-CZ 3.31Å
286T95.7Very high94.6Very high7 Ų716 Ų164%0.0438%0.076CC..Hα-helixtrans-61.8-46.3177.2-56.10000111.5L282 K283 V284 I288 L289 L290 V377 P378 F572L282-T286 WeakPolarHBondContact O-CB 3.39Å; L282-T286 PolarHBondContact O-N 3Å; L282-T286 PolarHBondContact O-OG1 3.38Å; K283-T286 WeakPolarHBondContact O-CB 3.1Å; K283-T286 PolarHBondContact O-N 3.33Å; V284-T286 VanDerWaalsContact C-N 3.26Å; V284-T286 PolarHBondContact O-N 2.99Å; T286-I288 VanDerWaalsContact C-N 3.28Å; T286-I288 PolarHBondContact O-N 3.44Å; T286-L289 PolarHBondContact O-N 3.12Å; T286-L290 HydrophobicContact CG2-CD1 3.96Å; T286-L290 WeakPolarHBondContact O-CB 3.44Å; T286-L290 VanDerWaalsContact O-CG 3.28Å; T286-L290 WeakPolarHBondContact O-CG 3.42Å; T286-L290 PolarHBondContact O-N 2.97Å; T286-V377 HydrophobicContact CG2-CG1 3.88Å; T286-P378 VanDerWaalsContact CG2-O 3.31Å; T286-P378 WeakPolarHBondContact CG2-O 3.27Å; T286-F572 HydrophobicContact CG2-CD2 4.21Å; T286-F572 HydrophobicContact CG2-CE2 4Å
287C96.3Very high94.8Very high0 Ų016 Ų160%08%0.075CC..Hα-helixtrans-59.4-39.9176.7-72.50000112.4K283 V284 L290 E291 R292 V294 C362 L373K283-C287 PolarHBondContact O-N 3.37Å; K283-C287 VanDerWaalsContact O-N 3.08Å; V284-C287 WeakPolarHBondContact O-CB 3.42Å; V284-C287 PolarHBondContact O-N 2.89Å; V284-C287 VanDerWaalsContact O-N 3.12Å; C287-L290 PolarHBondContact O-N 2.96Å; C287-E291 PolarHBondContact O-N 2.94Å; C287-R292 HydrophobicContact CB-CB 4.15Å; C287-R292 WeakPolarHBondContact O-CB 3.28Å; C287-R292 PolarHBondContact O-N 3.08Å; C287-V294 HydrophobicContact CB-CG2 3.87Å; C287-C362 HydrophobicContact CB-CB 4.02Å; C287-C362 VanDerWaalsContact SG-SG 3.65Å; C287-L373 WeakPolarHBondContact SG-CD2 3.42Å
288I97Very high95Very high0 Ų015.6 Ų15.60%07%0.072CC..Hα-helixtrans-69.3-44.7178.3-62.7173.7000110.6V284 Y285 T286 L290 E291 V294 F296 F311 L315 W320 I343 M581V284-I288 HydrophobicContact CG1-CD1 3.98Å; V284-I288 WeakPolarHBondContact O-CG1 3.15Å; V284-I288 PolarHBondContact O-N 3.23Å; Y285-I288 PolarHBondContact O-N 3.26Å; T286-I288 VanDerWaalsContact C-N 3.28Å; T286-I288 PolarHBondContact O-N 3.44Å; I288-L290 PolarHBondContact O-N 3.41Å; I288-E291 PolarHBondContact O-N 3.2Å; I288-V294 HydrophobicContact CG1-CB 4.38Å; I288-V294 HydrophobicContact CG1-CG1 4.46Å; I288-V294 HydrophobicContact CG1-CG2 3.75Å; I288-F296 HydrophobicContact CD1-CZ 4.34Å; I288-F311 HydrophobicContact CD1-CB 3.44Å; I288-F311 VanDerWaalsContact CD1-CB 3.44Å; I288-F311 HydrophobicContact CD1-CD1 3.97Å; I288-F311 HydrophobicContact CD1-CD2 4.44Å; I288-F311 HydrophobicContact CD1-CG 3.7Å; I288-L315 HydrophobicContact CG2-CD1 3.75Å; I288-L315 HydrophobicContact CG2-CD2 3.75Å; I288-L315 HydrophobicContact CG2-CG 4.27Å; I288-W320 HydrophobicContact CG2-CE3 4Å; I288-W320 HydrophobicContact CG2-CZ3 3.89Å; I288-W320 WeakPolarHBondContact O-CZ3 3.42Å; I288-I343 HydrophobicContact CD1-CD1 4.26Å; I288-I343 HydrophobicContact CG1-CD1 4.38Å; I288-I343 HydrophobicContact CG2-CD1 3.97Å; I288-M581 WeakPolarHBondContact O-CE 3.17Å
289L95.9Very high95.1Very high2 Ų219.5 Ų19.51%0.019%0.088CC..Hα-helixtrans-60-31176.6-75.4177.9000113.1Y285 T286 E291 L315 L380 F526 F572 F576 T579Y285-L289 HydrophobicContact CD1-CD1 3.76Å; Y285-L289 HydrophobicContact CD1-CG 4.41Å; Y285-L289 HydrophobicContact CE1-CD1 3.32Å; Y285-L289 HydrophobicContact CE1-CG 4.11Å; Y285-L289 HydrophobicContact CE2-CD1 4.46Å; Y285-L289 HydrophobicContact CE2-CG 4.41Å; Y285-L289 HydrophobicContact CG-CD1 4.49Å; Y285-L289 WeakPolarHBondContact O-CG 3.03Å; Y285-L289 PolarHBondContact O-N 2.9Å; T286-L289 PolarHBondContact O-N 3.12Å; L289-E291 VanDerWaalsContact C-N 3.3Å; L289-L315 HydrophobicContact CD2-CD2 3.61Å; L289-L315 HydrophobicContact CG-CD2 4.22Å; L289-L380 HydrophobicContact CD1-CD1 4.07Å; L289-F526 HydrophobicContact CD1-CZ 4.09Å; L289-F526 HydrophobicContact CD2-CE1 4.28Å; L289-F526 HydrophobicContact CD2-CZ 3.61Å; L289-F572 HydrophobicContact CB-CE2 4.44Å; L289-F572 HydrophobicContact CB-CZ 4.11Å; L289-F572 HydrophobicContact CD1-CZ 3.92Å; L289-F576 HydrophobicContact CB-CD2 4.37Å; L289-F576 HydrophobicContact CB-CE2 4.48Å; L289-F576 HydrophobicContact CD2-CE2 4.1Å; L289-F576 WeakPolarHBondContact O-CD2 3.36Å; L289-T579 WeakPolarHBondContact O-CG2 3.39Å
290L95.4Very high95.4Very high12 Ų1219.2 Ų19.26%0.0639%0.086CC..THydrogen-bonded Turntrans-9113.6178-61.5178.9000113.5T286 C287 I288 R292 V377 P378 F572 A575 F576T286-L290 HydrophobicContact CG2-CD1 3.96Å; T286-L290 WeakPolarHBondContact O-CB 3.44Å; T286-L290 VanDerWaalsContact O-CG 3.28Å; T286-L290 WeakPolarHBondContact O-CG 3.42Å; T286-L290 PolarHBondContact O-N 2.97Å; C287-L290 PolarHBondContact O-N 2.96Å; I288-L290 PolarHBondContact O-N 3.41Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 HydrophobicContact CB-CG 4.17Å; L290-R292 PolarHBondContact O-N 3.37Å; L290-V377 HydrophobicContact CD1-CG1 4.32Å; L290-P378 HydrophobicContact CD1-CG 3.63Å; L290-F572 HydrophobicContact CD1-CD2 4.31Å; L290-F572 HydrophobicContact CD1-CE2 4.35Å; L290-F572 HydrophobicContact CD2-CD2 4.01Å; L290-F572 HydrophobicContact CD2-CE2 3.8Å; L290-F572 HydrophobicContact CD2-CZ 4.39Å; L290-F572 HydrophobicContact CG-CD2 4.34Å; L290-F572 HydrophobicContact CG-CE2 3.98Å; L290-A575 HydrophobicContact CD2-CB 3.72Å; L290-F576 HydrophobicContact CD2-CB 4.23Å
291E94.5Very high95.5Very high22 Ų2220.3 Ų20.310%0.1039%0.092CC..THydrogen-bonded Turntrans49.547.1-179.5-61.9-177.416400112.4C287 I288 L289 W320 H322 P341 T579 Q580 M581C287-E291 PolarHBondContact O-N 2.94Å; I288-E291 PolarHBondContact O-N 3.2Å; L289-E291 VanDerWaalsContact C-N 3.3Å; E291-W320 HydrophobicContact CB-CZ3 4.47Å; E291-W320 HydrophobicContact CG-CZ3 4.18Å; E291-H322 IonicContact OE1-CD2 3.63Å; E291-H322 IonicContact OE1-NE2 3.31Å; E291-H322 PolarHBondContact OE1-NE2 3.32Å; E291-H322 IonicContact OE2-CD2 3.59Å; E291-H322 IonicContact OE2-CE1 2.98Å; E291-H322 IonicContact OE2-NE2 3.13Å; E291-H322 PolarHBondContact OE2-NE2 3.42Å; E291-P341 HydrophobicContact CB-CB 4.18Å; E291-P341 HydrophobicContact CB-CG 4.09Å; E291-P341 WeakPolarHBondContact O-CB 3.17Å; E291-P341 WeakPolarHBondContact O-CG 3.19Å; E291-T579 HydrophobicContact CB-CG2 4.39Å; E291-T579 VanDerWaalsContact CD-CB 3.4Å; E291-T579 HydrophobicContact CG-CG2 3.87Å; E291-Q580 WeakPolarHBondContact OE1-CA 3.33Å; E291-Q580 WeakPolarHBondContact OE1-CB 3.38Å; E291-Q580 PolarHBondContact OE1-N 3.25Å; E291-Q580 PolarHBondContact OE2-N 2.96Å; E291-M581 HydrophobicContact CG-CE 3.81Å; E291-M581 HydrophobicContact CG-CG 4.49Å; E291-M581 VanDerWaalsContact OE1-CG 3.25Å; E291-M581 WeakPolarHBondContact OE1-CG 3.27Å; E291-M581 PolarHBondContact OE1-N 2.84Å
292R92.4Very high95.7Very high89 Ų8921.6 Ų21.634%0.33610%0.097SC..  trans-86.7164.5171.4-56.9-55.6-171.5163.24.5110.6C287 L290 V294C287-R292 HydrophobicContact CB-CB 4.15Å; C287-R292 WeakPolarHBondContact O-CB 3.28Å; C287-R292 PolarHBondContact O-N 3.08Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 HydrophobicContact CB-CG 4.17Å; L290-R292 PolarHBondContact O-N 3.37Å; R292-V294 PolarHBondContact O-N 3.31Å
293Q93Very high95.8Very high32 Ų3225.3 Ų25.315%0.1511%0.112CC..  trans-70.9123.5169.6-67.3176.3-20.800108.9A338 F340 F342 M361 C362Q293-A338 PolarHBondContact NE2-O 3.05Å; Q293-F340 WeakPolarHBondContact CG-O 3.27Å; Q293-F340 PolarHBondContact NE2-O 3.05Å; Q293-F342 HydrophobicContact CB-CD1 4.35Å; Q293-F342 HydrophobicContact CB-CD2 4.46Å; Q293-F342 HydrophobicContact CB-CE1 4.01Å; Q293-F342 HydrophobicContact CB-CE2 4.12Å; Q293-F342 HydrophobicContact CB-CZ 3.91Å; Q293-F342 HydrophobicContact CG-CD1 3.83Å; Q293-F342 HydrophobicContact CG-CE1 3.64Å; Q293-F342 HydrophobicContact CG-CG 4.42Å; Q293-F342 HydrophobicContact CG-CZ 4.08Å; Q293-M361 HydrophobicContact CB-CB 3.53Å; Q293-C362 WeakPolarHBondContact O-CB 3.37Å; Q293-C362 PolarHBondContact O-N 2.86Å
294V96.3Very high96Very high0 Ų022 Ų220%010%0.097CC..EExtended strand (participates in β ladder)trans-125.9122.1-179.9-175.90000109.2V284 C287 I288 R292 F296 F342 I343 M344 C362 V364V284-V294 HydrophobicContact CG1-CG1 4.24Å; C287-V294 HydrophobicContact CB-CG2 3.87Å; I288-V294 HydrophobicContact CG1-CB 4.38Å; I288-V294 HydrophobicContact CG1-CG1 4.46Å; I288-V294 HydrophobicContact CG1-CG2 3.75Å; R292-V294 PolarHBondContact O-N 3.31Å; V294-F296 HydrophobicContact CG1-CE1 4.44Å; V294-F296 HydrophobicContact CG1-CE2 4.1Å; V294-F296 HydrophobicContact CG1-CZ 4.03Å; V294-F342 PolarHBondContact N-O 3.41Å; V294-I343 WeakPolarHBondContact O-CA 3.45Å; V294-M344 PolarHBondContact O-N 3.38Å; V294-C362 WeakPolarHBondContact CA-O 3.48Å; V294-C362 HydrophobicContact CG2-CB 4.08Å; V294-V364 HydrophobicContact CG1-CG2 4.32Å
295L96.9Very high96Very high0 Ų022 Ų220%010%0.097CC..EExtended strand (participates in β ladder)trans-115112.6176.8-17864.2000110L336 M344 L346 V356 M361 C362 V364L295-L336 HydrophobicContact CD1-CD2 3.62Å; L295-L336 HydrophobicContact CD2-CD1 3.98Å; L295-L336 HydrophobicContact CD2-CD2 4Å; L295-L336 HydrophobicContact CG-CD2 4.34Å; L295-M344 WeakPolarHBondContact CA-O 3.28Å; L295-M344 HydrophobicContact CD1-CB 3.89Å; L295-L346 HydrophobicContact CD1-CB 4.01Å; L295-V356 HydrophobicContact CD2-CG1 3.36Å; L295-V356 HydrophobicContact CD2-CG2 4.44Å; L295-M361 HydrophobicContact CB-SD 4.2Å; L295-M361 HydrophobicContact CD2-SD 4.4Å; L295-C362 PolarHBondContact N-O 3.37Å; L295-V364 PolarHBondContact O-N 3.16Å
296F98.1Very high96.1Very high1 Ų121.9 Ų21.90%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-82.3130.3169.4-68.7-66.3000110.2V284 I288 V294 L304 F307 A308 F311 I343 M344 G345 L346 V364 I366V284-F296 HydrophobicContact CG1-CE1 3.73Å; V284-F296 HydrophobicContact CG1-CZ 3.65Å; I288-F296 HydrophobicContact CD1-CZ 4.34Å; V294-F296 HydrophobicContact CG1-CE1 4.44Å; V294-F296 HydrophobicContact CG1-CE2 4.1Å; V294-F296 HydrophobicContact CG1-CZ 4.03Å; F296-L304 HydrophobicContact CB-CD2 3.9Å; F296-L304 WeakPolarHBondContact O-CD2 3.21Å; F296-F307 HydrophobicContact CD1-CB 4.08Å; F296-F307 HydrophobicContact CD1-CD1 4.16Å; F296-F307 HydrophobicContact CE1-CB 4.1Å; F296-F307 AromaticContact CE1-CD1 3.96Å; F296-F307 HydrophobicContact CE1-CD1 3.96Å; F296-F307 HydrophobicContact CG-CB 4.38Å; F296-F307 HydrophobicContact CZ-CB 4.4Å; F296-A308 HydrophobicContact CD2-CB 4.33Å; F296-A308 HydrophobicContact CE2-CB 4.4Å; F296-F311 HydrophobicContact CE1-CD2 4.02Å; F296-F311 AromaticContact CE1-CE2 3.99Å; F296-F311 HydrophobicContact CE1-CE2 3.99Å; F296-F311 HydrophobicContact CE2-CD2 4.43Å; F296-F311 AromaticContact CZ-CD2 3.48Å; F296-F311 HydrophobicContact CZ-CD2 3.48Å; F296-F311 VanDerWaalsContact CZ-CD2 3.48Å; F296-F311 AromaticContact CZ-CE2 3.92Å; F296-F311 HydrophobicContact CZ-CE2 3.92Å; F296-F311 HydrophobicContact CZ-CG 4.27Å; F296-I343 HydrophobicContact CD2-CG2 4.06Å; F296-I343 HydrophobicContact CE2-CG2 3.78Å; F296-M344 PolarHBondContact N-O 3Å; F296-G345 CarbonylContact O-C 3.6Å; F296-G345 WeakPolarHBondContact O-CA 3.22Å; F296-L346 PolarHBondContact O-N 2.86Å; F296-V364 HydrophobicContact CD1-CB 3.82Å; F296-V364 HydrophobicContact CD1-CG1 3.88Å; F296-V364 HydrophobicContact CD1-CG2 4.24Å; F296-V364 HydrophobicContact CE1-CB 4.19Å; F296-V364 HydrophobicContact CE1-CG1 4.08Å; F296-V364 HydrophobicContact CE1-CG2 4.18Å; F296-I366 HydrophobicContact CB-CD1 4Å; F296-I366 HydrophobicContact CD1-CD1 4.02Å; F296-I366 HydrophobicContact CD1-CG1 4.26Å; F296-I366 HydrophobicContact CG-CD1 4.35Å
297C96.5Very high96.3Very high0 Ų021.6 Ų21.60%010%0.095CC..EExtended strand (participates in β ladder)trans-120.8127.1178.4-670000109.1L346 Y348 I352 V364 I366C297-L346 WeakPolarHBondContact CA-O 3.18Å; C297-Y348 HydrophobicContact CB-CD1 3.96Å; C297-Y348 HydrophobicContact CB-CE1 3.88Å; C297-I352 HydrophobicContact CB-CD1 3.41Å; C297-I352 VanDerWaalsContact CB-CD1 3.41Å; C297-I352 HydrophobicContact CB-CG1 3.8Å; C297-V364 PolarHBondContact N-O 3.29Å; C297-I366 PolarHBondContact O-N 3.45Å
298S96.6Very high96.3Very high0 Ų021.6 Ų21.60%010%0.095CC..EExtended strand (participates in β ladder)trans-155.4157172.5-176.40000111D300 L346 C347 Y348 D367S298-D300 PolarHBondContact OG-N 3.05Å; S298-D300 VanDerWaalsContact OG-N 3.12Å; S298-L346 PolarHBondContact N-O 3.45Å; S298-C347 VanDerWaalsContact O-CA 3.25Å; S298-C347 WeakPolarHBondContact O-CA 3.03Å; S298-Y348 PolarHBondContact O-N 3.43Å; S298-D367 WeakPolarHBondContact CA-OD2 3.46Å; S298-D367 PolarHBondContact OG-OD1 3Å; S298-D367 PolarHBondContact OG-OD2 3.21Å
299K93.3Very high96.3Very high105 Ų10522 Ų2246%0.45710%0.097SC..SBendtrans-74.9-14.5167.8-57.5-170.3-177.4-149.40113Y348 D349 D350 D367K299-Y348 HydrophobicContact CD-CE2 4.18Å; K299-Y348 HydrophobicContact CG-CD2 4.02Å; K299-Y348 HydrophobicContact CG-CE2 3.69Å; K299-D349 WeakPolarHBondContact CD-O 3.48Å; K299-D349 WeakPolarHBondContact CE-O 3.35Å; K299-D349 PolarHBondContact NZ-O 3.29Å; K299-D350 PolarHBondContact NZ-O 3.21Å; K299-D350 VanDerWaalsContact NZ-O 3.16Å; K299-D367 PolarHBondContact N-OD2 3.24Å
300D95.5Very high96.4Very high54 Ų5421.9 Ų21.929%0.28910%0.096SC..  trans-111.6122.2-176.4-177.42.6000111.6S298 Q302 R303 L304S298-D300 PolarHBondContact OG-N 3.05Å; S298-D300 VanDerWaalsContact OG-N 3.12Å; D300-Q302 VanDerWaalsContact C-N 3.34Å; D300-Q302 PolarHBondContact O-N 2.89Å; D300-Q302 PolarHBondContact OD1-N 2.87Å; D300-R303 HydrophobicContact CB-CB 4.18Å; D300-R303 HydrophobicContact CB-CG 3.99Å; D300-R303 PolarHBondContact O-N 3.36Å; D300-R303 IonicContact OD2-CZ 2.87Å; D300-R303 IonicContact OD2-NE 3.96Å; D300-L304 PolarHBondContact O-N 3.36Å
301L96.8Very high96.5Very high27 Ų2721.3 Ų21.314%0.1419%0.093CC..Hα-helixtrans-64.3-36.5179.2-65.4174.3000112.5P68 H86 R303 L304 M305 I327 C347P68-L301 HydrophobicContact CG-CD1 3.59Å; P68-L301 HydrophobicContact CG-CD2 3.62Å; P68-L301 HydrophobicContact CG-CG 4.27Å; H86-L301 HydrophobicContact CB-CB 3.72Å; L301-R303 VanDerWaalsContact C-N 3.3Å; L301-R303 PolarHBondContact O-N 3.49Å; L301-L304 HydrophobicContact CD2-CD1 4.29Å; L301-L304 WeakPolarHBondContact O-CB 3.21Å; L301-L304 PolarHBondContact O-N 3.47Å; L301-M305 PolarHBondContact O-N 3.04Å; L301-I327 HydrophobicContact CB-CD1 4.37Å; L301-I327 HydrophobicContact CD2-CD1 4.42Å; L301-I327 HydrophobicContact CD2-CG1 4.45Å; L301-I327 HydrophobicContact CD2-CG2 4.04Å; L301-C347 HydrophobicContact CD2-CB 3.53Å
302Q97.6Very high96.5Very high26 Ų2621.4 Ų21.412%0.1219%0.094CC..Hα-helixtrans-68.6-33.5-179.7-179.45711.400111.2F85 H86 T87 D300 M305 L306F85-Q302 WeakPolarHBondContact O-CB 3.41Å; H86-Q302 HydrophobicContact CB-CB 4.02Å; T87-Q302 PolarHBondContact OG1-OE1 3.01Å; D300-Q302 VanDerWaalsContact C-N 3.34Å; D300-Q302 PolarHBondContact O-N 2.89Å; D300-Q302 PolarHBondContact OD1-N 2.87Å; Q302-M305 PolarHBondContact O-N 3.44Å; Q302-L306 WeakPolarHBondContact O-CB 3.35Å; Q302-L306 PolarHBondContact O-N 3.03Å
303R97.4Very high96.7Very high80 Ų8018.5 Ų18.530%0.3029%0.085SC..Hα-helixtrans-64.5-40.4173.2-72.6-174.8-169.7129.10.7112.3D300 L301 M305 L306 F307 D367D300-R303 HydrophobicContact CB-CB 4.18Å; D300-R303 HydrophobicContact CB-CG 3.99Å; D300-R303 PolarHBondContact O-N 3.36Å; D300-R303 IonicContact OD2-CZ 2.87Å; D300-R303 IonicContact OD2-NE 3.96Å; L301-R303 VanDerWaalsContact C-N 3.3Å; L301-R303 PolarHBondContact O-N 3.49Å; R303-M305 PolarHBondContact O-N 3.37Å; R303-L306 PolarHBondContact O-N 2.94Å; R303-F307 WeakPolarHBondContact O-CB 3.27Å; R303-F307 WeakPolarHBondContact O-CD2 3.21Å; R303-F307 PolarHBondContact O-N 3.29Å; R303-D367 IonicContact CZ-OD1 3.21Å; R303-D367 IonicContact NE-OD1 2.82Å; R303-D367 IonicContact NH1-OD1 3.7Å; R303-D367 PolarHBondContact NH1-OD1 3.36Å
304L97.9Very high96.8Very high0 Ų017.1 Ų17.10%08%0.078CC..Hα-helixtrans-58.2-48.8175.8-64.9178.4000111.2F296 D300 L301 A308 C347 I366F296-L304 HydrophobicContact CB-CD2 3.9Å; F296-L304 WeakPolarHBondContact O-CD2 3.21Å; D300-L304 PolarHBondContact O-N 3.36Å; L301-L304 HydrophobicContact CD2-CD1 4.29Å; L301-L304 WeakPolarHBondContact O-CB 3.21Å; L301-L304 PolarHBondContact O-N 3.47Å; L304-A308 VanDerWaalsContact O-CB 3.3Å; L304-A308 WeakPolarHBondContact O-CB 3.44Å; L304-A308 PolarHBondContact O-N 3.41Å; L304-C347 HydrophobicContact CD1-CB 3.99Å; L304-I366 HydrophobicContact CD2-CD1 4.26Å
305M97.8Very high96.8Very high1 Ų117.1 Ų17.11%0.0058%0.078CC..Hα-helixtrans-62.5-49.5176.1-72.2-61.6-55.200112.4T87 V89 Y267 L301 Q302 R303 F307 A308 E309 P326 I327T87-M305 WeakPolarHBondContact O-CG 3.31Å; T87-M305 WeakPolarHBondContact OG1-CB 3.41Å; V89-M305 HydrophobicContact CB-CE 4.18Å; V89-M305 HydrophobicContact CG1-CE 3.87Å; V89-M305 HydrophobicContact CG1-SD 4.43Å; Y267-M305 HydrophobicContact CE1-CB 4.14Å; Y267-M305 WeakPolarHBondContact OH-CE 3.35Å; L301-M305 PolarHBondContact O-N 3.04Å; Q302-M305 PolarHBondContact O-N 3.44Å; R303-M305 PolarHBondContact O-N 3.37Å; M305-F307 VanDerWaalsContact C-N 3.32Å; M305-F307 PolarHBondContact O-N 3.49Å; M305-A308 PolarHBondContact O-N 2.86Å; M305-E309 HydrophobicContact CE-CG 4.03Å; M305-E309 VanDerWaalsContact O-CB 3.28Å; M305-E309 WeakPolarHBondContact O-CB 3.38Å; M305-E309 WeakPolarHBondContact O-CG 3.35Å; M305-E309 PolarHBondContact O-N 3.31Å; M305-P326 HydrophobicContact SD-CB 3.52Å; M305-P326 VanDerWaalsContact SD-CB 3.52Å; M305-P326 HydrophobicContact SD-CG 4.19Å; M305-I327 HydrophobicContact CG-CD1 3.81Å; M305-I327 HydrophobicContact CG-CG1 4.15Å; M305-I327 HydrophobicContact SD-CD1 3.94Å; M305-I327 HydrophobicContact SD-CG1 3.99Å
306L98.2Very high96.7Very high2 Ų217.7 Ų17.71%0.018%0.081CC..Hα-helixtrans-54.3-48179.8170.264.2000111.3Y267 P268 E271 V272 Q302 R303 T310Y267-L306 HydrophobicContact CD1-CB 4.37Å; Y267-L306 HydrophobicContact CD1-CD1 4.19Å; Y267-L306 HydrophobicContact CG-CD1 4.48Å; P268-L306 HydrophobicContact CG-CD1 4.32Å; E271-L306 HydrophobicContact CB-CD2 3.57Å; V272-L306 HydrophobicContact CG2-CD1 3.91Å; V272-L306 HydrophobicContact CG2-CD2 4.01Å; V272-L306 HydrophobicContact CG2-CG 3.59Å; Q302-L306 WeakPolarHBondContact O-CB 3.35Å; Q302-L306 PolarHBondContact O-N 3.03Å; R303-L306 PolarHBondContact O-N 2.94Å; L306-T310 WeakPolarHBondContact O-CB 3.05Å; L306-T310 PolarHBondContact O-N 3.4Å; L306-T310 PolarHBondContact O-OG1 3.31Å
307F98.4Very high96.5Very high0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-66.2-51.5178.2-88.3-115.7000111.1V272 Q275 I276 F296 R303 M305 E309 T310 F311 I366V272-F307 HydrophobicContact CB-CE2 4.28Å; V272-F307 HydrophobicContact CB-CZ 4.39Å; V272-F307 HydrophobicContact CG1-CD1 4.24Å; V272-F307 HydrophobicContact CG1-CD2 4.44Å; V272-F307 HydrophobicContact CG1-CE1 3.89Å; V272-F307 HydrophobicContact CG1-CE2 4.12Å; V272-F307 HydrophobicContact CG1-CG 4.49Å; V272-F307 HydrophobicContact CG1-CZ 3.82Å; V272-F307 HydrophobicContact CG2-CD2 3.96Å; V272-F307 HydrophobicContact CG2-CE2 4.01Å; V272-F307 HydrophobicContact CG2-CG 4.45Å; Q275-F307 HydrophobicContact CB-CE2 4.39Å; Q275-F307 HydrophobicContact CB-CZ 4.18Å; I276-F307 HydrophobicContact CB-CE1 4.09Å; I276-F307 HydrophobicContact CB-CZ 4.13Å; I276-F307 HydrophobicContact CD1-CE1 3.95Å; I276-F307 HydrophobicContact CG2-CE1 4.18Å; I276-F307 HydrophobicContact CG2-CZ 4.33Å; F296-F307 HydrophobicContact CD1-CB 4.08Å; F296-F307 HydrophobicContact CD1-CD1 4.16Å; F296-F307 HydrophobicContact CE1-CB 4.1Å; F296-F307 AromaticContact CE1-CD1 3.96Å; F296-F307 HydrophobicContact CE1-CD1 3.96Å; F296-F307 HydrophobicContact CG-CB 4.38Å; F296-F307 HydrophobicContact CZ-CB 4.4Å; R303-F307 WeakPolarHBondContact O-CB 3.27Å; R303-F307 WeakPolarHBondContact O-CD2 3.21Å; R303-F307 PolarHBondContact O-N 3.29Å; M305-F307 VanDerWaalsContact C-N 3.32Å; M305-F307 PolarHBondContact O-N 3.49Å; F307-E309 PolarHBondContact O-N 3.03Å; F307-T310 PolarHBondContact O-N 2.93Å; F307-F311 AromaticContact CD1-CE2 3.93Å; F307-F311 HydrophobicContact CD1-CE2 3.93Å; F307-F311 VanDerWaalsContact O-CD2 3.22Å; F307-F311 WeakPolarHBondContact O-CD2 3.45Å; F307-F311 PolarHBondContact O-N 3.45Å; F307-I366 HydrophobicContact CB-CD1 3.9Å; F307-I366 HydrophobicContact CD1-CD1 3.85Å; F307-I366 HydrophobicContact CD1-CG1 3.87Å; F307-I366 HydrophobicContact CD2-CD1 3.88Å; F307-I366 HydrophobicContact CD2-CG1 4.43Å; F307-I366 HydrophobicContact CD2-CG2 4.1Å; F307-I366 HydrophobicContact CE1-CD1 4.38Å; F307-I366 HydrophobicContact CE1-CG1 4Å; F307-I366 HydrophobicContact CE1-CG2 4.05Å; F307-I366 HydrophobicContact CE2-CD1 4.4Å; F307-I366 HydrophobicContact CE2-CG2 3.55Å; F307-I366 HydrophobicContact CG-CD1 3.59Å; F307-I366 HydrophobicContact CG-CG1 4.12Å; F307-I366 HydrophobicContact CZ-CB 4.5Å; F307-I366 HydrophobicContact CZ-CG1 4.34Å; F307-I366 HydrophobicContact CZ-CG2 3.53Å
308A97.4Very high96.5Very high0 Ų018.5 Ų18.50%09%0.085CC..Hα-helixtrans-61.2-42.6-176.700000112.9F296 L304 M305 Q312 Y324 P326 I343F296-A308 HydrophobicContact CD2-CB 4.33Å; F296-A308 HydrophobicContact CE2-CB 4.4Å; L304-A308 VanDerWaalsContact O-CB 3.3Å; L304-A308 WeakPolarHBondContact O-CB 3.44Å; L304-A308 PolarHBondContact O-N 3.41Å; M305-A308 PolarHBondContact O-N 2.86Å; A308-Q312 VanDerWaalsContact O-CB 3.29Å; A308-Q312 WeakPolarHBondContact O-CB 3.41Å; A308-Q312 PolarHBondContact O-N 3.41Å; A308-Q312 VanDerWaalsContact O-N 3.07Å; A308-Y324 HydrophobicContact CB-CE2 4.16Å; A308-Y324 PolarHBondContact O-OH 3.2Å; A308-P326 HydrophobicContact CB-CB 3.66Å; A308-P326 HydrophobicContact CB-CG 3.8Å; A308-I343 HydrophobicContact CB-CG2 4.27Å
309E97.1Very high96.2Very high9 Ų923.9 Ų23.94%0.04211%0.105CC..Hα-helixtrans-71.3-40.1177.9-71.7-76170.200111.2F265 Y267 M305 F307 Q312 I313 Y324F265-E309 HydrophobicContact CE2-CB 4.1Å; F265-E309 WeakPolarHBondContact CE2-O 3.36Å; Y267-E309 HydrophobicContact CD2-CB 3.82Å; Y267-E309 HydrophobicContact CD2-CG 4.22Å; Y267-E309 HydrophobicContact CE2-CB 3.73Å; Y267-E309 HydrophobicContact CE2-CG 3.59Å; Y267-E309 HydrophobicContact CG-CB 4.33Å; M305-E309 HydrophobicContact CE-CG 4.03Å; M305-E309 VanDerWaalsContact O-CB 3.28Å; M305-E309 WeakPolarHBondContact O-CB 3.38Å; M305-E309 WeakPolarHBondContact O-CG 3.35Å; M305-E309 PolarHBondContact O-N 3.31Å; F307-E309 PolarHBondContact O-N 3.03Å; E309-Q312 PolarHBondContact O-N 3.44Å; E309-I313 PolarHBondContact O-N 2.73Å; E309-Y324 PolarHBondContact N-OH 3.45Å; E309-Y324 PolarHBondContact OE1-OH 2.88Å
310T98Very high96.1Very high0 Ų019.6 Ų19.60%09%0.086CC..Hα-helixtrans-60.5-49.1175.3-63.30000111.4I269 V272 L306 F307 Q312 I313 L314I269-T310 HydrophobicContact CB-CG2 4.46Å; I269-T310 HydrophobicContact CD1-CG2 4.44Å; I269-T310 HydrophobicContact CG1-CG2 4.04Å; I269-T310 HydrophobicContact CG2-CG2 4.05Å; V272-T310 HydrophobicContact CB-CG2 4.38Å; V272-T310 HydrophobicContact CG1-CG2 4.47Å; V272-T310 HydrophobicContact CG2-CG2 4.02Å; V272-T310 WeakPolarHBondContact CG2-OG1 3.36Å; L306-T310 WeakPolarHBondContact O-CB 3.05Å; L306-T310 PolarHBondContact O-N 3.4Å; L306-T310 PolarHBondContact O-OG1 3.31Å; F307-T310 PolarHBondContact O-N 2.93Å; T310-Q312 VanDerWaalsContact C-N 3.33Å; T310-Q312 PolarHBondContact O-N 3.43Å; T310-I313 VanDerWaalsContact O-CG2 3.31Å; T310-I313 WeakPolarHBondContact O-CG2 3.31Å; T310-I313 PolarHBondContact O-N 3.3Å; T310-L314 HydrophobicContact CG2-CD1 3.92Å; T310-L314 WeakPolarHBondContact O-CG 3.41Å; T310-L314 PolarHBondContact O-N 3.06Å
311F97.8Very high95.7Very high0 Ų018.8 Ų18.80%08%0.081CC..Hα-helixtrans-66-37.6178.6-79.9-73.1000112.1F281 V284 Y285 I288 F296 F307 L314 L315F281-F311 HydrophobicContact CD1-CE1 4.31Å; F281-F311 HydrophobicContact CD2-CE1 4.19Å; F281-F311 AromaticContact CD2-CZ 3.75Å; F281-F311 HydrophobicContact CD2-CZ 3.75Å; F281-F311 HydrophobicContact CE1-CE1 4.07Å; F281-F311 AromaticContact CE2-CE1 3.98Å; F281-F311 HydrophobicContact CE2-CE1 3.98Å; F281-F311 AromaticContact CE2-CZ 3.8Å; F281-F311 HydrophobicContact CE2-CZ 3.8Å; F281-F311 HydrophobicContact CG-CE1 4.36Å; F281-F311 HydrophobicContact CG-CZ 4.16Å; F281-F311 AromaticContact CZ-CE1 3.91Å; F281-F311 HydrophobicContact CZ-CE1 3.91Å; F281-F311 HydrophobicContact CZ-CZ 4.22Å; V284-F311 HydrophobicContact CB-CE1 4.02Å; V284-F311 HydrophobicContact CB-CE2 4.31Å; V284-F311 HydrophobicContact CB-CZ 3.77Å; V284-F311 HydrophobicContact CG1-CD1 4.16Å; V284-F311 HydrophobicContact CG1-CD2 4.04Å; V284-F311 HydrophobicContact CG1-CE1 3.84Å; V284-F311 HydrophobicContact CG1-CE2 3.71Å; V284-F311 HydrophobicContact CG1-CG 4.27Å; V284-F311 HydrophobicContact CG1-CZ 3.6Å; Y285-F311 HydrophobicContact CD2-CD1 4.1Å; Y285-F311 HydrophobicContact CD2-CE1 4.5Å; I288-F311 HydrophobicContact CD1-CB 3.44Å; I288-F311 VanDerWaalsContact CD1-CB 3.44Å; I288-F311 HydrophobicContact CD1-CD1 3.97Å; I288-F311 HydrophobicContact CD1-CD2 4.44Å; I288-F311 HydrophobicContact CD1-CG 3.7Å; F296-F311 HydrophobicContact CE1-CD2 4.02Å; F296-F311 AromaticContact CE1-CE2 3.99Å; F296-F311 HydrophobicContact CE1-CE2 3.99Å; F296-F311 HydrophobicContact CE2-CD2 4.43Å; F296-F311 AromaticContact CZ-CD2 3.48Å; F296-F311 HydrophobicContact CZ-CD2 3.48Å; F296-F311 VanDerWaalsContact CZ-CD2 3.48Å; F296-F311 AromaticContact CZ-CE2 3.92Å; F296-F311 HydrophobicContact CZ-CE2 3.92Å; F296-F311 HydrophobicContact CZ-CG 4.27Å; F307-F311 AromaticContact CD1-CE2 3.93Å; F307-F311 HydrophobicContact CD1-CE2 3.93Å; F307-F311 VanDerWaalsContact O-CD2 3.22Å; F307-F311 WeakPolarHBondContact O-CD2 3.45Å; F307-F311 PolarHBondContact O-N 3.45Å; F311-L314 PolarHBondContact O-N 3.22Å; F311-L315 WeakPolarHBondContact O-CG 3.43Å
312Q94.2Very high95.2Very high23 Ų2320 Ų2011%0.1079%0.085CC..Hα-helixtrans-64.1-42178.1-172.7173.762.600112.3A308 E309 T310 L314 L315 Y324A308-Q312 VanDerWaalsContact O-CB 3.29Å; A308-Q312 WeakPolarHBondContact O-CB 3.41Å; A308-Q312 PolarHBondContact O-N 3.41Å; A308-Q312 VanDerWaalsContact O-N 3.07Å; E309-Q312 PolarHBondContact O-N 3.44Å; T310-Q312 VanDerWaalsContact C-N 3.33Å; T310-Q312 PolarHBondContact O-N 3.43Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 2.66Å; Q312-L315 WeakPolarHBondContact O-CB 3.46Å; Q312-L315 PolarHBondContact O-N 3.4Å; Q312-Y324 HydrophobicContact CB-CE2 4.35Å
313I95.6Very high94.6Very high29 Ų2920.5 Ų20.515%0.1499%0.091CC..Hα-helixtrans-71.4-26.6-179-158.667.5000112.9P263 F265 E309 T310 L315 F316P263-I313 HydrophobicContact CB-CD1 4.3Å; F265-I313 HydrophobicContact CB-CD1 4.39Å; F265-I313 HydrophobicContact CB-CG1 4.01Å; F265-I313 HydrophobicContact CD1-CG2 4.17Å; F265-I313 HydrophobicContact CD2-CB 3.6Å; F265-I313 HydrophobicContact CD2-CD1 4.2Å; F265-I313 HydrophobicContact CD2-CG1 3.65Å; F265-I313 HydrophobicContact CD2-CG2 3.57Å; F265-I313 HydrophobicContact CE1-CG2 4.03Å; F265-I313 HydrophobicContact CE2-CB 3.73Å; F265-I313 HydrophobicContact CE2-CG1 4.31Å; F265-I313 HydrophobicContact CE2-CG2 3.4Å; F265-I313 HydrophobicContact CG-CB 4.22Å; F265-I313 HydrophobicContact CG-CG1 3.9Å; F265-I313 HydrophobicContact CG-CG2 3.94Å; F265-I313 HydrophobicContact CZ-CB 4.46Å; F265-I313 HydrophobicContact CZ-CG2 3.62Å; E309-I313 PolarHBondContact O-N 2.73Å; T310-I313 VanDerWaalsContact O-CG2 3.31Å; T310-I313 WeakPolarHBondContact O-CG2 3.31Å; T310-I313 PolarHBondContact O-N 3.3Å; I313-L315 PolarHBondContact O-N 3.13Å; I313-F316 PolarHBondContact O-N 3.19Å
314L96.2Very high94.3Very high2 Ų217.4 Ų17.41%0.018%0.079CC..THydrogen-bonded Turntrans-77.1-3.8177.5-67.1174.9000113.6I269 F281 Y285 T310 F311 Q312 F316 V518 R519 F522I269-L314 HydrophobicContact CD1-CD2 4.43Å; F281-L314 HydrophobicContact CE1-CD1 4.36Å; F281-L314 HydrophobicContact CZ-CD1 3.59Å; Y285-L314 HydrophobicContact CE2-CB 3.96Å; Y285-L314 PolarHBondContact OH-O 3.01Å; T310-L314 HydrophobicContact CG2-CD1 3.92Å; T310-L314 WeakPolarHBondContact O-CG 3.41Å; T310-L314 PolarHBondContact O-N 3.06Å; F311-L314 PolarHBondContact O-N 3.22Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 2.66Å; L314-F316 VanDerWaalsContact C-N 3.28Å; L314-V518 HydrophobicContact CD2-CG1 4.28Å; L314-R519 HydrophobicContact CD2-CG 3.89Å; L314-F522 HydrophobicContact CD1-CD2 4.43Å; L314-F522 HydrophobicContact CD1-CE2 4.17Å; L314-F522 HydrophobicContact CD1-CZ 4.48Å; L314-F522 HydrophobicContact CD2-CB 4.49Å; L314-F522 HydrophobicContact CD2-CD2 3.62Å; L314-F522 HydrophobicContact CD2-CE2 4.1Å; L314-F522 HydrophobicContact CD2-CG 4.16Å; L314-F522 HydrophobicContact CG-CD2 4.48Å
315L96Very high94Very high0 Ų018.8 Ų18.80%09%0.087CC..THydrogen-bonded Turntrans-80-8.4172.7-56.9175.3000112.8Y285 I288 L289 F311 Q312 I313 F318 W320 M581Y285-L315 HydrophobicContact CE2-CD2 4.1Å; I288-L315 HydrophobicContact CG2-CD1 3.75Å; I288-L315 HydrophobicContact CG2-CD2 3.75Å; I288-L315 HydrophobicContact CG2-CG 4.27Å; L289-L315 HydrophobicContact CD2-CD2 3.61Å; L289-L315 HydrophobicContact CG-CD2 4.22Å; F311-L315 WeakPolarHBondContact O-CG 3.43Å; Q312-L315 WeakPolarHBondContact O-CB 3.46Å; Q312-L315 PolarHBondContact O-N 3.4Å; I313-L315 PolarHBondContact O-N 3.13Å; L315-F318 HydrophobicContact CB-CB 4.42Å; L315-F318 WeakPolarHBondContact O-CA 3.31Å; L315-F318 WeakPolarHBondContact O-CB 3.2Å; L315-F318 VanDerWaalsContact O-CD2 3.26Å; L315-F318 WeakPolarHBondContact O-CD2 3.47Å; L315-F318 PolarHBondContact O-N 3.44Å; L315-W320 HydrophobicContact CD1-CB 4.29Å; L315-W320 HydrophobicContact CD1-CE3 4.4Å; L315-M581 HydrophobicContact CD1-SD 3.91Å
316F94.9Very high93.8Very high13 Ų1318.8 Ų18.86%0.0579%0.088CC..THydrogen-bonded Turntrans-49.9130.7-179.1-179-86.3000111.5L262 P263 I313 L314 L523 F526 N600 L603L262-F316 HydrophobicContact CD2-CD1 4.12Å; L262-F316 HydrophobicContact CD2-CE1 4.05Å; L262-F316 HydrophobicContact CD2-CZ 4.41Å; P263-F316 HydrophobicContact CG-CD2 3.92Å; P263-F316 HydrophobicContact CG-CE2 4Å; I313-F316 PolarHBondContact O-N 3.19Å; L314-F316 VanDerWaalsContact C-N 3.28Å; F316-L523 HydrophobicContact CD1-CD1 3.82Å; F316-L523 HydrophobicContact CD1-CD2 4.2Å; F316-L523 HydrophobicContact CD1-CG 4.43Å; F316-L523 HydrophobicContact CE1-CD1 3.72Å; F316-L523 HydrophobicContact CE1-CD2 3.89Å; F316-L523 HydrophobicContact CE1-CG 4.4Å; F316-F526 WeakPolarHBondContact O-CD2 3.16Å; F316-N600 HydrophobicContact CD2-CB 4.37Å; F316-N600 HydrophobicContact CE2-CB 3.65Å; F316-N600 HydrophobicContact CZ-CB 4.38Å; F316-L603 HydrophobicContact CE2-CD2 4.39Å; F316-L603 HydrophobicContact CZ-CB 4.23Å; F316-L603 HydrophobicContact CZ-CD2 3.8Å; F316-L603 HydrophobicContact CZ-CG 4.13Å
317P94.3Very high93.6Very high8 Ų819 Ų195%0.0529%0.088CC..THydrogen-bonded Turncis-85.7-3.913.337.6-40.9000115.3F585 F604P317-F585 HydrophobicContact CB-CD2 4.33Å; P317-F585 HydrophobicContact CB-CE2 3.97Å; P317-F585 HydrophobicContact CG-CD2 4.04Å; P317-F585 HydrophobicContact CG-CE2 3.62Å; P317-F585 HydrophobicContact CG-CZ 4.25Å; P317-F604 HydrophobicContact CB-CB 3.94Å; P317-F604 HydrophobicContact CB-CD2 3.82Å; P317-F604 HydrophobicContact CB-CG 3.98Å; P317-F604 HydrophobicContact CG-CB 4.38Å; P317-F604 HydrophobicContact CG-CD2 3.42Å; P317-F604 VanDerWaalsContact CG-CD2 3.42Å; P317-F604 HydrophobicContact CG-CE2 3.72Å; P317-F604 HydrophobicContact CG-CG 3.86Å; P317-F604 HydrophobicContact CG-CZ 4.39Å
318F95.3Very high93.2Very high9 Ų919.2 Ų19.24%0.0399%0.09CC..  trans-70.6152.5-178.8-52.9-76.8000111.7L315 F526 L530 F576 M581 F582 F585L315-F318 HydrophobicContact CB-CB 4.42Å; L315-F318 WeakPolarHBondContact O-CA 3.31Å; L315-F318 WeakPolarHBondContact O-CB 3.2Å; L315-F318 VanDerWaalsContact O-CD2 3.26Å; L315-F318 WeakPolarHBondContact O-CD2 3.47Å; L315-F318 PolarHBondContact O-N 3.44Å; F318-F526 HydrophobicContact CD2-CE1 4.25Å; F318-F526 HydrophobicContact CD2-CE2 4.38Å; F318-F526 HydrophobicContact CD2-CZ 4.19Å; F318-F526 AromaticContact CE2-CD1 3.66Å; F318-F526 HydrophobicContact CE2-CD1 3.66Å; F318-F526 HydrophobicContact CE2-CD2 4.39Å; F318-F526 AromaticContact CE2-CE1 3.69Å; F318-F526 HydrophobicContact CE2-CE1 3.69Å; F318-F526 HydrophobicContact CE2-CE2 4.4Å; F318-F526 HydrophobicContact CE2-CG 4.03Å; F318-F526 HydrophobicContact CE2-CZ 4.09Å; F318-L530 HydrophobicContact CE2-CD1 4.23Å; F318-L530 HydrophobicContact CZ-CD1 3.65Å; F318-F576 HydrophobicContact CD2-CZ 4.21Å; F318-F576 AromaticContact CE1-CZ 3.99Å; F318-F576 HydrophobicContact CE1-CZ 3.99Å; F318-F576 HydrophobicContact CE2-CE1 4.44Å; F318-F576 AromaticContact CE2-CZ 3.67Å; F318-F576 HydrophobicContact CE2-CZ 3.67Å; F318-F576 HydrophobicContact CZ-CE1 4.01Å; F318-F576 AromaticContact CZ-CZ 3.54Å; F318-F576 HydrophobicContact CZ-CZ 3.54Å; F318-M581 HydrophobicContact CB-CB 4.28Å; F318-M581 HydrophobicContact CB-SD 4.32Å; F318-M581 HydrophobicContact CD1-CB 4.49Å; F318-F582 HydrophobicContact CE1-CD2 4.14Å; F318-F582 HydrophobicContact CZ-CD2 4.48Å; F318-F585 HydrophobicContact CD1-CB 3.73Å; F318-F585 HydrophobicContact CD1-CG 4.09Å; F318-F585 HydrophobicContact CE1-CB 3.66Å; F318-F585 AromaticContact CE1-CD1 3.86Å; F318-F585 HydrophobicContact CE1-CD1 3.86Å; F318-F585 HydrophobicContact CE1-CD2 4.3Å; F318-F585 AromaticContact CE1-CG 3.68Å; F318-F585 HydrophobicContact CE1-CG 3.68Å; F318-F585 HydrophobicContact CZ-CD1 4.46Å
319R90.2Very high92.5Very high114 Ų11419.4 Ų19.443%0.439%0.091SC..  trans-119.9127.9172.9-66.6-177.1-179.9137.76108.3Q321 M581 D598 N600R319-Q321 WeakPolarHBondContact O-CG 3.45Å; R319-Q321 PolarHBondContact O-N 2.98Å; R319-Q321 PolarHBondContact O-NE2 3.11Å; R319-M581 WeakPolarHBondContact O-CG 3.29Å; R319-D598 IonicContact CZ-OD1 3.63Å; R319-D598 IonicContact CZ-OD2 3.65Å; R319-D598 IonicContact NH1-OD1 3.47Å; R319-D598 IonicContact NH1-OD2 2.75Å; R319-D598 PolarHBondContact NH1-OD2 3.35Å; R319-D598 IonicContact NH2-OD1 2.82Å; R319-D598 PolarHBondContact NH2-OD1 3.46Å; R319-D598 IonicContact NH2-OD2 3.61Å; R319-D598 PolarHBondContact NH2-OD2 2.85Å; R319-N600 PolarHBondContact NE-ND2 3.3Å; R319-N600 VanDerWaalsContact NH2-CG 3.33Å; R319-N600 PolarHBondContact NH2-ND2 3.39Å; R319-N600 VanDerWaalsContact NH2-ND2 3.12Å
320W92Very high91.4Very high15 Ų1520.9 Ų20.96%0.05710%0.102CC..  trans-52.5128.9172.8-176.1-105000111.1I288 E291 L315 H322 V323 P341 I343 M581I288-W320 HydrophobicContact CG2-CE3 4Å; I288-W320 HydrophobicContact CG2-CZ3 3.89Å; I288-W320 WeakPolarHBondContact O-CZ3 3.42Å; E291-W320 HydrophobicContact CB-CZ3 4.47Å; E291-W320 HydrophobicContact CG-CZ3 4.18Å; L315-W320 HydrophobicContact CD1-CB 4.29Å; L315-W320 HydrophobicContact CD1-CE3 4.4Å; W320-H322 HydrophobicContact CZ2-CB 3.73Å; W320-H322 VanDerWaalsContact NE1-C 3.29Å; W320-H322 PolarHBondContact NE1-O 3.19Å; W320-H322 VanDerWaalsContact NE1-O 3.1Å; W320-V323 PolarHBondContact NE1-O 3.25Å; W320-V323 VanDerWaalsContact NE1-O 3.08Å; W320-P341 HydrophobicContact CH2-CB 4.11Å; W320-P341 HydrophobicContact CZ2-CB 4.21Å; W320-I343 HydrophobicContact CD2-CD1 3.82Å; W320-I343 HydrophobicContact CD2-CG1 4.31Å; W320-I343 HydrophobicContact CE3-CD1 4.08Å; W320-I343 HydrophobicContact CG-CD1 4.26Å; W320-I343 HydrophobicContact CH2-CD1 4.46Å; W320-I343 HydrophobicContact CH2-CG1 4.15Å; W320-I343 HydrophobicContact CZ2-CD1 4.23Å; W320-I343 HydrophobicContact CZ2-CG1 3.79Å; W320-I343 HydrophobicContact CZ3-CD1 4.39Å; W320-M581 HydrophobicContact CE3-CE 4.08Å; W320-M581 HydrophobicContact CE3-SD 3.9Å; W320-M581 HydrophobicContact CZ3-CE 4.22Å
321Q85.7Confident89.9Confident36 Ų3624.5 Ų24.517%0.16812%0.124CC..  trans-104.3-4-171.8-61.9-63.8-40.300113.8R319 Q580 M581R319-Q321 WeakPolarHBondContact O-CG 3.45Å; R319-Q321 PolarHBondContact O-N 2.98Å; R319-Q321 PolarHBondContact O-NE2 3.11Å; Q321-Q580 HydrophobicContact CB-CB 4.05Å; Q321-Q580 HydrophobicContact CB-CG 3.71Å; Q321-Q580 HydrophobicContact CG-CB 4.22Å; Q321-Q580 HydrophobicContact CG-CG 3.86Å; Q321-M581 HydrophobicContact CG-CG 4.02Å
322H87.3Confident88.8Confident52 Ų5225.8 Ų25.824%0.24113%0.13CC..SBendtrans-115.2-170.5-170.7-55.1-73.9000112.2E291 W320 Y324 P341E291-H322 IonicContact OE1-CD2 3.63Å; E291-H322 IonicContact OE1-NE2 3.31Å; E291-H322 PolarHBondContact OE1-NE2 3.32Å; E291-H322 IonicContact OE2-CD2 3.59Å; E291-H322 IonicContact OE2-CE1 2.98Å; E291-H322 IonicContact OE2-NE2 3.13Å; E291-H322 PolarHBondContact OE2-NE2 3.42Å; W320-H322 HydrophobicContact CZ2-CB 3.73Å; W320-H322 VanDerWaalsContact NE1-C 3.29Å; W320-H322 PolarHBondContact NE1-O 3.19Å; W320-H322 VanDerWaalsContact NE1-O 3.1Å; H322-Y324 PolarHBondContact O-N 2.99Å; H322-P341 HydrophobicContact CB-CB 4.07Å; H322-P341 VanDerWaalsContact CB-O 3.29Å; H322-P341 WeakPolarHBondContact CB-O 3.45Å
323V85.9Confident87.9Confident38 Ų3826.5 Ų26.523%0.2314%0.136CC..EExtended strand (participates in β ladder)trans-61.1133.4-178.7176.10000110.7W320 V325 F340 F342 I343 M344W320-V323 PolarHBondContact NE1-O 3.25Å; W320-V323 VanDerWaalsContact NE1-O 3.08Å; V323-V325 HydrophobicContact CG1-CG2 3.78Å; V323-F340 HydrophobicContact CB-CE2 4.3Å; V323-F340 HydrophobicContact CG2-CD2 4.19Å; V323-F340 HydrophobicContact CG2-CE2 3.52Å; V323-F340 HydrophobicContact CG2-CZ 4.26Å; V323-F342 HydrophobicContact CB-CB 3.95Å; V323-F342 HydrophobicContact CG1-CB 4.31Å; V323-F342 VanDerWaalsContact O-CA 3.29Å; V323-F342 WeakPolarHBondContact O-CA 3.14Å; V323-I343 PolarHBondContact O-N 2.76Å; V323-M344 HydrophobicContact CG1-CE 3.7Å
324Y89.7Confident86.7Confident14 Ų1431.7 Ų31.76%0.05516%0.163CC..EExtended strand (participates in β ladder)trans-134102-178.1-176.7-106.3000108.9V89 A308 E309 Q312 H322 P326 I343V89-Y324 HydrophobicContact CG1-CD1 4.24Å; V89-Y324 HydrophobicContact CG1-CE1 3.7Å; A308-Y324 HydrophobicContact CB-CE2 4.16Å; A308-Y324 PolarHBondContact O-OH 3.2Å; E309-Y324 PolarHBondContact N-OH 3.45Å; E309-Y324 PolarHBondContact OE1-OH 2.88Å; Q312-Y324 HydrophobicContact CB-CE2 4.35Å; H322-Y324 PolarHBondContact O-N 2.99Å; Y324-P326 HydrophobicContact CD1-CG 3.95Å; Y324-P326 HydrophobicContact CD2-CG 4.38Å; Y324-P326 HydrophobicContact CE1-CG 3.37Å; Y324-P326 HydrophobicContact CE2-CG 3.84Å; Y324-P326 HydrophobicContact CG-CG 4.42Å; Y324-P326 WeakPolarHBondContact OH-CG 3.22Å; Y324-I343 HydrophobicContact CD2-CB 3.96Å; Y324-I343 HydrophobicContact CD2-CD1 4.27Å; Y324-I343 HydrophobicContact CD2-CG2 4.22Å; Y324-I343 HydrophobicContact CE2-CB 4.37Å; Y324-I343 HydrophobicContact CE2-CD1 4.46Å; Y324-I343 HydrophobicContact CE2-CG2 4.15Å
325V91.7Very high85.6Confident29 Ų2932.6 Ų32.618%0.17617%0.167CC..EExtended strand (participates in β ladder)trans-134.774.8-178-174.30000109V323 I327 L328 I343 M344 G345 L731V323-V325 HydrophobicContact CG1-CG2 3.78Å; V325-I327 WeakPolarHBondContact CG1-O 3.49Å; V325-I327 PolarHBondContact O-N 3.37Å; V325-I327 VanDerWaalsContact O-N 3.11Å; V325-L328 HydrophobicContact CG1-CD1 4.11Å; V325-I343 PolarHBondContact N-O 3.09Å; V325-M344 HydrophobicContact CB-CG 4.23Å; V325-M344 CarbonylContact O-C 3.6Å; V325-M344 WeakPolarHBondContact O-CA 3.42Å; V325-G345 PolarHBondContact O-N 2.65Å; V325-G345 VanDerWaalsContact O-N 3.08Å; V325-L731 HydrophobicContact CG2-CD1 4.26Å
326P93.8Very high84.8Confident2 Ų232.8 Ų32.81%0.01317%0.168CC..EExtended strand (participates in β ladder)trans-58.5-25.4-175.4-2938.5000114.9V89 M305 A308 Y324 G345V89-P326 HydrophobicContact CG1-CG 3.77Å; M305-P326 HydrophobicContact SD-CB 3.52Å; M305-P326 VanDerWaalsContact SD-CB 3.52Å; M305-P326 HydrophobicContact SD-CG 4.19Å; A308-P326 HydrophobicContact CB-CB 3.66Å; A308-P326 HydrophobicContact CB-CG 3.8Å; Y324-P326 HydrophobicContact CD1-CG 3.95Å; Y324-P326 HydrophobicContact CD2-CG 4.38Å; Y324-P326 HydrophobicContact CE1-CG 3.37Å; Y324-P326 HydrophobicContact CE2-CG 3.84Å; Y324-P326 HydrophobicContact CG-CG 4.42Å; Y324-P326 WeakPolarHBondContact OH-CG 3.22Å; P326-G345 WeakPolarHBondContact O-CA 3.42Å; P326-G345 PolarHBondContact O-N 3.03Å
327I93.7Very high83.9Confident6 Ų636 Ų363%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-122104.4171.6-62.8174.4000106.7L65 P68 T87 F88 L301 M305 V325 P329L65-I327 WeakPolarHBondContact CD2-O 3.16Å; P68-I327 HydrophobicContact CB-CG2 3.83Å; P68-I327 HydrophobicContact CG-CG2 3.87Å; T87-I327 WeakPolarHBondContact O-CD1 3.26Å; F88-I327 HydrophobicContact CB-CD1 4.4Å; L301-I327 HydrophobicContact CB-CD1 4.37Å; L301-I327 HydrophobicContact CD2-CD1 4.42Å; L301-I327 HydrophobicContact CD2-CG1 4.45Å; L301-I327 HydrophobicContact CD2-CG2 4.04Å; M305-I327 HydrophobicContact CG-CD1 3.81Å; M305-I327 HydrophobicContact CG-CG1 4.15Å; M305-I327 HydrophobicContact SD-CD1 3.94Å; M305-I327 HydrophobicContact SD-CG1 3.99Å; V325-I327 WeakPolarHBondContact CG1-O 3.49Å; V325-I327 PolarHBondContact O-N 3.37Å; V325-I327 VanDerWaalsContact O-N 3.11Å; I327-P329 WeakPolarHBondContact O-CD 3.44Å
328L89.6Confident82.8Confident5 Ų535.9 Ų35.93%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-85.6116.2173.4-171.765.3000108.9V325 Q332 L336 M344 G345V325-L328 HydrophobicContact CG1-CD1 4.11Å; L328-Q332 HydrophobicContact CD1-CB 3.69Å; L328-Q332 HydrophobicContact CG-CB 4.21Å; L328-L336 HydrophobicContact CD2-CD2 3.96Å; L328-L336 HydrophobicContact CD2-CG 4.07Å; L328-M344 HydrophobicContact CD1-SD 4.33Å; L328-M344 HydrophobicContact CD2-SD 4.26Å; L328-G345 WeakPolarHBondContact CB-O 3.35Å; L328-G345 PolarHBondContact N-O 3.11Å
329P82.9Confident81.6Confident4 Ų439.6 Ų39.63%0.02621%0.208CC..  trans-57.5147.8172.3-23.434.4000111.4L64 L65 I327 T331 Q332L64-P329 HydrophobicContact CB-CG 4.24Å; L65-P329 HydrophobicContact CD2-CG 4.39Å; I327-P329 WeakPolarHBondContact O-CD 3.44Å; P329-T331 PolarHBondContact O-N 2.99Å; P329-T331 VanDerWaalsContact O-N 3.17Å; P329-Q332 HydrophobicContact CB-CB 4.44Å; P329-Q332 HydrophobicContact CB-CG 4.32Å; P329-Q332 HydrophobicContact CG-CG 4.47Å; P329-Q332 WeakPolarHBondContact O-CA 3.49Å; P329-Q332 WeakPolarHBondContact O-CB 3.36Å; P329-Q332 PolarHBondContact O-N 3.49Å
330C74.8Confident81Confident40 Ų4037.3 Ų37.327%0.2720%0.201SC..G310 helixtrans-60.9-29.9-177.360.50000113.4P68 Q332 V333P68-C330 PolarHBondContact O-N 3.38Å; P68-C330 PolarHBondContact O-SG 2.96Å; P68-C330 VanDerWaalsContact O-SG 3.42Å; C330-Q332 PolarHBondContact O-N 2.98Å; C330-Q332 VanDerWaalsContact O-N 3.16Å; C330-V333 VanDerWaalsContact O-CG2 3.29Å; C330-V333 WeakPolarHBondContact O-CG2 3.47Å
331T67.4Low80.7Confident75 Ų7537.9 Ų37.946%0.4621%0.207SC..G310 helixtrans-67.8-11.117654.50000113.4P329P329-T331 PolarHBondContact O-N 2.99Å; P329-T331 VanDerWaalsContact O-N 3.17Å
332Q74.7Confident81Confident27 Ų2736.2 Ų36.213%0.12620%0.199CC..G310 helixtrans-11311.7-172.1-69.9-165.2-10.800112.9L328 P329 C330 L334 F335 L731L328-Q332 HydrophobicContact CD1-CB 3.69Å; L328-Q332 HydrophobicContact CG-CB 4.21Å; P329-Q332 HydrophobicContact CB-CB 4.44Å; P329-Q332 HydrophobicContact CB-CG 4.32Å; P329-Q332 HydrophobicContact CG-CG 4.47Å; P329-Q332 WeakPolarHBondContact O-CA 3.49Å; P329-Q332 WeakPolarHBondContact O-CB 3.36Å; P329-Q332 PolarHBondContact O-N 3.49Å; C330-Q332 PolarHBondContact O-N 2.98Å; C330-Q332 VanDerWaalsContact O-N 3.16Å; Q332-L334 PolarHBondContact O-N 3.13Å; Q332-L334 VanDerWaalsContact O-N 3.16Å; Q332-F335 HydrophobicContact CB-CD2 3.68Å; Q332-F335 HydrophobicContact CB-CE2 3.97Å; Q332-F335 HydrophobicContact CG-CD2 4.12Å; Q332-F335 HydrophobicContact CG-CE2 3.87Å; Q332-F335 WeakPolarHBondContact O-CB 3.44Å; Q332-F335 WeakPolarHBondContact O-CD2 3.19Å; Q332-F335 PolarHBondContact O-N 2.68Å; Q332-L731 PolarHBondContact NE2-O 2.9Å
333V74Confident81.3Confident38 Ų3833.7 Ų33.723%0.2319%0.187CC..G310 helixtrans-60.2-28.7-178.2172.60000113.3C330 F335 L336 L346C330-V333 VanDerWaalsContact O-CG2 3.29Å; C330-V333 WeakPolarHBondContact O-CG2 3.47Å; V333-F335 PolarHBondContact O-N 3.36Å; V333-F335 VanDerWaalsContact O-N 3.1Å; V333-L336 HydrophobicContact CG1-CD1 4.09Å; V333-L336 WeakPolarHBondContact O-CB 3.31Å; V333-L336 VanDerWaalsContact O-CG 3.3Å; V333-L336 WeakPolarHBondContact O-CG 3.26Å; V333-L336 PolarHBondContact O-N 2.78Å; V333-L336 VanDerWaalsContact O-N 3.09Å; V333-L346 HydrophobicContact CG2-CD1 4.01Å
334L70.3Confident81.8Confident138 Ų13832 Ų3272%0.72318%0.177SC*.G310 helixtrans-60.2-20.5176.2-68173.7000113.6Q332 L336 E337Q332-L334 PolarHBondContact O-N 3.13Å; Q332-L334 VanDerWaalsContact O-N 3.16Å; L334-L336 PolarHBondContact O-N 3.26Å; L334-E337 PolarHBondContact O-N 3.39Å
335F73.4Confident82Confident22 Ų2231.3 Ų31.310%0.09618%0.175CC..G310 helixtrans-69.5-13.7176.9-68.8-69000113.8Q332 V333 E337 A338 M344 L731 V736 F739Q332-F335 HydrophobicContact CB-CD2 3.68Å; Q332-F335 HydrophobicContact CB-CE2 3.97Å; Q332-F335 HydrophobicContact CG-CD2 4.12Å; Q332-F335 HydrophobicContact CG-CE2 3.87Å; Q332-F335 WeakPolarHBondContact O-CB 3.44Å; Q332-F335 WeakPolarHBondContact O-CD2 3.19Å; Q332-F335 PolarHBondContact O-N 2.68Å; V333-F335 PolarHBondContact O-N 3.36Å; V333-F335 VanDerWaalsContact O-N 3.1Å; F335-E337 PolarHBondContact O-N 2.68Å; F335-A338 VanDerWaalsContact O-CB 3.22Å; F335-A338 WeakPolarHBondContact O-CB 3.37Å; F335-A338 PolarHBondContact O-N 3.03Å; F335-A338 VanDerWaalsContact O-N 3.08Å; F335-M344 HydrophobicContact CB-CE 4.32Å; F335-L731 HydrophobicContact CB-CD1 4.06Å; F335-L731 HydrophobicContact CD1-CB 4.44Å; F335-L731 HydrophobicContact CD1-CD1 4.09Å; F335-L731 HydrophobicContact CD1-CD2 3.91Å; F335-L731 HydrophobicContact CD1-CG 4.37Å; F335-L731 HydrophobicContact CD2-CB 4.07Å; F335-L731 HydrophobicContact CD2-CD1 3.69Å; F335-L731 HydrophobicContact CD2-CG 4.38Å; F335-L731 HydrophobicContact CE1-CB 4Å; F335-L731 HydrophobicContact CE1-CD1 4.48Å; F335-L731 HydrophobicContact CE1-CD2 3.91Å; F335-L731 HydrophobicContact CE1-CG 4.35Å; F335-L731 HydrophobicContact CE2-CB 3.6Å; F335-L731 HydrophobicContact CE2-CD1 4.13Å; F335-L731 HydrophobicContact CE2-CG 4.37Å; F335-L731 HydrophobicContact CG-CB 4.49Å; F335-L731 HydrophobicContact CG-CD1 3.68Å; F335-L731 HydrophobicContact CG-CD2 4.36Å; F335-L731 HydrophobicContact CG-CG 4.4Å; F335-L731 HydrophobicContact CZ-CB 3.57Å; F335-L731 HydrophobicContact CZ-CD2 4.38Å; F335-L731 HydrophobicContact CZ-CG 4.37Å; F335-V736 HydrophobicContact CE1-CG2 4.47Å; F335-V736 HydrophobicContact CZ-CG2 4.44Å; F335-F739 AromaticContact CD1-CE2 3.9Å; F335-F739 HydrophobicContact CD1-CE2 3.9Å; F335-F739 HydrophobicContact CD1-CZ 4.15Å; F335-F739 HydrophobicContact CE1-CD2 4.4Å; F335-F739 AromaticContact CE1-CE2 3.83Å; F335-F739 HydrophobicContact CE1-CE2 3.83Å
336L78.6Confident82.1Confident3 Ų330.5 Ų30.52%0.01617%0.169CC..G310 helixtrans-61-25.7172.1-64.8179.3000112.2L295 L328 V333 L334 A338 F342 M344 V356 L359 M361L295-L336 HydrophobicContact CD1-CD2 3.62Å; L295-L336 HydrophobicContact CD2-CD1 3.98Å; L295-L336 HydrophobicContact CD2-CD2 4Å; L295-L336 HydrophobicContact CG-CD2 4.34Å; L328-L336 HydrophobicContact CD2-CD2 3.96Å; L328-L336 HydrophobicContact CD2-CG 4.07Å; V333-L336 HydrophobicContact CG1-CD1 4.09Å; V333-L336 WeakPolarHBondContact O-CB 3.31Å; V333-L336 VanDerWaalsContact O-CG 3.3Å; V333-L336 WeakPolarHBondContact O-CG 3.26Å; V333-L336 PolarHBondContact O-N 2.78Å; V333-L336 VanDerWaalsContact O-N 3.09Å; L334-L336 PolarHBondContact O-N 3.26Å; L336-A338 PolarHBondContact O-N 3.11Å; L336-F342 HydrophobicContact CD2-CE2 4.27Å; L336-F342 HydrophobicContact CD2-CZ 4.23Å; L336-M344 HydrophobicContact CD2-CB 4.48Å; L336-M344 HydrophobicContact CD2-SD 3.93Å; L336-V356 HydrophobicContact CD1-CG2 3.9Å; L336-L359 HydrophobicContact CB-CD1 4.07Å; L336-M361 VanDerWaalsContact O-CE 3.26Å; L336-M361 WeakPolarHBondContact O-CE 3.4Å
337E75.9Confident82.1Confident81 Ų8131.4 Ų31.438%0.37918%0.175SC..G310 helixtrans-76.4-1.7177.7-60.9-177.7-176.600113.3L334 F335 R743L334-E337 PolarHBondContact O-N 3.39Å; F335-E337 PolarHBondContact O-N 2.68Å; E337-R743 PolarHBondContact O-NH2 2.85Å
338A72Confident81.8Confident5 Ų531.8 Ų31.84%0.04118%0.176CC..  trans-54.4144.7179.200000111.6Q293 F335 L336 F340 F342 F739Q293-A338 PolarHBondContact NE2-O 3.05Å; F335-A338 VanDerWaalsContact O-CB 3.22Å; F335-A338 WeakPolarHBondContact O-CB 3.37Å; F335-A338 PolarHBondContact O-N 3.03Å; F335-A338 VanDerWaalsContact O-N 3.08Å; L336-A338 PolarHBondContact O-N 3.11Å; A338-F340 HydrophobicContact CB-CD2 4.16Å; A338-F340 HydrophobicContact CB-CE1 4.22Å; A338-F340 HydrophobicContact CB-CE2 3.75Å; A338-F340 HydrophobicContact CB-CZ 3.84Å; A338-F340 PolarHBondContact O-N 3.4Å; A338-F342 HydrophobicContact CB-CD1 4.48Å; A338-F342 HydrophobicContact CB-CE1 4.44Å; A338-F739 HydrophobicContact CB-CE1 3.65Å; A338-F739 HydrophobicContact CB-CZ 4.12Å
339P69.8Low81.5Confident87 Ų8735.6 Ų35.657%0.56520%0.196SC*.SBendtrans-92.29.2-174.637.6-33.2000113.9R743P339-R743 VanDerWaalsContact CD-NH2 3.31Å
340F77.6Confident81.3Confident66 Ų6640 Ų4029%0.28922%0.22SC..SBendtrans-119.1163.4-17545.7-111.8000111.3Q293 V323 A338 F342 F739Q293-F340 WeakPolarHBondContact CG-O 3.27Å; Q293-F340 PolarHBondContact NE2-O 3.05Å; V323-F340 HydrophobicContact CB-CE2 4.3Å; V323-F340 HydrophobicContact CG2-CD2 4.19Å; V323-F340 HydrophobicContact CG2-CE2 3.52Å; V323-F340 HydrophobicContact CG2-CZ 4.26Å; A338-F340 HydrophobicContact CB-CD2 4.16Å; A338-F340 HydrophobicContact CB-CE1 4.22Å; A338-F340 HydrophobicContact CB-CE2 3.75Å; A338-F340 HydrophobicContact CB-CZ 3.84Å; A338-F340 PolarHBondContact O-N 3.4Å; F340-F342 WeakPolarHBondContact O-CD1 3.29Å; F340-F739 HydrophobicContact CD1-CE1 4.31Å; F340-F739 HydrophobicContact CE1-CD1 4.1Å; F340-F739 AromaticContact CE1-CE1 3.2Å; F340-F739 HydrophobicContact CE1-CE1 3.2Å; F340-F739 AromaticContact CE1-CZ 3.65Å; F340-F739 HydrophobicContact CE1-CZ 3.65Å; F340-F739 HydrophobicContact CE2-CE1 4.42Å; F340-F739 HydrophobicContact CE2-CZ 4.35Å; F340-F739 AromaticContact CZ-CE1 3.3Å; F340-F739 HydrophobicContact CZ-CE1 3.3Å; F340-F739 HydrophobicContact CZ-CE2 4.45Å; F340-F739 AromaticContact CZ-CZ 3.27Å; F340-F739 HydrophobicContact CZ-CZ 3.27Å
341P86.2Confident81.6Confident28 Ų2842.6 Ų42.618%0.18224%0.238CC..  trans-60.7145.8180-23.235.9000112E291 W320 H322E291-P341 HydrophobicContact CB-CB 4.18Å; E291-P341 HydrophobicContact CB-CG 4.09Å; E291-P341 WeakPolarHBondContact O-CB 3.17Å; E291-P341 WeakPolarHBondContact O-CG 3.19Å; W320-P341 HydrophobicContact CH2-CB 4.11Å; W320-P341 HydrophobicContact CZ2-CB 4.21Å; H322-P341 HydrophobicContact CB-CB 4.07Å; H322-P341 VanDerWaalsContact CB-O 3.29Å; H322-P341 WeakPolarHBondContact CB-O 3.45Å
342F91.6Very high82.5Confident0 Ų039.7 Ų39.70%022%0.219CC..EExtended strand (participates in β ladder)trans-156.4157.8173.857.6-109.8000110.9Q293 V294 V323 L336 A338 F340 M344 M361Q293-F342 HydrophobicContact CB-CD1 4.35Å; Q293-F342 HydrophobicContact CB-CD2 4.46Å; Q293-F342 HydrophobicContact CB-CE1 4.01Å; Q293-F342 HydrophobicContact CB-CE2 4.12Å; Q293-F342 HydrophobicContact CB-CZ 3.91Å; Q293-F342 HydrophobicContact CG-CD1 3.83Å; Q293-F342 HydrophobicContact CG-CE1 3.64Å; Q293-F342 HydrophobicContact CG-CG 4.42Å; Q293-F342 HydrophobicContact CG-CZ 4.08Å; V294-F342 PolarHBondContact N-O 3.41Å; V323-F342 HydrophobicContact CB-CB 3.95Å; V323-F342 HydrophobicContact CG1-CB 4.31Å; V323-F342 VanDerWaalsContact O-CA 3.29Å; V323-F342 WeakPolarHBondContact O-CA 3.14Å; L336-F342 HydrophobicContact CD2-CE2 4.27Å; L336-F342 HydrophobicContact CD2-CZ 4.23Å; A338-F342 HydrophobicContact CB-CD1 4.48Å; A338-F342 HydrophobicContact CB-CE1 4.44Å; F340-F342 WeakPolarHBondContact O-CD1 3.29Å; F342-M344 HydrophobicContact CB-CE 4Å; F342-M344 HydrophobicContact CB-CG 4.19Å; F342-M344 HydrophobicContact CD1-CE 4.16Å; F342-M344 HydrophobicContact CD2-CB 3.88Å; F342-M344 HydrophobicContact CD2-CE 4.27Å; F342-M344 HydrophobicContact CD2-CG 3.48Å; F342-M344 VanDerWaalsContact CD2-CG 3.48Å; F342-M344 HydrophobicContact CD2-SD 3.85Å; F342-M344 HydrophobicContact CE2-CB 4.11Å; F342-M344 HydrophobicContact CE2-CG 4.02Å; F342-M344 HydrophobicContact CE2-SD 4Å; F342-M344 HydrophobicContact CG-CE 3.91Å; F342-M344 HydrophobicContact CG-CG 4Å; F342-M344 HydrophobicContact CG-SD 4.11Å; F342-M344 HydrophobicContact CZ-SD 4.38Å; F342-M361 HydrophobicContact CE1-CE 4.26Å; F342-M361 HydrophobicContact CE2-CE 4.4Å; F342-M361 HydrophobicContact CZ-CE 3.51Å; F342-M361 HydrophobicContact CZ-SD 4.17Å
343I94.7Very high82.7Confident0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-114.2113.8160.8-60.5170000106.4I288 V294 F296 A308 W320 V323 Y324 V325I288-I343 HydrophobicContact CD1-CD1 4.26Å; I288-I343 HydrophobicContact CG1-CD1 4.38Å; I288-I343 HydrophobicContact CG2-CD1 3.97Å; V294-I343 WeakPolarHBondContact O-CA 3.45Å; F296-I343 HydrophobicContact CD2-CG2 4.06Å; F296-I343 HydrophobicContact CE2-CG2 3.78Å; A308-I343 HydrophobicContact CB-CG2 4.27Å; W320-I343 HydrophobicContact CD2-CD1 3.82Å; W320-I343 HydrophobicContact CD2-CG1 4.31Å; W320-I343 HydrophobicContact CE3-CD1 4.08Å; W320-I343 HydrophobicContact CG-CD1 4.26Å; W320-I343 HydrophobicContact CH2-CD1 4.46Å; W320-I343 HydrophobicContact CH2-CG1 4.15Å; W320-I343 HydrophobicContact CZ2-CD1 4.23Å; W320-I343 HydrophobicContact CZ2-CG1 3.79Å; W320-I343 HydrophobicContact CZ3-CD1 4.39Å; V323-I343 PolarHBondContact O-N 2.76Å; Y324-I343 HydrophobicContact CD2-CB 3.96Å; Y324-I343 HydrophobicContact CD2-CD1 4.27Å; Y324-I343 HydrophobicContact CD2-CG2 4.22Å; Y324-I343 HydrophobicContact CE2-CB 4.37Å; Y324-I343 HydrophobicContact CE2-CD1 4.46Å; Y324-I343 HydrophobicContact CE2-CG2 4.15Å; V325-I343 PolarHBondContact N-O 3.09Å
344M94.5Very high82.8Confident1 Ų146.9 Ų46.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-125.5158.3178.8-68.5-174.7-177.800110.9V294 L295 F296 V323 V325 L328 F335 L336 F342 L731V294-M344 PolarHBondContact O-N 3.38Å; L295-M344 WeakPolarHBondContact CA-O 3.28Å; L295-M344 HydrophobicContact CD1-CB 3.89Å; F296-M344 PolarHBondContact N-O 3Å; V323-M344 HydrophobicContact CG1-CE 3.7Å; V325-M344 HydrophobicContact CB-CG 4.23Å; V325-M344 CarbonylContact O-C 3.6Å; V325-M344 WeakPolarHBondContact O-CA 3.42Å; L328-M344 HydrophobicContact CD1-SD 4.33Å; L328-M344 HydrophobicContact CD2-SD 4.26Å; F335-M344 HydrophobicContact CB-CE 4.32Å; L336-M344 HydrophobicContact CD2-CB 4.48Å; L336-M344 HydrophobicContact CD2-SD 3.93Å; F342-M344 HydrophobicContact CB-CE 4Å; F342-M344 HydrophobicContact CB-CG 4.19Å; F342-M344 HydrophobicContact CD1-CE 4.16Å; F342-M344 HydrophobicContact CD2-CB 3.88Å; F342-M344 HydrophobicContact CD2-CE 4.27Å; F342-M344 HydrophobicContact CD2-CG 3.48Å; F342-M344 VanDerWaalsContact CD2-CG 3.48Å; F342-M344 HydrophobicContact CD2-SD 3.85Å; F342-M344 HydrophobicContact CE2-CB 4.11Å; F342-M344 HydrophobicContact CE2-CG 4.02Å; F342-M344 HydrophobicContact CE2-SD 4Å; F342-M344 HydrophobicContact CG-CE 3.91Å; F342-M344 HydrophobicContact CG-CG 4Å; F342-M344 HydrophobicContact CG-SD 4.11Å; F342-M344 HydrophobicContact CZ-SD 4.38Å; M344-L731 HydrophobicContact CE-CD1 4.46Å
345G95.2Very high82.9Confident1 Ų143.8 Ų43.81%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-129.3131.2170.900000113.3F296 V325 P326 L328F296-G345 CarbonylContact O-C 3.6Å; F296-G345 WeakPolarHBondContact O-CA 3.22Å; V325-G345 PolarHBondContact O-N 2.65Å; V325-G345 VanDerWaalsContact O-N 3.08Å; P326-G345 WeakPolarHBondContact O-CA 3.42Å; P326-G345 PolarHBondContact O-N 3.03Å; L328-G345 WeakPolarHBondContact CB-O 3.35Å; L328-G345 PolarHBondContact N-O 3.11Å
346L93.2Very high83.1Confident12 Ų1242.8 Ų42.86%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-108.6120178.9179.366.5000110.3L295 F296 C297 S298 V333 Y348 P353L295-L346 HydrophobicContact CD1-CB 4.01Å; F296-L346 PolarHBondContact O-N 2.86Å; C297-L346 WeakPolarHBondContact CA-O 3.18Å; S298-L346 PolarHBondContact N-O 3.45Å; V333-L346 HydrophobicContact CG2-CD1 4.01Å; L346-Y348 PolarHBondContact O-N 3.25Å; L346-P353 HydrophobicContact CD2-CG 4.37Å
347C93.1Very high83.2Confident20 Ų2045.6 Ų45.614%0.13525%0.246CC..EExtended strand (participates in β ladder)trans-88.998.7172.9-169.80000110.9K69 S298 L301 L304K69-C347 WeakPolarHBondContact CE-O 3.29Å; K69-C347 WeakPolarHBondContact CE-SG 3.15Å; K69-C347 PolarHBondContact NZ-O 3.06Å; K69-C347 PolarHBondContact NZ-SG 3.08Å; S298-C347 VanDerWaalsContact O-CA 3.25Å; S298-C347 WeakPolarHBondContact O-CA 3.03Å; L301-C347 HydrophobicContact CD2-CB 3.53Å; L304-C347 HydrophobicContact CD1-CB 3.99Å
348Y89.1Confident83.1Confident15 Ų1545.1 Ų45.16%0.05924%0.244CC..  trans-87.4159.517967.7-90000111.9K69 C297 S298 K299 L346 I352 D365K69-Y348 PolarHBondContact NZ-O 2.91Å; C297-Y348 HydrophobicContact CB-CD1 3.96Å; C297-Y348 HydrophobicContact CB-CE1 3.88Å; S298-Y348 PolarHBondContact O-N 3.43Å; K299-Y348 HydrophobicContact CD-CE2 4.18Å; K299-Y348 HydrophobicContact CG-CD2 4.02Å; K299-Y348 HydrophobicContact CG-CE2 3.69Å; L346-Y348 PolarHBondContact O-N 3.25Å; Y348-I352 HydrophobicContact CD1-CD1 4.47Å; Y348-I352 HydrophobicContact CD1-CG1 3.67Å; Y348-I352 HydrophobicContact CE1-CD1 4.17Å; Y348-I352 HydrophobicContact CE1-CG1 3.78Å; Y348-I352 HydrophobicContact CG-CG1 4.06Å; Y348-D365 PolarHBondContact OH-OD1 3.41Å; Y348-D365 PolarHBondContact OH-OD2 3Å
349D82.6Confident83.3Confident84 Ų8447 Ų4745%0.44925%0.253SS..SBendtrans-96.8-65.9175-76-48.1000110.9K69 K299K69-D349 IonicContact NZ-OD1 3.74Å; K69-D349 PolarHBondContact NZ-OD1 2.8Å; K69-D349 IonicContact NZ-OD2 2.65Å; K299-D349 WeakPolarHBondContact CD-O 3.48Å; K299-D349 WeakPolarHBondContact CE-O 3.35Å; K299-D349 PolarHBondContact NZ-O 3.29Å
350D78.5Confident83.9Confident96 Ų9646.6 Ų46.651%0.51325%0.247SC..SBendtrans-95.4-62-178.5-77.9-17.7000111.5K172 K299K172-D350 IonicContact NZ-OD2 3.81Å; K172-D350 PolarHBondContact NZ-OD2 2.88Å; K299-D350 PolarHBondContact NZ-O 3.21Å; K299-D350 VanDerWaalsContact NZ-O 3.16Å
351C82.1Confident84.4Confident96 Ų9643.7 Ų43.765%0.64923%0.234SC*.SBendtrans-137.5161.5-179.356.10000111.8
352I85.4Confident84.8Confident14 Ų1442.4 Ų42.47%0.07223%0.225CC..  trans-72.3132.6171.4-59.3165.5000108C297 Y348 E354 V356 F357 D365C297-I352 HydrophobicContact CB-CD1 3.41Å; C297-I352 VanDerWaalsContact CB-CD1 3.41Å; C297-I352 HydrophobicContact CB-CG1 3.8Å; Y348-I352 HydrophobicContact CD1-CD1 4.47Å; Y348-I352 HydrophobicContact CD1-CG1 3.67Å; Y348-I352 HydrophobicContact CE1-CD1 4.17Å; Y348-I352 HydrophobicContact CE1-CG1 3.78Å; Y348-I352 HydrophobicContact CG-CG1 4.06Å; I352-E354 PolarHBondContact O-N 3.43Å; I352-V356 HydrophobicContact CG2-CB 4.14Å; I352-V356 HydrophobicContact CG2-CG1 4.23Å; I352-V356 HydrophobicContact CG2-CG2 4.28Å; I352-F357 HydrophobicContact CB-CE2 3.99Å; I352-F357 HydrophobicContact CB-CZ 4.02Å; I352-F357 HydrophobicContact CD1-CZ 4.15Å; I352-F357 HydrophobicContact CG2-CE2 3.84Å; I352-F357 HydrophobicContact CG2-CZ 3.91Å; I352-D365 HydrophobicContact CD1-CB 3.87Å
353P80Confident85Confident50 Ų5042.6 Ų42.633%0.32523%0.227SC..  trans-56.2133.2178-25.635.1000112.6L346 N355 V356L346-P353 HydrophobicContact CD2-CG 4.37Å; P353-N355 VanDerWaalsContact C-N 3.27Å; P353-N355 WeakPolarHBondContact CB-OD1 3.35Å; P353-N355 PolarHBondContact O-N 3.44Å; P353-V356 HydrophobicContact CB-CG2 4.19Å; P353-V356 VanDerWaalsContact O-CB 3.27Å; P353-V356 WeakPolarHBondContact O-CB 3.38Å; P353-V356 WeakPolarHBondContact O-CG2 3.25Å; P353-V356 PolarHBondContact O-N 3.31Å; P353-V356 VanDerWaalsContact O-N 3.08Å
354E75.6Confident85.1Confident165 Ų16542.6 Ų42.677%0.77123%0.227SC*.G310 helixtrans-63.1-31.5-172.4-68.1-170.7167.400113.5I352 V356 F357I352-E354 PolarHBondContact O-N 3.43Å; E354-V356 PolarHBondContact O-N 2.86Å; E354-V356 VanDerWaalsContact O-N 3.13Å; E354-F357 PolarHBondContact O-N 3.3Å
355N72.8Confident85.2Confident74 Ų7443.2 Ų43.240%0.39623%0.23SC..G310 helixtrans-59.8-22.8176.664.4-56.8000113.1P353 F357 E358P353-N355 VanDerWaalsContact C-N 3.27Å; P353-N355 WeakPolarHBondContact CB-OD1 3.35Å; P353-N355 PolarHBondContact O-N 3.44Å; N355-F357 VanDerWaalsContact C-N 3.31Å; N355-F357 PolarHBondContact O-N 3.05Å; N355-E358 PolarHBondContact O-N 3.37Å
356V76.9Confident85.2Confident0 Ų043.2 Ų43.20%023%0.23CC..G310 helixtrans-64.5-37.5175.4174.70000111.3L295 L336 I352 P353 E354 E358 L359 V363L295-V356 HydrophobicContact CD2-CG1 3.36Å; L295-V356 HydrophobicContact CD2-CG2 4.44Å; L336-V356 HydrophobicContact CD1-CG2 3.9Å; I352-V356 HydrophobicContact CG2-CB 4.14Å; I352-V356 HydrophobicContact CG2-CG1 4.23Å; I352-V356 HydrophobicContact CG2-CG2 4.28Å; P353-V356 HydrophobicContact CB-CG2 4.19Å; P353-V356 VanDerWaalsContact O-CB 3.27Å; P353-V356 WeakPolarHBondContact O-CB 3.38Å; P353-V356 WeakPolarHBondContact O-CG2 3.25Å; P353-V356 PolarHBondContact O-N 3.31Å; P353-V356 VanDerWaalsContact O-N 3.08Å; E354-V356 PolarHBondContact O-N 2.86Å; E354-V356 VanDerWaalsContact O-N 3.13Å; V356-E358 PolarHBondContact O-N 3.27Å; V356-L359 PolarHBondContact O-N 2.95Å; V356-V363 HydrophobicContact CG1-CG1 4.17Å; V356-V363 HydrophobicContact CG1-CG2 3.85Å
357F79.4Confident85.3Confident62 Ų6244.5 Ų44.527%0.27224%0.237SC..G310 helixtrans-77.9-10.1-179.3-58.6-77.3000113.1I352 E354 N355 L359 V363 E372I352-F357 HydrophobicContact CB-CE2 3.99Å; I352-F357 HydrophobicContact CB-CZ 4.02Å; I352-F357 HydrophobicContact CD1-CZ 4.15Å; I352-F357 HydrophobicContact CG2-CE2 3.84Å; I352-F357 HydrophobicContact CG2-CZ 3.91Å; E354-F357 PolarHBondContact O-N 3.3Å; N355-F357 VanDerWaalsContact C-N 3.31Å; N355-F357 PolarHBondContact O-N 3.05Å; F357-L359 VanDerWaalsContact C-N 3.28Å; F357-V363 HydrophobicContact CD1-CB 4.49Å; F357-V363 HydrophobicContact CD1-CG1 4.39Å; F357-V363 HydrophobicContact CD1-CG2 4.49Å; F357-V363 HydrophobicContact CE1-CB 4.29Å; F357-V363 HydrophobicContact CE1-CG1 3.83Å; F357-V363 HydrophobicContact CZ-CG1 4.4Å; F357-E372 WeakPolarHBondContact CD1-OE2 3.3Å; F357-E372 WeakPolarHBondContact CE1-OE2 3.4Å
358E75.3Confident85.3Confident72 Ų7249.2 Ų49.234%0.33626%0.26SS..G310 helixtrans-80.9-13.4173-57.9-171.2155.300112.4N355 V356N355-E358 PolarHBondContact O-N 3.37Å; V356-E358 PolarHBondContact O-N 3.27Å
359L75.4Confident85.6Confident43 Ų4348.8 Ų48.823%0.22526%0.259CS..SBendtrans-89.5138.9-179.7-53171.7000110.4L336 V356 F357 M361L336-L359 HydrophobicContact CB-CD1 4.07Å; V356-L359 PolarHBondContact O-N 2.95Å; F357-L359 VanDerWaalsContact C-N 3.28Å; L359-M361 HydrophobicContact CB-CE 3.62Å; L359-M361 HydrophobicContact CB-CG 4.09Å; L359-M361 HydrophobicContact CB-SD 4.22Å; L359-M361 HydrophobicContact CD1-CE 3.53Å; L359-M361 HydrophobicContact CD1-SD 4.24Å; L359-M361 HydrophobicContact CG-CE 4.2Å; L359-M361 PolarHBondContact O-N 2.9Å
360N81.7Confident86Confident80 Ų8051 Ų5143%0.42826%0.261SS..SBendtrans-76.765179.6-17336.9000112.3P374 E375N360-P374 WeakPolarHBondContact OD1-CA 3.39Å; N360-P374 WeakPolarHBondContact OD1-CB 3.5Å; N360-E375 PolarHBondContact OD1-N 2.8Å
361M89.2Confident86.8Confident5 Ų547.7 Ų47.73%0.02524%0.244CC..SBendtrans-130.7166-17863.8178.555.800112.2Q293 L295 L336 F342 L359 V363Q293-M361 HydrophobicContact CB-CB 3.53Å; L295-M361 HydrophobicContact CB-SD 4.2Å; L295-M361 HydrophobicContact CD2-SD 4.4Å; L336-M361 VanDerWaalsContact O-CE 3.26Å; L336-M361 WeakPolarHBondContact O-CE 3.4Å; F342-M361 HydrophobicContact CE1-CE 4.26Å; F342-M361 HydrophobicContact CE2-CE 4.4Å; F342-M361 HydrophobicContact CZ-CE 3.51Å; F342-M361 HydrophobicContact CZ-SD 4.17Å; L359-M361 HydrophobicContact CB-CE 3.62Å; L359-M361 HydrophobicContact CB-CG 4.09Å; L359-M361 HydrophobicContact CB-SD 4.22Å; L359-M361 HydrophobicContact CD1-CE 3.53Å; L359-M361 HydrophobicContact CD1-SD 4.24Å; L359-M361 HydrophobicContact CG-CE 4.2Å; L359-M361 PolarHBondContact O-N 2.9Å; M361-V363 HydrophobicContact CG-CG2 3.87Å; M361-V363 PolarHBondContact O-N 3.1Å; M361-V363 HydrophobicContact SD-CG2 4.46Å
362C94.3Very high87.3Confident0 Ų046.4 Ų46.40%023%0.228CC..EExtended strand (participates in β ladder)trans-84107.5173.5-174.70000109.8C287 Q293 V294 L295 E372 P374C287-C362 HydrophobicContact CB-CB 4.02Å; C287-C362 VanDerWaalsContact SG-SG 3.65Å; Q293-C362 WeakPolarHBondContact O-CB 3.37Å; Q293-C362 PolarHBondContact O-N 2.86Å; V294-C362 WeakPolarHBondContact CA-O 3.48Å; V294-C362 HydrophobicContact CG2-CB 4.08Å; L295-C362 PolarHBondContact N-O 3.37Å; C362-E372 CarbonylContact C-O 3.59Å; C362-E372 VanDerWaalsContact CA-O 3.28Å; C362-E372 WeakPolarHBondContact CA-O 3.19Å; C362-P374 HydrophobicContact CB-CG 4.5Å
363V96Very high87.5Confident5 Ų549 Ų493%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-100.7124.1179.1-173.90000109.2V356 F357 M361 V371 E372V356-V363 HydrophobicContact CG1-CG1 4.17Å; V356-V363 HydrophobicContact CG1-CG2 3.85Å; F357-V363 HydrophobicContact CD1-CB 4.49Å; F357-V363 HydrophobicContact CD1-CG1 4.39Å; F357-V363 HydrophobicContact CD1-CG2 4.49Å; F357-V363 HydrophobicContact CE1-CB 4.29Å; F357-V363 HydrophobicContact CE1-CG1 3.83Å; F357-V363 HydrophobicContact CZ-CG1 4.4Å; M361-V363 HydrophobicContact CG-CG2 3.87Å; M361-V363 PolarHBondContact O-N 3.1Å; M361-V363 HydrophobicContact SD-CG2 4.46Å; V363-V371 WeakPolarHBondContact O-CA 3.45Å; V363-E372 HydrophobicContact CB-CB 4.35Å; V363-E372 PolarHBondContact N-O 2.95Å; V363-E372 PolarHBondContact O-N 2.81Å
364V96.7Very high87.8Confident0 Ų047.3 Ų47.30%023%0.231CC..EExtended strand (participates in β ladder)trans-119.3100.3-174.6-175.60000109.3I276 V284 V294 L295 F296 C297 I366 V371I276-V364 HydrophobicContact CD1-CG1 4.37Å; V284-V364 HydrophobicContact CG1-CG2 4.37Å; V284-V364 HydrophobicContact CG2-CB 4.4Å; V284-V364 HydrophobicContact CG2-CG1 4.06Å; V284-V364 HydrophobicContact CG2-CG2 3.42Å; V284-V364 VanDerWaalsContact CG2-CG2 3.42Å; V294-V364 HydrophobicContact CG1-CG2 4.32Å; L295-V364 PolarHBondContact O-N 3.16Å; F296-V364 HydrophobicContact CD1-CB 3.82Å; F296-V364 HydrophobicContact CD1-CG1 3.88Å; F296-V364 HydrophobicContact CD1-CG2 4.24Å; F296-V364 HydrophobicContact CE1-CB 4.19Å; F296-V364 HydrophobicContact CE1-CG1 4.08Å; F296-V364 HydrophobicContact CE1-CG2 4.18Å; C297-V364 PolarHBondContact N-O 3.29Å; V364-I366 HydrophobicContact CG1-CG1 4.2Å; V364-I366 PolarHBondContact O-N 3.4Å; V364-V371 HydrophobicContact CG1-CG2 4.18Å; V364-V371 HydrophobicContact CG2-CG1 4.45Å; V364-V371 HydrophobicContact CG2-CG2 4.43Å
365D96.2Very high87.9Confident14 Ų1443.6 Ų43.68%0.07521%0.213CC..EExtended strand (participates in β ladder)trans-80.7100.6167.4-167.9-17.1000109.2Y348 I352 D367 L368 D369 R370Y348-D365 PolarHBondContact OH-OD1 3.41Å; Y348-D365 PolarHBondContact OH-OD2 3Å; I352-D365 HydrophobicContact CD1-CB 3.87Å; D365-D367 VanDerWaalsContact C-N 3.34Å; D365-D367 PolarHBondContact OD1-N 2.88Å; D365-L368 HydrophobicContact CB-CB 4.36Å; D365-L368 PolarHBondContact O-N 2.7Å; D365-L368 PolarHBondContact OD1-N 3.43Å; D365-L368 VanDerWaalsContact OD2-CD1 3.27Å; D365-L368 WeakPolarHBondContact OD2-CD1 3.5Å; D365-L368 WeakPolarHBondContact OD2-CG 3.38Å; D365-D369 PolarHBondContact O-N 2.72Å; D365-R370 HydrophobicContact CB-CB 4.22Å; D365-R370 PolarHBondContact N-O 3.01Å; D365-R370 PolarHBondContact O-N 3.24Å; D365-R370 VanDerWaalsContact O-N 3.15Å
366I95.9Very high88Confident1 Ų147.7 Ų47.71%0.00523%0.23CC..THydrogen-bonded Turntrans-64.8-42.2-176-64.5169.9000110.3F296 C297 L304 F307 V364 L368 D369F296-I366 HydrophobicContact CB-CD1 4Å; F296-I366 HydrophobicContact CD1-CD1 4.02Å; F296-I366 HydrophobicContact CD1-CG1 4.26Å; F296-I366 HydrophobicContact CG-CD1 4.35Å; C297-I366 PolarHBondContact O-N 3.45Å; L304-I366 HydrophobicContact CD2-CD1 4.26Å; F307-I366 HydrophobicContact CB-CD1 3.9Å; F307-I366 HydrophobicContact CD1-CD1 3.85Å; F307-I366 HydrophobicContact CD1-CG1 3.87Å; F307-I366 HydrophobicContact CD2-CD1 3.88Å; F307-I366 HydrophobicContact CD2-CG1 4.43Å; F307-I366 HydrophobicContact CD2-CG2 4.1Å; F307-I366 HydrophobicContact CE1-CD1 4.38Å; F307-I366 HydrophobicContact CE1-CG1 4Å; F307-I366 HydrophobicContact CE1-CG2 4.05Å; F307-I366 HydrophobicContact CE2-CD1 4.4Å; F307-I366 HydrophobicContact CE2-CG2 3.55Å; F307-I366 HydrophobicContact CG-CD1 3.59Å; F307-I366 HydrophobicContact CG-CG1 4.12Å; F307-I366 HydrophobicContact CZ-CB 4.5Å; F307-I366 HydrophobicContact CZ-CG1 4.34Å; F307-I366 HydrophobicContact CZ-CG2 3.53Å; V364-I366 HydrophobicContact CG1-CG1 4.2Å; V364-I366 PolarHBondContact O-N 3.4Å; I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 3.42Å; I366-D369 PolarHBondContact O-N 3.38Å
367D95.1Very high88.4Confident39 Ų3949.3 Ų49.321%0.20924%0.24CC..THydrogen-bonded Turntrans-69.2-30.6-174.1-65.4-48.4000111.4S298 K299 R303 D365S298-D367 WeakPolarHBondContact CA-OD2 3.46Å; S298-D367 PolarHBondContact OG-OD1 3Å; S298-D367 PolarHBondContact OG-OD2 3.21Å; K299-D367 PolarHBondContact N-OD2 3.24Å; R303-D367 IonicContact CZ-OD1 3.21Å; R303-D367 IonicContact NE-OD1 2.82Å; R303-D367 IonicContact NH1-OD1 3.7Å; R303-D367 PolarHBondContact NH1-OD1 3.36Å; D365-D367 VanDerWaalsContact C-N 3.34Å; D365-D367 PolarHBondContact OD1-N 2.88Å
368L93.6Very high88.9Confident119 Ų11947.7 Ų47.762%0.62324%0.236SC*.THydrogen-bonded Turntrans-101.1-0.8-179.7-59.4-173.6000115.2D365 I366 R370D365-L368 HydrophobicContact CB-CB 4.36Å; D365-L368 PolarHBondContact O-N 2.7Å; D365-L368 PolarHBondContact OD1-N 3.43Å; D365-L368 VanDerWaalsContact OD2-CD1 3.27Å; D365-L368 WeakPolarHBondContact OD2-CD1 3.5Å; D365-L368 WeakPolarHBondContact OD2-CG 3.38Å; I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 3.42Å; L368-R370 PolarHBondContact O-N 3.16Å
369D94.2Very high89.3Confident6 Ų650.9 Ų50.93%0.03225%0.254CS..THydrogen-bonded Turntrans48.347-172-178.134.6000112.1I276 S277 S280 D365 I366I276-D369 WeakPolarHBondContact CG1-OD1 3.29Å; S277-D369 VanDerWaalsContact CB-OD2 3.26Å; S277-D369 WeakPolarHBondContact CB-OD2 3.45Å; S277-D369 PolarHBondContact N-OD1 3.47Å; S277-D369 PolarHBondContact N-OD2 3.32Å; S277-D369 PolarHBondContact OG-OD1 2.88Å; S277-D369 PolarHBondContact OG-OD2 3.39Å; S280-D369 WeakPolarHBondContact CB-OD1 3.02Å; S280-D369 PolarHBondContact OG-OD1 3.36Å; D365-D369 PolarHBondContact O-N 2.72Å; I366-D369 PolarHBondContact O-N 3.38Å
370R92.6Very high89.9Confident131 Ų13149.6 Ų49.649%0.49425%0.248SC..EExtended strand (participates in β ladder)trans-114119.7176.7179.9-177.1169.2-175.8-4.9109.4D365 L368 E372D365-R370 HydrophobicContact CB-CB 4.22Å; D365-R370 PolarHBondContact N-O 3.01Å; D365-R370 PolarHBondContact O-N 3.24Å; D365-R370 VanDerWaalsContact O-N 3.15Å; L368-R370 PolarHBondContact O-N 3.16Å; R370-E372 IonicContact CZ-OE2 3.41Å; R370-E372 IonicContact NE-OE2 3.67Å; R370-E372 IonicContact NH2-OE2 3.4Å; R370-E372 PolarHBondContact NH2-OE2 3.29Å
371V94.1Very high90Very high25 Ų2546.3 Ų46.315%0.15223%0.231CC..EExtended strand (participates in β ladder)trans-114.6119.3173.8-179.90000108.5I276 K283 V284 V363 V364 L373I276-V371 HydrophobicContact CD1-CG2 4.5Å; K283-V371 HydrophobicContact CB-CG1 4.17Å; V284-V371 HydrophobicContact CG2-CG1 4.17Å; V284-V371 HydrophobicContact CG2-CG2 3.9Å; V363-V371 WeakPolarHBondContact O-CA 3.45Å; V364-V371 HydrophobicContact CG1-CG2 4.18Å; V364-V371 HydrophobicContact CG2-CG1 4.45Å; V364-V371 HydrophobicContact CG2-CG2 4.43Å; V371-L373 HydrophobicContact CG1-CD2 4.05Å; V371-L373 HydrophobicContact CG1-CG 4.32Å
372E92.6Very high89.6Confident70 Ų7048.9 Ų48.933%0.32724%0.244SC..EExtended strand (participates in β ladder)trans-102.7115.3172.2-162.8155171.200108.1F357 C362 V363 R370F357-E372 WeakPolarHBondContact CD1-OE2 3.3Å; F357-E372 WeakPolarHBondContact CE1-OE2 3.4Å; C362-E372 CarbonylContact C-O 3.59Å; C362-E372 VanDerWaalsContact CA-O 3.28Å; C362-E372 WeakPolarHBondContact CA-O 3.19Å; V363-E372 HydrophobicContact CB-CB 4.35Å; V363-E372 PolarHBondContact N-O 2.95Å; V363-E372 PolarHBondContact O-N 2.81Å; R370-E372 IonicContact CZ-OE2 3.41Å; R370-E372 IonicContact NE-OE2 3.67Å; R370-E372 IonicContact NH2-OE2 3.4Å; R370-E372 PolarHBondContact NH2-OE2 3.29Å
373L90.3Very high89.1Confident69 Ų6952 Ų5236%0.36126%0.256SS..PPolyproline II helixtrans-89.1146.6-174.5-72.1174.8000110.8K283 C287 V371K283-L373 HydrophobicContact CB-CD1 4.46Å; K283-L373 HydrophobicContact CB-CD2 4.09Å; K283-L373 HydrophobicContact CD-CD1 4.05Å; K283-L373 HydrophobicContact CG-CD1 4.04Å; C287-L373 WeakPolarHBondContact SG-CD2 3.42Å; V371-L373 HydrophobicContact CG1-CD2 4.05Å; V371-L373 HydrophobicContact CG1-CG 4.32Å
374P86.4Confident88.5Confident13 Ų1355.5 Ų55.58%0.08429%0.286CS..PPolyproline II helixtrans-68.3167.1167.729.8-31.5000110.6N360 C362 V377N360-P374 WeakPolarHBondContact OD1-CA 3.39Å; N360-P374 WeakPolarHBondContact OD1-CB 3.5Å; C362-P374 HydrophobicContact CB-CG 4.5Å; P374-V377 HydrophobicContact CG-CG2 3.61Å; P374-V377 WeakPolarHBondContact O-CG2 3.03Å
375E76.6Confident87.8Confident87 Ų8758.3 Ų58.341%0.40730%0.299SS..THydrogen-bonded Turntrans-62.3147176.5-64.8178.4174.600111.7N360 V377 K807N360-E375 PolarHBondContact OD1-N 2.8Å; E375-V377 PolarHBondContact O-N 3.22Å; E375-K807 WeakPolarHBondContact OE2-CB 3.44Å
376E74.7Confident87.2Confident160 Ų16057.8 Ų57.875%0.74830%0.296SS*.THydrogen-bonded Turntrans63.136.2170.5-53.2180159.700116.1P378E376-P378 VanDerWaalsContact O-CD 3.25Å; E376-P378 WeakPolarHBondContact O-CD 3.16Å
377V86.8Confident86.7Confident34 Ų3459.9 Ų59.921%0.20631%0.307CS..  trans-82.9112.5171.8-177.40000110.5T286 L290 P374 E375T286-V377 HydrophobicContact CG2-CG1 3.88Å; L290-V377 HydrophobicContact CD1-CG1 4.32Å; P374-V377 HydrophobicContact CG-CG2 3.61Å; P374-V377 WeakPolarHBondContact O-CG2 3.03Å; E375-V377 PolarHBondContact O-N 3.22Å
378P88.4Confident86.1Confident28 Ų2861.4 Ų61.418%0.18232%0.32CS..PPolyproline II helixtrans-67.5154.6174.229.5-34.8000111T286 L290 E376 P571 F572T286-P378 VanDerWaalsContact CG2-O 3.31Å; T286-P378 WeakPolarHBondContact CG2-O 3.27Å; L290-P378 HydrophobicContact CD1-CG 3.63Å; E376-P378 VanDerWaalsContact O-CD 3.25Å; E376-P378 WeakPolarHBondContact O-CD 3.16Å; P378-P571 HydrophobicContact CB-CB 4.29Å; P378-F572 HydrophobicContact CB-CB 4.47Å; P378-F572 HydrophobicContact CG-CB 4.48Å
379L85.5Confident85.4Confident139 Ų13956 Ų5673%0.72829%0.292SS*.PPolyproline II helixtrans-74.1146.2177.6-68.2169.6000111.4
380L87.6Confident84.7Confident17 Ų1755.9 Ų55.99%0.08929%0.291CS..PPolyproline II helixtrans-62.5134.8174-165.571.9000111.2L282 Y285 L289 R383 L386 F572L282-L380 HydrophobicContact CD2-CD2 4.14Å; Y285-L380 HydrophobicContact CD1-CD2 4.27Å; L289-L380 HydrophobicContact CD1-CD1 4.07Å; L380-R383 WeakPolarHBondContact O-CB 3.5Å; L380-R383 PolarHBondContact O-N 2.88Å; L380-L386 HydrophobicContact CD2-CD2 3.5Å; L380-L386 VanDerWaalsContact CD2-CD2 3.5Å; L380-F572 HydrophobicContact CD1-CD2 4.39Å; L380-F572 HydrophobicContact CD1-CE1 4.37Å; L380-F572 HydrophobicContact CD1-CE2 3.76Å; L380-F572 HydrophobicContact CD1-CZ 3.75Å
381P83.6Confident84.1Confident10 Ų1052.7 Ų52.77%0.06529%0.287CS..THydrogen-bonded Turntrans-55140.5174.2-3138.5000113.4R383 R525 Q569 F572P381-R383 PolarHBondContact O-N 3.35Å; P381-R383 VanDerWaalsContact O-N 3.09Å; P381-R525 PolarHBondContact O-NH2 3.17Å; P381-Q569 HydrophobicContact CB-CB 4.05Å; P381-Q569 HydrophobicContact CB-CG 3.78Å; P381-Q569 HydrophobicContact CG-CB 4Å; P381-Q569 HydrophobicContact CG-CG 4.3Å; P381-F572 VanDerWaalsContact CD-CG 3.4Å; P381-F572 HydrophobicContact CG-CB 3.93Å; P381-F572 HydrophobicContact CG-CD1 3.48Å; P381-F572 VanDerWaalsContact CG-CD1 3.48Å; P381-F572 HydrophobicContact CG-CE1 4.23Å; P381-F572 HydrophobicContact CG-CG 3.84Å
382D80.9Confident83.2Confident59 Ų5954.4 Ų54.432%0.31629%0.293SS..THydrogen-bonded Turntrans38.643.9-177.3-33.5-42.1000114.2A384 E385 L386 R525 Q569D382-A384 VanDerWaalsContact C-N 3.25Å; D382-A384 PolarHBondContact O-N 2.94Å; D382-A384 VanDerWaalsContact O-N 3.17Å; D382-E385 HydrophobicContact CB-CB 4.07Å; D382-E385 WeakPolarHBondContact O-CB 3.17Å; D382-E385 PolarHBondContact O-N 2.79Å; D382-L386 PolarHBondContact O-N 3.16Å; D382-R525 IonicContact OD2-CZ 2.62Å; D382-R525 IonicContact OD2-NH1 3.95Å; D382-R525 PolarHBondContact OD2-NH1 3.14Å; D382-R525 IonicContact OD2-NH2 2.68Å; D382-R525 PolarHBondContact OD2-NH2 3.5Å; D382-Q569 PolarHBondContact OD1-NE2 2.89Å; D382-Q569 PolarHBondContact OD2-NE2 2.81Å
383R83.7Confident82.1Confident65 Ų6551.5 Ų51.525%0.24528%0.281CS..Hα-helixtrans-48.9-43.1179.6-174.4177.3-175-89.5-3.7114.1D279 L282 L380 P381 E385 L386 I387D279-R383 VanDerWaalsContact CA-NH2 3.29Å; D279-R383 VanDerWaalsContact CG-NH2 3.32Å; D279-R383 IonicContact OD1-CZ 3.45Å; D279-R383 IonicContact OD1-NH1 3.4Å; D279-R383 IonicContact OD1-NH2 3.7Å; D279-R383 PolarHBondContact OD1-NH2 3.3Å; L282-R383 HydrophobicContact CD1-CG 3.92Å; L380-R383 WeakPolarHBondContact O-CB 3.5Å; L380-R383 PolarHBondContact O-N 2.88Å; P381-R383 PolarHBondContact O-N 3.35Å; P381-R383 VanDerWaalsContact O-N 3.09Å; R383-E385 VanDerWaalsContact C-N 3.32Å; R383-E385 PolarHBondContact O-N 2.62Å; R383-L386 PolarHBondContact O-N 3.07Å; R383-I387 HydrophobicContact CG-CD1 4.09Å; R383-I387 VanDerWaalsContact O-CG1 3.23Å; R383-I387 WeakPolarHBondContact O-CG1 3.24Å; R383-I387 PolarHBondContact O-N 2.77Å
384A83.8Confident81.4Confident79 Ų7948.4 Ų48.465%0.65326%0.264SS*.Hα-helixtrans-64.6-39.2-17900000111.8D382 I387 S388D382-A384 VanDerWaalsContact C-N 3.25Å; D382-A384 PolarHBondContact O-N 2.94Å; D382-A384 VanDerWaalsContact O-N 3.17Å; A384-I387 PolarHBondContact O-N 2.63Å; A384-S388 PolarHBondContact O-N 2.74Å
385E81.9Confident80.7Confident60 Ų6050.8 Ų50.828%0.2828%0.28SS..Hα-helixtrans-66.3-45.2176-169.8-173.8-174.400110.7D382 R383 I387 S388 Q389 R525 C625D382-E385 HydrophobicContact CB-CB 4.07Å; D382-E385 WeakPolarHBondContact O-CB 3.17Å; D382-E385 PolarHBondContact O-N 2.79Å; R383-E385 VanDerWaalsContact C-N 3.32Å; R383-E385 PolarHBondContact O-N 2.62Å; E385-I387 VanDerWaalsContact C-N 3.31Å; E385-I387 PolarHBondContact O-N 2.61Å; E385-S388 CarbonylContact O-C 3.42Å; E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 2.89Å; E385-S388 VanDerWaalsContact O-N 3.09Å; E385-Q389 HydrophobicContact CG-CG 4.46Å; E385-Q389 WeakPolarHBondContact O-CG 3.4Å; E385-Q389 PolarHBondContact O-N 3.25Å; E385-Q389 PolarHBondContact OE1-NE2 2.94Å; E385-R525 IonicContact OE2-NH1 3.62Å; E385-R525 PolarHBondContact OE2-NH1 2.84Å; E385-C625 WeakPolarHBondContact OE1-CB 3.16Å
386L83.4Confident80.1Confident2 Ų249.5 Ų49.51%0.0127%0.274CS..Hα-helixtrans-60.5-40.2176.3-178.861.5000112L282 L380 D382 R383 S388 Q389 L390 V521 F522L282-L386 HydrophobicContact CD1-CD2 4.39Å; L282-L386 HydrophobicContact CD2-CD2 3.44Å; L282-L386 VanDerWaalsContact CD2-CD2 3.44Å; L282-L386 HydrophobicContact CD2-CG 4.22Å; L380-L386 HydrophobicContact CD2-CD2 3.5Å; L380-L386 VanDerWaalsContact CD2-CD2 3.5Å; D382-L386 PolarHBondContact O-N 3.16Å; R383-L386 PolarHBondContact O-N 3.07Å; L386-S388 VanDerWaalsContact C-N 3.34Å; L386-Q389 PolarHBondContact O-N 3.08Å; L386-L390 HydrophobicContact CD1-CD1 4.1Å; L386-L390 HydrophobicContact CD1-CG 4.08Å; L386-L390 HydrophobicContact CG-CD1 3.94Å; L386-L390 HydrophobicContact CG-CG 4.36Å; L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.39Å; L386-L390 VanDerWaalsContact O-CG 3.24Å; L386-L390 WeakPolarHBondContact O-CG 3.42Å; L386-L390 PolarHBondContact O-N 3.47Å; L386-V521 HydrophobicContact CD1-CG1 4.13Å; L386-F522 HydrophobicContact CD2-CE1 4.34Å
387I85.6Confident79.8Confident45 Ų4542.1 Ų42.123%0.23124%0.24CC..Hα-helixtrans-61.6-45.2174.4-67.3167.1000110.3V278 L282 R383 A384 E385 L390 T391V278-I387 HydrophobicContact CG1-CB 4.41Å; V278-I387 HydrophobicContact CG1-CG1 3.75Å; V278-I387 HydrophobicContact CG1-CG2 4.27Å; L282-I387 HydrophobicContact CD1-CD1 4.09Å; L282-I387 HydrophobicContact CD1-CG1 3.57Å; R383-I387 HydrophobicContact CG-CD1 4.09Å; R383-I387 VanDerWaalsContact O-CG1 3.23Å; R383-I387 WeakPolarHBondContact O-CG1 3.24Å; R383-I387 PolarHBondContact O-N 2.77Å; A384-I387 PolarHBondContact O-N 2.63Å; E385-I387 VanDerWaalsContact C-N 3.31Å; E385-I387 PolarHBondContact O-N 2.61Å; I387-L390 PolarHBondContact O-N 2.49Å; I387-T391 VanDerWaalsContact O-CB 3.32Å; I387-T391 WeakPolarHBondContact O-CB 3.29Å; I387-T391 PolarHBondContact O-N 3.46Å; I387-T391 PolarHBondContact O-OG1 2.77Å
388S82.6Confident78.9Confident71 Ų7142.3 Ų42.350%0.49724%0.243SC..Hα-helixtrans-61-49.8177.3-169.10000111.1A384 E385 L386 L390 T391 E392A384-S388 PolarHBondContact O-N 2.74Å; E385-S388 CarbonylContact O-C 3.42Å; E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 2.89Å; E385-S388 VanDerWaalsContact O-N 3.09Å; L386-S388 VanDerWaalsContact C-N 3.34Å; S388-L390 PolarHBondContact O-N 2.91Å; S388-T391 PolarHBondContact O-N 3.1Å; S388-E392 VanDerWaalsContact O-CB 3.28Å; S388-E392 WeakPolarHBondContact O-CB 3.41Å; S388-E392 PolarHBondContact O-N 3.19Å
389Q77.8Confident77.6Confident7 Ų747.9 Ų47.93%0.03327%0.267CS..Hα-helixtrans-61.3-43.9179.2-72.2178.98.200111.7E385 L386 S393 V521 C625E385-Q389 HydrophobicContact CG-CG 4.46Å; E385-Q389 WeakPolarHBondContact O-CG 3.4Å; E385-Q389 PolarHBondContact O-N 3.25Å; E385-Q389 PolarHBondContact OE1-NE2 2.94Å; L386-Q389 PolarHBondContact O-N 3.08Å; Q389-S393 WeakPolarHBondContact O-CA 3.49Å; Q389-S393 WeakPolarHBondContact O-CB 3.32Å; Q389-S393 PolarHBondContact O-N 3.31Å; Q389-S393 PolarHBondContact O-OG 3.14Å; Q389-V521 HydrophobicContact CB-CG1 4.36Å; Q389-C625 PolarHBondContact NE2-SG 3.39Å
390L80.6Confident76.1Confident2 Ų247.1 Ų47.11%0.0126%0.255CS..Hα-helixtrans-64.3-41.8176-74.5170.9000111.4L282 L386 I387 S388 S393 L394 F407 V521 F522L282-L390 HydrophobicContact CD2-CD1 4.42Å; L386-L390 HydrophobicContact CD1-CD1 4.1Å; L386-L390 HydrophobicContact CD1-CG 4.08Å; L386-L390 HydrophobicContact CG-CD1 3.94Å; L386-L390 HydrophobicContact CG-CG 4.36Å; L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.39Å; L386-L390 VanDerWaalsContact O-CG 3.24Å; L386-L390 WeakPolarHBondContact O-CG 3.42Å; L386-L390 PolarHBondContact O-N 3.47Å; I387-L390 PolarHBondContact O-N 2.49Å; S388-L390 PolarHBondContact O-N 2.91Å; L390-S393 WeakPolarHBondContact O-CB 3.36Å; L390-S393 PolarHBondContact O-N 2.95Å; L390-L394 WeakPolarHBondContact O-CB 3.32Å; L390-L394 WeakPolarHBondContact O-CG 3.23Å; L390-L394 PolarHBondContact O-N 2.9Å; L390-F407 HydrophobicContact CB-CE2 4.11Å; L390-F407 HydrophobicContact CD1-CZ 4.33Å; L390-V521 HydrophobicContact CD2-CG1 4.06Å; L390-V521 HydrophobicContact CG-CG1 4.46Å; L390-F522 HydrophobicContact CD1-CZ 4.09Å; L390-F522 HydrophobicContact CD2-CE2 3.74Å; L390-F522 HydrophobicContact CD2-CZ 4.14Å
391T79.7Confident74.8Confident65 Ų6546.4 Ų46.440%0.39925%0.252SS..Hα-helixtrans-66.9-46.4179.1-53.50000111.1I387 S388 S393 L394 C395I387-T391 VanDerWaalsContact O-CB 3.32Å; I387-T391 WeakPolarHBondContact O-CB 3.29Å; I387-T391 PolarHBondContact O-N 3.46Å; I387-T391 PolarHBondContact O-OG1 2.77Å; S388-T391 PolarHBondContact O-N 3.1Å; T391-S393 VanDerWaalsContact C-N 3.31Å; T391-S393 PolarHBondContact O-N 3.03Å; T391-L394 PolarHBondContact O-N 3.09Å; T391-C395 PolarHBondContact O-N 3.42Å; T391-C395 PolarHBondContact O-SG 2.86Å; T391-C395 VanDerWaalsContact O-SG 3.33Å
392E74.6Confident73.8Confident61 Ų6148.8 Ų48.829%0.28528%0.277SS..Hα-helixtrans-62.3-42.1175.7-164.6-169.5160.300110.8S388 L394 C395 H396S388-E392 VanDerWaalsContact O-CB 3.28Å; S388-E392 WeakPolarHBondContact O-CB 3.41Å; S388-E392 PolarHBondContact O-N 3.19Å; E392-L394 VanDerWaalsContact C-N 3.3Å; E392-L394 PolarHBondContact O-N 3.46Å; E392-C395 WeakPolarHBondContact O-CB 3.43Å; E392-C395 PolarHBondContact O-N 3.44Å; E392-C395 VanDerWaalsContact O-N 3.12Å; E392-H396 WeakPolarHBondContact CG-NE2 3.44Å; E392-H396 PolarHBondContact O-CD2 3.29Å; E392-H396 PolarHBondContact O-N 3.41Å; E392-H396 IonicContact OE1-CD2 2.73Å; E392-H396 IonicContact OE1-CE1 3.86Å; E392-H396 IonicContact OE1-NE2 2.72Å; E392-H396 PolarHBondContact OE1-NE2 3.04Å
393S70.1Confident73Confident9 Ų949.4 Ų49.46%0.06328%0.275CS..Hα-helixtrans-58.8-43.2176.1-73.80000111.9Q389 L390 T391 H396 S397 F517 V521Q389-S393 WeakPolarHBondContact O-CA 3.49Å; Q389-S393 WeakPolarHBondContact O-CB 3.32Å; Q389-S393 PolarHBondContact O-N 3.31Å; Q389-S393 PolarHBondContact O-OG 3.14Å; L390-S393 WeakPolarHBondContact O-CB 3.36Å; L390-S393 PolarHBondContact O-N 2.95Å; T391-S393 VanDerWaalsContact C-N 3.31Å; T391-S393 PolarHBondContact O-N 3.03Å; S393-H396 PolarHBondContact O-N 3.3Å; S393-S397 WeakPolarHBondContact O-CB 3.32Å; S393-S397 PolarHBondContact O-N 3.32Å; S393-F517 VanDerWaalsContact O-CE1 3.25Å; S393-F517 WeakPolarHBondContact O-CE1 3.29Å; S393-F517 WeakPolarHBondContact OG-CE1 3.21Å; S393-V521 WeakPolarHBondContact OG-CG2 3.49Å
394L75.4Confident72.2Confident3 Ų353.1 Ų53.12%0.01630%0.3CS..Hα-helixtrans-67.2-37.2175.6-71176.8000112.5L273 L390 T391 E392 S397 L405 F407 L514L273-L394 HydrophobicContact CD1-CD1 4.21Å; L273-L394 HydrophobicContact CD1-CD2 3.73Å; L273-L394 HydrophobicContact CD1-CG 4.45Å; L390-L394 WeakPolarHBondContact O-CB 3.32Å; L390-L394 WeakPolarHBondContact O-CG 3.23Å; L390-L394 PolarHBondContact O-N 2.9Å; T391-L394 PolarHBondContact O-N 3.09Å; E392-L394 VanDerWaalsContact C-N 3.3Å; E392-L394 PolarHBondContact O-N 3.46Å; L394-S397 WeakPolarHBondContact O-CB 3.37Å; L394-S397 PolarHBondContact O-N 3.37Å; L394-S397 PolarHBondContact O-OG 2.89Å; L394-L405 WeakPolarHBondContact CB-O 3.31Å; L394-L405 HydrophobicContact CD2-CB 4.31Å; L394-L405 HydrophobicContact CD2-CD2 3.82Å; L394-F407 HydrophobicContact CD1-CD2 3.39Å; L394-F407 HydrophobicContact CD1-CE2 3.42Å; L394-F407 VanDerWaalsContact CD1-CE2 3.42Å; L394-F407 HydrophobicContact CD1-CG 4.45Å; L394-F407 HydrophobicContact CD1-CZ 4.48Å; L394-L514 HydrophobicContact CD2-CD1 4Å
395C70.5Confident71.6Confident63 Ų6350.5 Ų50.543%0.42628%0.275SS..Hα-helixtrans-62.5-48.6172.6-69.20000111.9T391 E392 S397 S398T391-C395 PolarHBondContact O-N 3.42Å; T391-C395 PolarHBondContact O-SG 2.86Å; T391-C395 VanDerWaalsContact O-SG 3.33Å; E392-C395 WeakPolarHBondContact O-CB 3.43Å; E392-C395 PolarHBondContact O-N 3.44Å; E392-C395 VanDerWaalsContact O-N 3.12Å; C395-S397 VanDerWaalsContact C-N 3.26Å; C395-S397 PolarHBondContact O-N 3.08Å; C395-S398 WeakPolarHBondContact O-CB 3.39Å; C395-S398 PolarHBondContact O-N 3.43Å; C395-S398 PolarHBondContact O-OG 3.26Å
396H65.8Low71Confident60 Ų6051 Ų5128%0.27829%0.289SS..Hα-helixtrans-64-32.9176.2-72.6-55.5000111.8E392 S393 S398 E399 Y400E392-H396 WeakPolarHBondContact CG-NE2 3.44Å; E392-H396 PolarHBondContact O-CD2 3.29Å; E392-H396 PolarHBondContact O-N 3.41Å; E392-H396 IonicContact OE1-CD2 2.73Å; E392-H396 IonicContact OE1-CE1 3.86Å; E392-H396 IonicContact OE1-NE2 2.72Å; E392-H396 PolarHBondContact OE1-NE2 3.04Å; S393-H396 PolarHBondContact O-N 3.3Å; H396-S398 PolarHBondContact O-N 3.4Å; H396-E399 WeakPolarHBondContact O-CB 3.34Å; H396-E399 PolarHBondContact O-N 3.2Å; H396-Y400 WeakPolarHBondContact O-CD2 3.32Å
397S67Low70.8Confident5 Ų551.9 Ų51.94%0.03529%0.293CS..Hα-helixtrans-57.9-23.8174.8870000112.2S393 L394 C395 E399 Y400 T401S393-S397 WeakPolarHBondContact O-CB 3.32Å; S393-S397 PolarHBondContact O-N 3.32Å; L394-S397 WeakPolarHBondContact O-CB 3.37Å; L394-S397 PolarHBondContact O-N 3.37Å; L394-S397 PolarHBondContact O-OG 2.89Å; C395-S397 VanDerWaalsContact C-N 3.26Å; C395-S397 PolarHBondContact O-N 3.08Å; S397-E399 VanDerWaalsContact C-N 3.29Å; S397-E399 PolarHBondContact O-N 2.75Å; S397-Y400 PolarHBondContact O-N 2.98Å; S397-T401 VanDerWaalsContact O-CB 3.29Å; S397-T401 WeakPolarHBondContact O-CB 2.82Å; S397-T401 WeakPolarHBondContact O-CG2 3.38Å; S397-T401 PolarHBondContact O-N 3.25Å; S397-T401 PolarHBondContact O-OG1 3.26Å
398S68.3Low70.4Confident38 Ų3855 Ų5527%0.26630%0.302SS..Hα-helixtrans-63.6-31.6175.478.60000113.2C395 H396 Y400 G402 W403C395-S398 WeakPolarHBondContact O-CB 3.39Å; C395-S398 PolarHBondContact O-N 3.43Å; C395-S398 PolarHBondContact O-OG 3.26Å; H396-S398 PolarHBondContact O-N 3.4Å; S398-Y400 VanDerWaalsContact C-N 3.32Å; S398-Y400 PolarHBondContact O-N 3.14Å; S398-G402 WeakPolarHBondContact O-CA 3.25Å; S398-G402 PolarHBondContact O-N 3.49Å; S398-W403 WeakPolarHBondContact CA-O 3.42Å; S398-W403 WeakPolarHBondContact CB-O 3.41Å
399E61.3Low69.7Low146 Ų14660.1 Ų60.168%0.68232%0.318SS*.Hα-helixtrans-67-37.5177.7-60.8-170.7164.400111.2H396 S397H396-E399 WeakPolarHBondContact O-CB 3.34Å; H396-E399 PolarHBondContact O-N 3.2Å; S397-E399 VanDerWaalsContact C-N 3.29Å; S397-E399 PolarHBondContact O-N 2.75Å
400Y54.1Low68.6Low123 Ų12366.6 Ų66.648%0.48235%0.346SS..Hα-helixtrans-90.4-39-176.4-60-80.8000112.6H396 S397 S398 R513H396-Y400 WeakPolarHBondContact O-CD2 3.32Å; S397-Y400 PolarHBondContact O-N 2.98Å; S398-Y400 VanDerWaalsContact C-N 3.32Å; S398-Y400 PolarHBondContact O-N 3.14Å; Y400-R513 PolarHBondContact O-NH1 2.87Å
401T60.5Low66.9Low2 Ų273.8 Ų73.81%0.01239%0.385CS..Hα-helixtrans-96-24-175.567.80000113S397 W403 K510 L514S397-T401 VanDerWaalsContact O-CB 3.29Å; S397-T401 WeakPolarHBondContact O-CB 2.82Å; S397-T401 WeakPolarHBondContact O-CG2 3.38Å; S397-T401 PolarHBondContact O-N 3.25Å; S397-T401 PolarHBondContact O-OG1 3.26Å; T401-W403 PolarHBondContact O-N 2.65Å; T401-W403 WeakPolarHBondContact OG1-CB 3.33Å; T401-W403 PolarHBondContact OG1-N 2.89Å; T401-K510 HydrophobicContact CG2-CB 4.37Å; T401-K510 WeakPolarHBondContact O-CD 3.36Å; T401-K510 WeakPolarHBondContact O-CE 3.22Å; T401-K510 PolarHBondContact O-NZ 2.86Å; T401-L514 HydrophobicContact CG2-CB 4.2Å
402G61.8Low64.8Low59 Ų5974.5 Ų74.561%0.60841%0.405SS*.  trans72.39.2-167.100000113.9S398S398-G402 WeakPolarHBondContact O-CA 3.25Å; S398-G402 PolarHBondContact O-N 3.49Å
403W65.2Low62.6Low72 Ų7281 Ų8127%0.27343%0.432SS..  trans-99.8125174.7-67.8-19.9000111A270 S398 T401 L405 H511 L514A270-W403 HydrophobicContact CB-CZ3 4.22Å; S398-W403 WeakPolarHBondContact CA-O 3.42Å; S398-W403 WeakPolarHBondContact CB-O 3.41Å; T401-W403 PolarHBondContact O-N 2.65Å; T401-W403 WeakPolarHBondContact OG1-CB 3.33Å; T401-W403 PolarHBondContact OG1-N 2.89Å; W403-L405 PolarHBondContact O-N 3.26Å; W403-H511 AromaticContact CH2-CD2 3.71Å; W403-H511 AromaticContact CH2-CE1 3.25Å; W403-H511 WeakPolarHBondContact CH2-CE1 3.26Å; W403-H511 AromaticContact CH2-CG 3.82Å; W403-H511 AromaticContact CH2-ND1 3.54Å; W403-H511 AromaticContact CH2-NE2 3.35Å; W403-H511 VanDerWaalsContact CH2-NE2 3.35Å; W403-H511 WeakPolarHBondContact CH2-NE2 3.38Å; W403-H511 AromaticContact CZ3-CE1 3.55Å; W403-H511 AromaticContact CZ3-ND1 3.52Å; W403-L514 HydrophobicContact CE3-CD2 4.44Å
404N66.1Low60.7Low144 Ų14485.8 Ų85.877%0.7747%0.466SS*.  trans-83.676.4165.7-132.3-20.5000107.7
405L70.4Confident58.4Low23 Ų2392.9 Ų92.912%0.1250%0.504CS..  trans-82.3133.2-178.7-15475.2000109.1A270 L273 T274 L394 W403 L514A270-L405 HydrophobicContact CB-CD2 3.84Å; L273-L405 HydrophobicContact CB-CD2 4.46Å; L273-L405 HydrophobicContact CD1-CD2 4.39Å; T274-L405 HydrophobicContact CG2-CD1 3.41Å; T274-L405 VanDerWaalsContact CG2-CD1 3.41Å; T274-L405 HydrophobicContact CG2-CD2 4.45Å; T274-L405 HydrophobicContact CG2-CG 3.97Å; L394-L405 WeakPolarHBondContact CB-O 3.31Å; L394-L405 HydrophobicContact CD2-CB 4.31Å; L394-L405 HydrophobicContact CD2-CD2 3.82Å; W403-L405 PolarHBondContact O-N 3.26Å; L405-L514 HydrophobicContact CD2-CD2 3.96Å
406A71.3Confident56.4Low70 Ų7096.5 Ų96.558%0.57952%0.524SS*.  trans-134.3152.6169.300000108.3
407F77.9Confident54.7Low22 Ų22101.1 Ų101.110%0.09655%0.549CS..PPolyproline II helixtrans-61.4156.1171-80.5-98000111.4L273 V278 F281 L390 L394 Q409L273-F407 HydrophobicContact CB-CD1 4.22Å; L273-F407 HydrophobicContact CB-CE1 4.12Å; L273-F407 HydrophobicContact CB-CZ 4.43Å; L273-F407 HydrophobicContact CD2-CD1 4.44Å; L273-F407 HydrophobicContact CD2-CE1 3.53Å; L273-F407 HydrophobicContact CD2-CE2 4.43Å; L273-F407 HydrophobicContact CD2-CZ 3.54Å; L273-F407 HydrophobicContact CG-CE1 4.36Å; L273-F407 HydrophobicContact CG-CZ 4.38Å; L273-F407 VanDerWaalsContact O-CA 3.3Å; L273-F407 WeakPolarHBondContact O-CA 3.28Å; L273-F407 WeakPolarHBondContact O-CD1 3.48Å; V278-F407 HydrophobicContact CB-CD1 4.12Å; V278-F407 HydrophobicContact CB-CE1 4.25Å; V278-F407 HydrophobicContact CB-CG 4.22Å; V278-F407 HydrophobicContact CB-CZ 4.46Å; V278-F407 HydrophobicContact CG1-CE1 4.3Å; V278-F407 HydrophobicContact CG1-CE2 4.33Å; V278-F407 HydrophobicContact CG1-CZ 4.11Å; V278-F407 HydrophobicContact CG2-CB 3.43Å; V278-F407 VanDerWaalsContact CG2-CB 3.43Å; V278-F407 HydrophobicContact CG2-CD1 3.6Å; V278-F407 HydrophobicContact CG2-CD2 3.4Å; V278-F407 VanDerWaalsContact CG2-CD2 3.4Å; V278-F407 HydrophobicContact CG2-CE1 4.03Å; V278-F407 HydrophobicContact CG2-CE2 3.86Å; V278-F407 HydrophobicContact CG2-CG 3.21Å; V278-F407 HydrophobicContact CG2-CZ 4.13Å; F281-F407 HydrophobicContact CB-CE1 4.27Å; F281-F407 HydrophobicContact CD2-CE1 4.45Å; F281-F407 HydrophobicContact CG-CE1 4.29Å; L390-F407 HydrophobicContact CB-CE2 4.11Å; L390-F407 HydrophobicContact CD1-CZ 4.33Å; L394-F407 HydrophobicContact CD1-CD2 3.39Å; L394-F407 HydrophobicContact CD1-CE2 3.42Å; L394-F407 VanDerWaalsContact CD1-CE2 3.42Å; L394-F407 HydrophobicContact CD1-CG 4.45Å; L394-F407 HydrophobicContact CD1-CZ 4.48Å; F407-Q409 PolarHBondContact O-N 3.24Å; F407-Q409 VanDerWaalsContact O-N 3.11Å
408R76.5Confident52.8Low110 Ų110103.9 Ų103.942%0.41557%0.572SS.*PPolyproline II helixtrans-57.2117.8173-168.7174.4179-178.4-0.9110.4L273 Q275L273-R408 PolarHBondContact O-N 3.27Å; Q275-R408 WeakPolarHBondContact O-CD 3.32Å; Q275-R408 PolarHBondContact O-NH1 2.68Å
409Q69.5Low50.9Low178 Ų178110.2 Ų110.283%0.83260%0.603SS**PPolyproline II helixtrans-79.9130.9170.4-109.9177.8-0.700109.4F407 D411F407-Q409 PolarHBondContact O-N 3.24Å; F407-Q409 VanDerWaalsContact O-N 3.11Å; Q409-D411 PolarHBondContact O-N 3.08Å
410K54.7Low49.2Very low144 Ų144110.8 Ų110.863%0.62661%0.605SS**PPolyproline II helixtrans-81.2116.6176.8-151.2168.8-167.5157.80108.3G412K410-G412 PolarHBondContact O-N 3.23Å; K410-G412 VanDerWaalsContact O-N 3.07Å
411D45.1Very low47.8Very low153 Ų153114.9 Ų114.982%0.81862%0.62SS**  trans-59.3114.8173.9-76.3-35.7000109.1Q409 K413Q409-D411 PolarHBondContact O-N 3.08Å; D411-K413 PolarHBondContact O-N 3.46Å
412G34.4Very low46.3Very low80 Ų80124.2 Ų124.283%0.82566%0.661SS**SBendtrans-7047.5-172.100000115.9K410K410-G412 PolarHBondContact O-N 3.23Å; K410-G412 VanDerWaalsContact O-N 3.07Å
413K28.2Very low44.6Very low196 Ų196126 Ų12685%0.85266%0.664SS**  trans-107.664168.2-71.1-179.3-179.4172.80109.9D411D411-K413 PolarHBondContact O-N 3.46Å
414S30.9Very low42.8Very low111 Ų111134 Ų13478%0.77669%0.694SS**  trans-84.5123.4165.153.90000108.7V416S414-V416 PolarHBondContact O-N 3.01Å
415N27.8Very low41.1Very low152 Ų152132.1 Ų132.181%0.81369%0.693SS**  trans-55.8118.1179.1-72.7-42.5000110.3I417N415-I417 VanDerWaalsContact C-N 3.31Å; N415-I417 PolarHBondContact O-N 3.31Å
416V28.2Very low39Very low139 Ų139139.9 Ų139.984%0.84273%0.725SS**  trans-63.992.7166.4179.50000107.6S414S414-V416 PolarHBondContact O-N 3.01Å
417I29.1Very low37.1Very low156 Ų156144.2 Ų144.280%0.874%0.739SS**  trans-90118.3156.8-64.5177.2000105.6N415 D419N415-I417 VanDerWaalsContact C-N 3.31Å; N415-I417 PolarHBondContact O-N 3.31Å; I417-D419 PolarHBondContact O-N 3.33Å; I417-D419 VanDerWaalsContact O-N 3.16Å
418A26.6Very low34.6Very low64 Ų64149.2 Ų149.253%0.52977%0.767SS.*  trans-68.1103.4-164.600000112.9H420A418-H420 PolarHBondContact O-N 3.5Å
419D29.1Very low32.4Very low171 Ų171151.9 Ų151.991%0.91479%0.789SS**  trans-84.399.2158-91.5-23.1000109.6I417I417-D419 PolarHBondContact O-N 3.33Å; I417-D419 VanDerWaalsContact O-N 3.16Å
420H26.6Very low30.4Very low157 Ų157147.3 Ų147.373%0.72778%0.777SS**  trans-76.1125.1172-83.8-65.8000111.6A418A418-H420 PolarHBondContact O-N 3.5Å
421R24.5Very low29.1Very low209 Ų209148.7 Ų148.779%0.78979%0.79SS**  trans76.2117.5150.9-64.1177.1-171.9161.84.6118.2
422F29.6Very low28.1Very low198 Ų198148.9 Ų148.987%0.86879%0.791SS**  175.687.4100.5-91.8-76.1000108.1
423S25.5Very low27.8Very low98 Ų98149.7 Ų149.769%0.68579%0.79SS**  62.7110.1105.4-128.50000118.8
424R28Very low27.7Very low239 Ų239149.3 Ų149.390%0.90279%0.789SS**  trans76.2116.8139.8-64.2172.5-176.3-155.5-0.7120.5
425S29.1Very low27.3Very low105 Ų105149.9 Ų149.973%0.73479%0.791SS**  165.4119103.6179.40000112.8
426F26.1Very low27.2Very low185 Ų185152 Ų15281%0.81179%0.793SS**  trans38.5112.7149-80-97.2000120.5
427D30.9Very low26.9Very low162 Ų162154 Ų15487%0.86679%0.793SS**  -164.3143.792.7-87.5-32.4000111.6
428D27.2Very low26.7Very low127 Ų127156 Ų15668%0.67980%0.797SS**  trans-89.4127.2-174.317521.4000109.3S430D428-S430 PolarHBondContact OD1-OG 3.26Å
429D29.2Very low27.1Very low165 Ų165158.4 Ų158.488%0.88281%0.806SS**  trans-142.698.4155.2-108.2-23000109.2L431D429-L431 PolarHBondContact O-N 3.04Å
430S26.8Very low26.8Very low82 Ų82157 Ų15757%0.57380%0.804SS**  trans-84.992.5-173.310.60000110.2D428D428-S430 PolarHBondContact OD1-OG 3.26Å
431L28.3Very low26.8Very low173 Ų173156 Ų15691%0.90681%0.809SS**  trans-98.690.2163.2-72.9174.9000110.2D429 A433D429-L431 PolarHBondContact O-N 3.04Å; L431-A433 PolarHBondContact O-N 3.26Å
432N24.4Very low26.8Very low157 Ų157149.2 Ų149.284%0.8480%0.804SS**  trans-58.386.8168.7-86-41.5000111.6K434N432-K434 PolarHBondContact O-N 3.13Å
433A28.5Very low26.5Very low97 Ų97145.5 Ų145.580%0.80280%0.797SS**  trans-82.595.8160.300000108.5L431 C435L431-A433 PolarHBondContact O-N 3.26Å; A433-C435 PolarHBondContact O-N 3.44Å
434K24.6Very low26.5Very low189 Ų189145.5 Ų145.582%0.82280%0.795SS**  trans-54110.7173.9-77.5177.6175.9175.50110N432 F436N432-K434 PolarHBondContact O-N 3.13Å; K434-F436 PolarHBondContact O-N 3.38Å
435C22.8Very low26.3Very low122 Ų122140.1 Ų140.182%0.82479%0.791SS**  trans-61.6111.6172.1-145.70000109.1A433 E437A433-C435 PolarHBondContact O-N 3.44Å; C435-E437 PolarHBondContact O-N 2.91Å
436F26.9Very low26.2Very low196 Ų196144 Ų14486%0.8679%0.794SS**  trans-77.6100.8167-97.9-87.4000108.2K434 K438K434-F436 PolarHBondContact O-N 3.38Å; F436-K438 PolarHBondContact O-N 3.35Å
437E21Very low26Very low181 Ų181142.9 Ų142.985%0.84680%0.797SS**  trans-65122.2165.5-71.4-177.3155.900110C435C435-E437 PolarHBondContact O-N 2.91Å
438K25.5Very low25.8Very low200 Ų200143.2 Ų143.287%0.8780%0.798SS**  trans-140.8147.1153.3-92-171-179.91750110.6F436F436-K438 PolarHBondContact O-N 3.35Å
439P34.7Very low25.6Very low113 Ų113147.2 Ų147.273%0.73481%0.809SS**  trans-97.6154.8-147.334.3-27.6000114.3V441P439-V441 PolarHBondContact O-N 3.22Å
440T23.1Very low25.3Very low141 Ų141143.4 Ų143.487%0.86581%0.809SS**  trans-41.4116.1169.2460000114.6
441V26.7Very low25.1Very low138 Ų138143.7 Ų143.784%0.83683%0.825SS**  trans-141.3125.9149.9-178.30000107.8P439P439-V441 PolarHBondContact O-N 3.22Å
442G23.7Very low24.9Very low65 Ų65139.1 Ų139.167%0.6782%0.82SS**  trans-60.2145.7-172.100000113.9P444G442-P444 VanDerWaalsContact O-CD 3.23Å; G442-P444 WeakPolarHBondContact O-CD 3.48Å
443V23.4Very low24.9Very low120 Ų120138.6 Ų138.673%0.72782%0.823SS**  trans-79111.7-179.5177.60000109.9F446V443-F446 HydrophobicContact CG1-CD2 4.04Å; V443-F446 HydrophobicContact CG1-CE2 3.67Å
444P24.7Very low24.7Very low98 Ų98139.5 Ų139.564%0.63682%0.823SS**  trans-86.8161.7160.16.416.9000109.2G442 F446G442-P444 VanDerWaalsContact O-CD 3.23Å; G442-P444 WeakPolarHBondContact O-CD 3.48Å; P444-F446 PolarHBondContact O-N 3.07Å
445P25.7Very low24.7Very low126 Ų126141.9 Ų141.982%0.81883%0.827SS**  trans-66.1126.7-167.626.3-30.3000111.2D447P445-D447 PolarHBondContact O-N 3.44Å
446F25.5Very low24.9Very low186 Ų186145 Ų14582%0.81682%0.821SS**  trans-62.5114.9-172.9-88-96.3000112.4V443 P444V443-F446 HydrophobicContact CG1-CD2 4.04Å; V443-F446 HydrophobicContact CG1-CE2 3.67Å; P444-F446 PolarHBondContact O-N 3.07Å
447D22.4Very low24.8Very low163 Ų163143.9 Ų143.987%0.87282%0.823SS**  trans-87122.9171.7-139-9.3000109.7P445 K449P445-D447 PolarHBondContact O-N 3.44Å; D447-K449 PolarHBondContact O-N 3.35Å
448L26.1Very low25.2Very low168 Ų168140.6 Ų140.688%0.8881%0.811SS**  trans-7682-170.6-81.8146000112.2
449K24.2Very low25.4Very low211 Ų211138.2 Ų138.292%0.91781%0.807SS**  trans-142.496.5161.4-72.8-170.3-179.5173.80111.4D447D447-K449 PolarHBondContact O-N 3.35Å
450G21.5Very low25.3Very low85 Ų85136.5 Ų136.588%0.87680%0.795SS**  trans174.4115.1166.500000115
451G23.2Very low26.2Very low89 Ų89132.9 Ų132.992%0.91877%0.77SS**  trans111117.514500000117.1
452G24.3Very low27.4Very low76 Ų76131.4 Ų131.478%0.78476%0.758SS**  trans12564.2154.700000116.2S454G452-S454 PolarHBondContact O-N 3.05Å
453T23.9Very low28.8Very low147 Ų147131.9 Ų131.990%0.90275%0.748SS**  trans-67.979.416648.70000110.4
454S25.9Very low29.9Very low115 Ų115128.8 Ų128.880%0.80473%0.727SS**  trans-74.6121.7161.7-165.60000107.9G452 R456G452-S454 PolarHBondContact O-N 3.05Å; S454-R456 PolarHBondContact O-N 3.39Å
455R24.4Very low31.4Very low240 Ų240128.1 Ų128.191%0.90672%0.724SS**  trans-56.3103.8-172.6-79.1177.3170.1178.1-3.3110.2L457R455-L457 PolarHBondContact O-N 2.99Å
456R25.5Very low32.8Very low187 Ų187129.7 Ų129.771%0.70672%0.721SS**  trans-46.8103.6162.3-98.9176.7162.1-174.9-4109.3S454 L458S454-R456 PolarHBondContact O-N 3.39Å; R456-L458 HydrophobicContact CB-CG 4.1Å; R456-L458 HydrophobicContact CG-CD1 4.2Å; R456-L458 HydrophobicContact CG-CG 3.9Å; R456-L458 PolarHBondContact O-N 3.04Å
457L25.7Very low34.5Very low172 Ų172122.4 Ų122.490%0.90169%0.693SS**  trans-85.469.1150.5-70.6172.8000106.7R455 L459R455-L457 PolarHBondContact O-N 2.99Å; L457-L459 PolarHBondContact O-N 3.31Å; L457-L459 VanDerWaalsContact O-N 3.14Å
458L28.8Very low36.8Very low112 Ų112120.8 Ų120.859%0.58668%0.68SS**  trans-66.4109.5161.7-73.4173.8000105.6R456 P460R456-L458 HydrophobicContact CB-CG 4.1Å; R456-L458 HydrophobicContact CG-CD1 4.2Å; R456-L458 HydrophobicContact CG-CG 3.9Å; R456-L458 PolarHBondContact O-N 3.04Å; L458-P460 VanDerWaalsContact O-CD 3.26Å; L458-P460 WeakPolarHBondContact O-CD 3.33Å; L458-P460 VanDerWaalsContact O-N 3.15Å
459L29.6Very low38.7Very low150 Ų150116.7 Ų116.779%0.78567%0.666SS**  trans-54.6118.8159.8-80.6158.9000106.4L457 L461L457-L459 PolarHBondContact O-N 3.31Å; L457-L459 VanDerWaalsContact O-N 3.14Å; L459-L461 PolarHBondContact O-N 3.39Å
460P34Very low40.7Very low77 Ų77108.2 Ų108.250%0.563%0.631SS.*  trans-60.3130.7-178.1-20.931.9000109.5L458 N462 V463L458-P460 VanDerWaalsContact O-CD 3.26Å; L458-P460 WeakPolarHBondContact O-CD 3.33Å; L458-P460 VanDerWaalsContact O-N 3.15Å; P460-N462 HydrophobicContact CB-CB 4.37Å; P460-N462 PolarHBondContact O-N 3.17Å; P460-V463 VanDerWaalsContact O-CG2 3.31Å; P460-V463 WeakPolarHBondContact O-CG2 3.38Å; P460-V463 PolarHBondContact O-N 3.25Å
461L42.2Very low42.9Very low65 Ų65107 Ų10734%0.3461%0.613SS.*THydrogen-bonded Turntrans-52.5-19.3175.6-82.1156.2000113.4L459 V463 L464 L493 E494L459-L461 PolarHBondContact O-N 3.39Å; L461-V463 PolarHBondContact O-N 3.13Å; L461-V463 VanDerWaalsContact O-N 3.12Å; L461-L464 HydrophobicContact CD2-CD1 4.38Å; L461-L464 PolarHBondContact O-N 2.91Å; L461-L493 HydrophobicContact CD2-CD2 3.61Å; L461-L493 HydrophobicContact CD2-CG 4.41Å; L461-E494 HydrophobicContact CD1-CG 4.19Å
462N51.4Low45.1Very low108 Ų108110.2 Ų110.258%0.57860%0.597SS**THydrogen-bonded Turntrans-56.2-22.3172-52.311.8000112.9P460 L464 S465 E466P460-N462 HydrophobicContact CB-CB 4.37Å; P460-N462 PolarHBondContact O-N 3.17Å; N462-L464 PolarHBondContact O-N 3.45Å; N462-S465 PolarHBondContact O-N 2.83Å; N462-S465 PolarHBondContact O-OG 3.34Å; N462-E466 PolarHBondContact O-N 2.6Å
463V52.8Low47.2Very low75 Ų75110.6 Ų110.646%0.45558%0.584SS.*Hα-helixtrans-62.8-27.2175.5176.90000111.5P460 L461 E466 S467P460-V463 VanDerWaalsContact O-CG2 3.31Å; P460-V463 WeakPolarHBondContact O-CG2 3.38Å; P460-V463 PolarHBondContact O-N 3.25Å; L461-V463 PolarHBondContact O-N 3.13Å; L461-V463 VanDerWaalsContact O-N 3.12Å; V463-E466 CarbonylContact O-C 3.54Å; V463-E466 PolarHBondContact O-N 2.69Å; V463-S467 WeakPolarHBondContact O-CA 3.28Å; V463-S467 WeakPolarHBondContact O-CB 3.37Å; V463-S467 PolarHBondContact O-N 2.8Å
464L47Very low49.3Very low54 Ų54104.3 Ų104.328%0.28355%0.546SS..Hα-helixtrans-68.2-35.3176.6-73.7172.7000112.8L461 N462 E466 V470 Q490 L493L461-L464 HydrophobicContact CD2-CD1 4.38Å; L461-L464 PolarHBondContact O-N 2.91Å; N462-L464 PolarHBondContact O-N 3.45Å; L464-E466 VanDerWaalsContact C-N 3.31Å; L464-V470 HydrophobicContact CD2-CG2 3.83Å; L464-Q490 HydrophobicContact CD1-CG 4.48Å; L464-L493 HydrophobicContact CD1-CD2 3.85Å
465S54.4Low51.4Low84 Ų84101.7 Ų101.759%0.58753%0.531SS*.Hα-helixtrans-72.2-27.2174.245.60000112.7N462N462-S465 PolarHBondContact O-N 2.83Å; N462-S465 PolarHBondContact O-OG 3.34Å
466E56.2Low53.7Low160 Ų16096 Ų9675%0.74852%0.518SS*.Hα-helixtrans-95.6-11.3-179.9-64.8-177.4177.500113.4N462 V463 L464 E468N462-E466 PolarHBondContact O-N 2.6Å; V463-E466 CarbonylContact O-C 3.54Å; V463-E466 PolarHBondContact O-N 2.69Å; L464-E466 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 3.01Å; E466-E468 VanDerWaalsContact O-N 3.13Å
467S62Low56Low33 Ų3387.8 Ų87.823%0.23149%0.489CS..  trans-70.1110-177.7174.50000110.6V463 S469 V470 A471V463-S467 WeakPolarHBondContact O-CA 3.28Å; V463-S467 WeakPolarHBondContact O-CB 3.37Å; V463-S467 PolarHBondContact O-N 2.8Å; S467-S469 PolarHBondContact O-N 3.37Å; S467-S469 VanDerWaalsContact O-N 3.1Å; S467-V470 PolarHBondContact O-N 3.47Å; S467-V470 PolarHBondContact OG-N 2.95Å; S467-A471 PolarHBondContact O-N 3Å
468E70.5Confident58.3Low128 Ų12885.7 Ų85.760%0.59847%0.473SS*.Hα-helixtrans-54.5-31.3175.2-160-169.7164.200111.9E466 R472E466-E468 PolarHBondContact O-N 3.01Å; E466-E468 VanDerWaalsContact O-N 3.13Å; E468-R472 WeakPolarHBondContact O-CB 3.29Å; E468-R472 WeakPolarHBondContact O-CG 3.42Å; E468-R472 PolarHBondContact O-N 3.48Å; E468-R472 IonicContact OE1-CZ 2.66Å; E468-R472 IonicContact OE1-NE 3.24Å; E468-R472 IonicContact OE1-NH2 3.35Å; E468-R472 PolarHBondContact OE1-NH2 3.46Å
469S65.7Low60.5Low82 Ų8289.8 Ų89.857%0.57349%0.486SS*.Hα-helixtrans-67.5-44.6177.5-57.30000111.8S467 R472 V473S467-S469 PolarHBondContact O-N 3.37Å; S467-S469 VanDerWaalsContact O-N 3.1Å; S469-R472 PolarHBondContact O-N 3.29Å; S469-V473 WeakPolarHBondContact O-CG2 3.31Å; S469-V473 PolarHBondContact O-N 2.71Å
470V66.2Low62.7Low33 Ų3386.3 Ų86.320%0.248%0.479CS..Hα-helixtrans-66.5-44176.9177.10000109.7L464 S467 R472 V473 T474L464-V470 HydrophobicContact CD2-CG2 3.83Å; S467-V470 PolarHBondContact O-N 3.47Å; S467-V470 PolarHBondContact OG-N 2.95Å; V470-R472 VanDerWaalsContact C-N 3.31Å; V470-R472 PolarHBondContact O-N 2.76Å; V470-V473 PolarHBondContact O-N 2.95Å; V470-T474 WeakPolarHBondContact O-CB 3.34Å; V470-T474 PolarHBondContact O-N 3.41Å; V470-T474 PolarHBondContact O-OG1 3.11Å
471A67.6Low64.3Low59 Ų5986.1 Ų86.149%0.48849%0.491SS..Hα-helixtrans-57.8-42175.600000112.3S467 A475S467-A471 PolarHBondContact O-N 3Å; A471-A475 VanDerWaalsContact O-CB 3.26Å; A471-A475 WeakPolarHBondContact O-CB 3.49Å; A471-A475 PolarHBondContact O-N 2.92Å
472R68.4Low65.5Low157 Ų15787.1 Ų87.159%0.59250%0.5SS*.Hα-helixtrans-64.1-46.6174-80-177.4-166.1169.56.1112.4E468 S469 V470 A475 I476E468-R472 WeakPolarHBondContact O-CB 3.29Å; E468-R472 WeakPolarHBondContact O-CG 3.42Å; E468-R472 PolarHBondContact O-N 3.48Å; E468-R472 IonicContact OE1-CZ 2.66Å; E468-R472 IonicContact OE1-NE 3.24Å; E468-R472 IonicContact OE1-NH2 3.35Å; E468-R472 PolarHBondContact OE1-NH2 3.46Å; S469-R472 PolarHBondContact O-N 3.29Å; V470-R472 VanDerWaalsContact C-N 3.31Å; V470-R472 PolarHBondContact O-N 2.76Å; R472-A475 PolarHBondContact O-N 2.92Å; R472-I476 WeakPolarHBondContact O-CG1 3.38Å; R472-I476 PolarHBondContact O-N 3.47Å
473V68.4Low66.2Low84 Ų8487.8 Ų87.851%0.50950%0.503SS..Hα-helixtrans-63.5-44.1179.2172.90000110.7S469 V470 A475 I476 A477 I484S469-V473 WeakPolarHBondContact O-CG2 3.31Å; S469-V473 PolarHBondContact O-N 2.71Å; V470-V473 PolarHBondContact O-N 2.95Å; V473-A475 VanDerWaalsContact C-N 3.34Å; V473-A475 PolarHBondContact O-N 2.92Å; V473-I476 PolarHBondContact O-N 3.31Å; V473-A477 VanDerWaalsContact O-CB 3.32Å; V473-A477 WeakPolarHBondContact O-CB 3.49Å; V473-A477 PolarHBondContact O-N 3.25Å; V473-I484 HydrophobicContact CG1-CD1 4.11Å
474T69.6Low66.8Low16 Ų1686.1 Ų86.110%0.09849%0.492CS..Hα-helixtrans-62.3-39.8175.6-53.90000111.6V470 K478 I484V470-T474 WeakPolarHBondContact O-CB 3.34Å; V470-T474 PolarHBondContact O-N 3.41Å; V470-T474 PolarHBondContact O-OG1 3.11Å; T474-K478 WeakPolarHBondContact O-CB 3.22Å; T474-K478 WeakPolarHBondContact O-CG 3.43Å; T474-K478 PolarHBondContact O-N 3.07Å; T474-I484 HydrophobicContact CG2-CB 4.29Å
475A69.6Low67.9Low60 Ų6087.4 Ų87.450%0.49650%0.499SS..Hα-helixtrans-66.5-41.6174.700000112.4A471 R472 V473 K479A471-A475 VanDerWaalsContact O-CB 3.26Å; A471-A475 WeakPolarHBondContact O-CB 3.49Å; A471-A475 PolarHBondContact O-N 2.92Å; R472-A475 PolarHBondContact O-N 2.92Å; V473-A475 VanDerWaalsContact C-N 3.34Å; V473-A475 PolarHBondContact O-N 2.92Å; A475-K479 WeakPolarHBondContact O-CB 3.28Å; A475-K479 PolarHBondContact O-N 3.29Å
476I72.9Confident68.6Low120 Ų12086.3 Ų86.362%0.61549%0.486SS*.Hα-helixtrans-63.6-45.4175.6-68.3164.1000110.4R472 V473 K479 A480R472-I476 WeakPolarHBondContact O-CG1 3.38Å; R472-I476 PolarHBondContact O-N 3.47Å; V473-I476 PolarHBondContact O-N 3.31Å; I476-K479 WeakPolarHBondContact O-CB 3.44Å; I476-K479 PolarHBondContact O-N 2.86Å; I476-A480 PolarHBondContact O-N 3.18Å
477A73.5Confident69Low14 Ų1485.7 Ų85.712%0.11648%0.483CS..Hα-helixtrans-63.5-45.6178.700000111.7V473 K479 A480 G481 V482 I484V473-A477 VanDerWaalsContact O-CB 3.32Å; V473-A477 WeakPolarHBondContact O-CB 3.49Å; V473-A477 PolarHBondContact O-N 3.25Å; A477-K479 VanDerWaalsContact C-N 3.28Å; A477-K479 PolarHBondContact O-N 2.64Å; A477-A480 CarbonylContact O-C 3.37Å; A477-A480 WeakPolarHBondContact O-CA 3.44Å; A477-A480 WeakPolarHBondContact O-CB 3.15Å; A477-A480 PolarHBondContact O-N 2.84Å; A477-G481 PolarHBondContact O-N 3.12Å; A477-G481 VanDerWaalsContact O-N 3.09Å; A477-V482 CarbonylContact C-O 3.01Å; A477-V482 HydrophobicContact CB-CB 4.21Å; A477-V482 WeakPolarHBondContact CB-O 3.2Å; A477-V482 PolarHBondContact O-N 2.85Å; A477-V482 VanDerWaalsContact O-O 3.1Å; A477-I484 HydrophobicContact CB-CD1 3.29Å; A477-I484 HydrophobicContact CB-CG1 3.58Å
478K73.9Confident69.2Low128 Ų12888.8 Ų88.856%0.55750%0.496SS*.Hα-helixtrans-59.6-39173.4-78.3-173.7-178.3-170.10112.1T474 A480 G481 V482 D483T474-K478 WeakPolarHBondContact O-CB 3.22Å; T474-K478 WeakPolarHBondContact O-CG 3.43Å; T474-K478 PolarHBondContact O-N 3.07Å; K478-A480 PolarHBondContact O-N 3.35Å; K478-G481 PolarHBondContact O-N 3.4Å; K478-V482 PolarHBondContact N-O 3.23Å; K478-D483 WeakPolarHBondContact CE-OD1 3.41Å; K478-D483 IonicContact NZ-OD1 2.6Å
479K74.1Confident68.8Low198 Ų19886.2 Ų86.286%0.86149%0.486SS*.Hα-helixtrans-66-27.2174.8-161.1176-175.2179.50112.6A475 I476 A477 G481A475-K479 WeakPolarHBondContact O-CB 3.28Å; A475-K479 PolarHBondContact O-N 3.29Å; I476-K479 WeakPolarHBondContact O-CB 3.44Å; I476-K479 PolarHBondContact O-N 2.86Å; A477-K479 VanDerWaalsContact C-N 3.28Å; A477-K479 PolarHBondContact O-N 2.64Å; K479-G481 VanDerWaalsContact C-N 3.34Å
480A76.1Confident68.6Low78 Ų7885.1 Ų85.165%0.64547%0.472SS*.THydrogen-bonded Turntrans-87.12.9172.500000113.8I476 A477 K478 V482I476-A480 PolarHBondContact O-N 3.18Å; A477-A480 CarbonylContact O-C 3.37Å; A477-A480 WeakPolarHBondContact O-CA 3.44Å; A477-A480 WeakPolarHBondContact O-CB 3.15Å; A477-A480 PolarHBondContact O-N 2.84Å; K478-A480 PolarHBondContact O-N 3.35Å; A480-V482 VanDerWaalsContact C-N 3.34Å
481G68.5Low68.5Low72 Ų7289.7 Ų89.774%0.74249%0.489SS*.THydrogen-bonded Turntrans78.512.4-177.700000114.9A477 K478 K479A477-G481 PolarHBondContact O-N 3.12Å; A477-G481 VanDerWaalsContact O-N 3.09Å; K478-G481 PolarHBondContact O-N 3.4Å; K479-G481 VanDerWaalsContact C-N 3.34Å
482V66.7Low68.4Low86 Ų8691.1 Ų91.152%0.52149%0.486SS..  trans-101.5109.3176.4-177.60000108.5A477 K478 A480 I484A477-V482 CarbonylContact C-O 3.01Å; A477-V482 HydrophobicContact CB-CB 4.21Å; A477-V482 WeakPolarHBondContact CB-O 3.2Å; A477-V482 PolarHBondContact O-N 2.85Å; A477-V482 VanDerWaalsContact O-O 3.1Å; K478-V482 PolarHBondContact N-O 3.23Å; A480-V482 VanDerWaalsContact C-N 3.34Å; V482-I484 PolarHBondContact O-N 2.82Å
483D67.1Low68.1Low123 Ų12387.1 Ų87.166%0.65848%0.476SS*.  trans-80.8115175.2-162.623.6000109.9K478 N485K478-D483 WeakPolarHBondContact CE-OD1 3.41Å; K478-D483 IonicContact NZ-OD1 2.6Å; D483-N485 PolarHBondContact O-N 3.31Å
484I63.8Low68Low40 Ų4088.3 Ų88.321%0.20548%0.476CS..  trans-90.3102.8176.6-61.3-176.9000107.5V473 T474 A477 V482 I486 L489V473-I484 HydrophobicContact CG1-CD1 4.11Å; T474-I484 HydrophobicContact CG2-CB 4.29Å; A477-I484 HydrophobicContact CB-CD1 3.29Å; A477-I484 HydrophobicContact CB-CG1 3.58Å; V482-I484 PolarHBondContact O-N 2.82Å; I484-I486 PolarHBondContact O-N 3.33Å; I484-L489 HydrophobicContact CG2-CD1 3.38Å; I484-L489 HydrophobicContact CG2-CG 4.26Å
485N69.7Low67.7Low81 Ų8191.3 Ų91.343%0.43349%0.491SS..  trans-73.4105.5174-172.1-16.4000109.9D483 E487 L488 L489D483-N485 PolarHBondContact O-N 3.31Å; N485-E487 VanDerWaalsContact C-N 3.26Å; N485-E487 PolarHBondContact O-N 3.21Å; N485-E487 WeakPolarHBondContact OD1-CB 3.3Å; N485-E487 PolarHBondContact OD1-N 2.76Å; N485-E487 VanDerWaalsContact OD1-N 3.08Å; N485-L488 HydrophobicContact CB-CB 4.07Å; N485-L488 WeakPolarHBondContact O-CB 3.43Å; N485-L488 PolarHBondContact O-N 3.35Å; N485-L489 PolarHBondContact O-N 3.06Å
486I69.5Low67.4Low61 Ų6191.3 Ų91.331%0.31348%0.483SS..Hα-helixtrans-62.5-33.3-177.9-61.5174.5000111.5I484 L488 L489 Q490I484-I486 PolarHBondContact O-N 3.33Å; I486-L488 VanDerWaalsContact C-N 3.3Å; I486-L488 PolarHBondContact O-N 3.18Å; I486-L489 PolarHBondContact O-N 3.1Å; I486-Q490 WeakPolarHBondContact O-CG 3.22Å; I486-Q490 PolarHBondContact O-N 3.09Å
487E65.9Low67.3Low146 Ų14688.6 Ų88.668%0.68247%0.472SS*.Hα-helixtrans-64.8-37.9177.6-63.6-179.5169.600111.4N485 Q490 K491N485-E487 VanDerWaalsContact C-N 3.26Å; N485-E487 PolarHBondContact O-N 3.21Å; N485-E487 WeakPolarHBondContact OD1-CB 3.3Å; N485-E487 PolarHBondContact OD1-N 2.76Å; N485-E487 VanDerWaalsContact OD1-N 3.08Å; E487-Q490 PolarHBondContact O-N 3.23Å; E487-K491 WeakPolarHBondContact O-CB 3.48Å; E487-K491 PolarHBondContact O-N 3.15Å
488L65.8Low67.2Low99 Ų9989.9 Ų89.952%0.51848%0.483SS..Hα-helixtrans-68.2-38.5177.9-138.1164.4000110.9N485 I486 K491 E492N485-L488 HydrophobicContact CB-CB 4.07Å; N485-L488 WeakPolarHBondContact O-CB 3.43Å; N485-L488 PolarHBondContact O-N 3.35Å; I486-L488 VanDerWaalsContact C-N 3.3Å; I486-L488 PolarHBondContact O-N 3.18Å; L488-K491 PolarHBondContact O-N 3.45Å; L488-E492 HydrophobicContact CD2-CG 4.31Å; L488-E492 PolarHBondContact O-N 2.89Å
489L61.5Low67.3Low73 Ų7384 Ų8438%0.38246%0.457SS..Hα-helixtrans-65.1-41.6173-74.5174.7000112.6I484 N485 I486 K491 E492 L493I484-L489 HydrophobicContact CG2-CD1 3.38Å; I484-L489 HydrophobicContact CG2-CG 4.26Å; N485-L489 PolarHBondContact O-N 3.06Å; I486-L489 PolarHBondContact O-N 3.1Å; L489-K491 VanDerWaalsContact C-N 3.35Å; L489-E492 PolarHBondContact O-N 3.16Å; L489-L493 WeakPolarHBondContact O-CB 3.5Å; L489-L493 PolarHBondContact O-N 2.82Å
490Q62.1Low67.4Low60 Ų6077.5 Ų77.528%0.2843%0.43SS..Hα-helixtrans-62.3-45.4175.7-78.1178.6-21.700110.7L464 I486 E487 L493 E494L464-Q490 HydrophobicContact CD1-CG 4.48Å; I486-Q490 WeakPolarHBondContact O-CG 3.22Å; I486-Q490 PolarHBondContact O-N 3.09Å; E487-Q490 PolarHBondContact O-N 3.23Å; Q490-L493 PolarHBondContact O-N 3.16Å; Q490-E494 WeakPolarHBondContact O-CG 3.27Å; Q490-E494 PolarHBondContact O-N 3.4Å
491K64.8Low67.5Low129 Ų12980 Ų8056%0.56143%0.428SS*.Hα-helixtrans-61.5-45.1175.6-171.8178.7177.5-179.10112.3E487 L488 L489 L493 E494 D495E487-K491 WeakPolarHBondContact O-CB 3.48Å; E487-K491 PolarHBondContact O-N 3.15Å; L488-K491 PolarHBondContact O-N 3.45Å; L489-K491 VanDerWaalsContact C-N 3.35Å; K491-L493 VanDerWaalsContact C-N 3.28Å; K491-L493 PolarHBondContact O-N 2.93Å; K491-E494 PolarHBondContact O-N 3.46Å; K491-D495 WeakPolarHBondContact O-CB 3.29Å; K491-D495 PolarHBondContact O-N 2.71Å
492E63.6Low68.1Low89 Ų8977.8 Ų77.842%0.41640%0.401SS..Hα-helixtrans-59.6-38174.1-82.3-171.5156.600111.8L488 L489 N496L488-E492 HydrophobicContact CD2-CG 4.31Å; L488-E492 PolarHBondContact O-N 2.89Å; L489-E492 PolarHBondContact O-N 3.16Å; E492-N496 WeakPolarHBondContact O-CB 3.44Å; E492-N496 PolarHBondContact O-N 2.8Å; E492-N496 PolarHBondContact O-ND2 2.82Å; E492-N496 PolarHBondContact O-OD1 2.72Å
493L63.9Low68.8Low73 Ų7378.1 Ų78.138%0.38241%0.407SS..Hα-helixtrans-72.3-37179-165.366.8000112.7L461 L464 L489 Q490 K491 N496 T497L461-L493 HydrophobicContact CD2-CD2 3.61Å; L461-L493 HydrophobicContact CD2-CG 4.41Å; L464-L493 HydrophobicContact CD1-CD2 3.85Å; L489-L493 WeakPolarHBondContact O-CB 3.5Å; L489-L493 PolarHBondContact O-N 2.82Å; Q490-L493 PolarHBondContact O-N 3.16Å; K491-L493 VanDerWaalsContact C-N 3.28Å; K491-L493 PolarHBondContact O-N 2.93Å; L493-N496 WeakPolarHBondContact O-CB 3.44Å; L493-N496 PolarHBondContact O-N 3.01Å; L493-T497 PolarHBondContact O-N 3.36Å
494E64.4Low69.6Low108 Ų10875.6 Ų75.651%0.50539%0.391SS..Hα-helixtrans-62.7-48.2171.2-73.4179176.600110.7L461 Q490 K491 N496 T497 A498L461-E494 HydrophobicContact CD1-CG 4.19Å; Q490-E494 WeakPolarHBondContact O-CG 3.27Å; Q490-E494 PolarHBondContact O-N 3.4Å; K491-E494 PolarHBondContact O-N 3.46Å; E494-N496 PolarHBondContact O-N 3.44Å; E494-T497 PolarHBondContact O-N 3.02Å; E494-T497 PolarHBondContact O-OG1 2.96Å; E494-T497 VanDerWaalsContact O-OG1 3.08Å; E494-A498 PolarHBondContact O-N 3.38Å; E494-A498 VanDerWaalsContact O-N 3.1Å
495D64.2Low70.7Confident80 Ų8073.7 Ų73.743%0.42838%0.382SS..Hα-helixtrans-60.1-34.8175.3-73.3-20000111.7K244 K491 T497 A498K244-D495 PolarHBondContact NZ-O 3.36Å; K491-D495 WeakPolarHBondContact O-CB 3.29Å; K491-D495 PolarHBondContact O-N 2.71Å; D495-T497 VanDerWaalsContact C-N 3.28Å; D495-T497 PolarHBondContact O-N 3.08Å; D495-A498 PolarHBondContact O-N 2.74Å
496N64Low71.4Confident59 Ų5975.3 Ų75.332%0.31638%0.382SS..Hα-helixtrans-64.6-28175.2-74.1-15.1000112.8E492 L493 E494 Y499 Q648E492-N496 WeakPolarHBondContact O-CB 3.44Å; E492-N496 PolarHBondContact O-N 2.8Å; E492-N496 PolarHBondContact O-ND2 2.82Å; E492-N496 PolarHBondContact O-OD1 2.72Å; L493-N496 WeakPolarHBondContact O-CB 3.44Å; L493-N496 PolarHBondContact O-N 3.01Å; E494-N496 PolarHBondContact O-N 3.44Å; N496-Y499 WeakPolarHBondContact O-CD1 3.45Å; N496-Y499 WeakPolarHBondContact O-CE1 3.49Å; N496-Q648 PolarHBondContact OD1-NE2 3.16Å; N496-Q648 PolarHBondContact OD1-OE1 3.12Å
497T69.4Low72.2Confident64 Ų6474.5 Ų74.539%0.39338%0.381SS..Hα-helixtrans-98.1-10.817961.10000113.7L493 E494 D495 Y499 Q500L493-T497 PolarHBondContact O-N 3.36Å; E494-T497 PolarHBondContact O-N 3.02Å; E494-T497 PolarHBondContact O-OG1 2.96Å; E494-T497 VanDerWaalsContact O-OG1 3.08Å; D495-T497 VanDerWaalsContact C-N 3.28Å; D495-T497 PolarHBondContact O-N 3.08Å; T497-Y499 PolarHBondContact O-N 3.09Å; T497-Y499 VanDerWaalsContact O-N 3.16Å; T497-Q500 WeakPolarHBondContact O-CB 3.46Å; T497-Q500 PolarHBondContact O-N 3.35Å
498A72.4Confident73.4Confident41 Ų4167.9 Ų67.934%0.33935%0.35SS..Hα-helixtrans-55.2-34.9-179.300000113.4E494 D495 Q500 Q501E494-A498 PolarHBondContact O-N 3.38Å; E494-A498 VanDerWaalsContact O-N 3.1Å; D495-A498 PolarHBondContact O-N 2.74Å; A498-Q500 PolarHBondContact O-N 2.91Å; A498-Q501 WeakPolarHBondContact O-CB 3.42Å; A498-Q501 PolarHBondContact O-N 3.38Å
499Y75.2Confident74.5Confident3 Ų363.2 Ų63.21%0.01233%0.325CS..THydrogen-bonded Turntrans-61.5-28178.979.4-88.9000112.8K244 V253 N496 T497 Q501 S502 C505 F509 E642 M645K244-Y499 HydrophobicContact CD-CD1 3.79Å; K244-Y499 HydrophobicContact CD-CG 4.09Å; V253-Y499 HydrophobicContact CG1-CD2 3.99Å; N496-Y499 WeakPolarHBondContact O-CD1 3.45Å; N496-Y499 WeakPolarHBondContact O-CE1 3.49Å; T497-Y499 PolarHBondContact O-N 3.09Å; T497-Y499 VanDerWaalsContact O-N 3.16Å; Y499-Q501 PolarHBondContact O-N 3.06Å; Y499-S502 WeakPolarHBondContact O-CB 3.35Å; Y499-S502 PolarHBondContact O-N 3.07Å; Y499-C505 HydrophobicContact CD2-CB 4.26Å; Y499-C505 WeakPolarHBondContact O-CB 3.49Å; Y499-F509 HydrophobicContact CE2-CE2 4.19Å; Y499-E642 PolarHBondContact OH-O 2.79Å; Y499-M645 HydrophobicContact CD2-CE 4.11Å; Y499-M645 HydrophobicContact CE1-CB 3.93Å; Y499-M645 HydrophobicContact CE1-CE 4.17Å; Y499-M645 HydrophobicContact CE2-CE 3.56Å
500Q77.5Confident75.7Confident63 Ų6362.6 Ų62.629%0.29432%0.319SS..THydrogen-bonded Turntrans-65.9-19.2177.9-62.3179.7-13.200111.7T497 A498 R506 E642 L643T497-Q500 WeakPolarHBondContact O-CB 3.46Å; T497-Q500 PolarHBondContact O-N 3.35Å; A498-Q500 PolarHBondContact O-N 2.91Å; Q500-R506 WeakPolarHBondContact O-CD 3.21Å; Q500-R506 VanDerWaalsContact O-CG 3.29Å; Q500-R506 WeakPolarHBondContact O-CG 3.17Å; Q500-E642 PolarHBondContact NE2-O 3.28Å; Q500-L643 PolarHBondContact NE2-O 3.42Å; Q500-L643 VanDerWaalsContact NE2-O 3.16Å
501Q77.8Confident77Confident130 Ų13061.2 Ų61.261%0.60731%0.313SS*.THydrogen-bonded Turntrans-89.9-22.5175.4-55.2-177.32000112.1A498 Y499 S503 R506A498-Q501 WeakPolarHBondContact O-CB 3.42Å; A498-Q501 PolarHBondContact O-N 3.38Å; Y499-Q501 PolarHBondContact O-N 3.06Å; Q501-S503 PolarHBondContact O-N 3.16Å; Q501-R506 PolarHBondContact O-NE 3.38Å; Q501-R506 PolarHBondContact O-NH2 3.33Å
502S81.8Confident78.2Confident26 Ų2655.8 Ų55.818%0.18229%0.29CS..  trans-54.5126.7174.8175.70000110.3Y499 H504 C505 R506Y499-S502 WeakPolarHBondContact O-CB 3.35Å; Y499-S502 PolarHBondContact O-N 3.07Å; S502-H504 VanDerWaalsContact C-N 3.25Å; S502-H504 PolarHBondContact O-N 2.65Å; S502-H504 PolarHBondContact OG-N 2.81Å; S502-C505 PolarHBondContact OG-N 3.32Å; S502-R506 WeakPolarHBondContact O-CG 3.44Å; S502-R506 PolarHBondContact O-N 2.87Å; S502-R506 VanDerWaalsContact O-N 3.15Å; S502-R506 PolarHBondContact O-NE 3.36Å
503S81Confident79.4Confident92 Ų9252.8 Ų52.864%0.64328%0.275SS*.Hα-helixtrans-63.4-36.3176.152.90000111.1Q501 C507Q501-S503 PolarHBondContact O-N 3.16Å; S503-C507 VanDerWaalsContact O-CB 3.28Å; S503-C507 WeakPolarHBondContact O-CB 3.18Å; S503-C507 PolarHBondContact O-N 3.1Å
504H83Confident80.5Confident70 Ų7049.4 Ų49.432%0.32426%0.257SS..Hα-helixtrans-66.1-49.2179.4-173.868.5000111.8S204 S502 R506 C507 Y508S204-H504 PolarHBondContact OG-NE2 2.89Å; S204-H504 VanDerWaalsContact OG-NE2 3.13Å; S502-H504 VanDerWaalsContact C-N 3.25Å; S502-H504 PolarHBondContact O-N 2.65Å; S502-H504 PolarHBondContact OG-N 2.81Å; H504-R506 PolarHBondContact O-N 3.23Å; H504-C507 WeakPolarHBondContact O-CB 3.48Å; H504-C507 PolarHBondContact O-N 3.17Å; H504-Y508 PolarHBondContact O-N 3.42Å
505C87.1Confident81.8Confident1 Ų144.4 Ų44.41%0.00723%0.233CC..Hα-helixtrans-64.2-41.8179.1-56.80000112D251 V253 Y499 S502 C507 Y508 F509D251-C505 WeakPolarHBondContact CB-SG 3.47Å; V253-C505 HydrophobicContact CG1-CB 4.18Å; V253-C505 HydrophobicContact CG2-CB 4.03Å; Y499-C505 HydrophobicContact CD2-CB 4.26Å; Y499-C505 WeakPolarHBondContact O-CB 3.49Å; S502-C505 PolarHBondContact OG-N 3.32Å; C505-C507 VanDerWaalsContact C-N 3.31Å; C505-C507 PolarHBondContact O-N 3.14Å; C505-Y508 WeakPolarHBondContact O-CB 3.24Å; C505-Y508 PolarHBondContact O-N 3.35Å; C505-F509 WeakPolarHBondContact O-CD2 3.21Å; C505-F509 PolarHBondContact O-N 3.04Å
506R84.8Confident83Confident115 Ų11541.1 Ų41.143%0.43422%0.217SC..Hα-helixtrans-61.9-40.7174.1-74.3-173.4-71.4175.3-3.8111.9Q500 Q501 S502 H504 Y508 K510Q500-R506 WeakPolarHBondContact O-CD 3.21Å; Q500-R506 VanDerWaalsContact O-CG 3.29Å; Q500-R506 WeakPolarHBondContact O-CG 3.17Å; Q501-R506 PolarHBondContact O-NE 3.38Å; Q501-R506 PolarHBondContact O-NH2 3.33Å; S502-R506 WeakPolarHBondContact O-CG 3.44Å; S502-R506 PolarHBondContact O-N 2.87Å; S502-R506 VanDerWaalsContact O-N 3.15Å; S502-R506 PolarHBondContact O-NE 3.36Å; H504-R506 PolarHBondContact O-N 3.23Å; R506-Y508 VanDerWaalsContact C-N 3.34Å; R506-K510 WeakPolarHBondContact O-CB 3.48Å; R506-K510 WeakPolarHBondContact O-CD 3.44Å; R506-K510 WeakPolarHBondContact O-CG 3.37Å; R506-K510 PolarHBondContact O-N 2.91Å; R506-K510 VanDerWaalsContact O-N 3.1Å
507C85.6Confident84.1Confident43 Ų4339.4 Ų39.429%0.29121%0.207SC..Hα-helixtrans-61-45175.4-164.70000111.1S503 H504 C505 K510 H511S503-C507 VanDerWaalsContact O-CB 3.28Å; S503-C507 WeakPolarHBondContact O-CB 3.18Å; S503-C507 PolarHBondContact O-N 3.1Å; H504-C507 WeakPolarHBondContact O-CB 3.48Å; H504-C507 PolarHBondContact O-N 3.17Å; C505-C507 VanDerWaalsContact C-N 3.31Å; C505-C507 PolarHBondContact O-N 3.14Å; C507-K510 WeakPolarHBondContact O-CB 3.34Å; C507-K510 PolarHBondContact O-N 2.79Å; C507-H511 PolarHBondContact O-CD2 2.72Å; C507-H511 PolarHBondContact O-N 2.98Å
508Y90.6Very high85Confident8 Ų836.5 Ų36.53%0.03119%0.189CC..Hα-helixtrans-55.2-55.4176.6177.6-98.3000112.4V253 Q255 D266 H504 C505 R506 K510 H511 M512V253-Y508 HydrophobicContact CB-CD1 4.46Å; V253-Y508 HydrophobicContact CG2-CD1 3.42Å; V253-Y508 VanDerWaalsContact CG2-CD1 3.42Å; V253-Y508 HydrophobicContact CG2-CE1 4.05Å; V253-Y508 HydrophobicContact CG2-CG 3.81Å; Q255-Y508 HydrophobicContact CG-CE1 4.14Å; D266-Y508 WeakPolarHBondContact OD1-CE2 3.44Å; D266-Y508 PolarHBondContact OD1-OH 2.9Å; H504-Y508 PolarHBondContact O-N 3.42Å; C505-Y508 WeakPolarHBondContact O-CB 3.24Å; C505-Y508 PolarHBondContact O-N 3.35Å; R506-Y508 VanDerWaalsContact C-N 3.34Å; Y508-K510 VanDerWaalsContact C-N 3.27Å; Y508-K510 PolarHBondContact O-N 2.99Å; Y508-H511 WeakPolarHBondContact O-CB 3.37Å; Y508-H511 PolarHBondContact O-N 3.26Å; Y508-H511 VanDerWaalsContact O-N 3.14Å; Y508-M512 HydrophobicContact CD1-CG 4.29Å; Y508-M512 HydrophobicContact CD2-CE 4.19Å; Y508-M512 HydrophobicContact CE1-CG 3.89Å; Y508-M512 HydrophobicContact CE2-CE 3.75Å; Y508-M512 HydrophobicContact CE2-CG 4.22Å; Y508-M512 HydrophobicContact CE2-SD 4.4Å; Y508-M512 WeakPolarHBondContact O-CG 3.46Å; Y508-M512 PolarHBondContact O-N 2.77Å
509F90Very high85.9Confident1 Ų135.3 Ų35.30%0.00418%0.176CC..Hα-helixtrans-64.5-30.8-179.4-74.4-71000113.1V253 Y499 C505 M512 R513 I638 E642 M645V253-F509 HydrophobicContact CB-CE2 4.23Å; V253-F509 HydrophobicContact CB-CZ 4.38Å; V253-F509 HydrophobicContact CG1-CE2 4.29Å; V253-F509 HydrophobicContact CG2-CE2 4.01Å; V253-F509 HydrophobicContact CG2-CZ 4.46Å; Y499-F509 HydrophobicContact CE2-CE2 4.19Å; C505-F509 WeakPolarHBondContact O-CD2 3.21Å; C505-F509 PolarHBondContact O-N 3.04Å; F509-M512 PolarHBondContact O-N 3.29Å; F509-R513 WeakPolarHBondContact O-CG 3.49Å; F509-R513 PolarHBondContact O-N 2.85Å; F509-R513 VanDerWaalsContact O-N 3.07Å; F509-R513 PolarHBondContact O-NE 3.44Å; F509-I638 HydrophobicContact CD1-CG2 4.03Å; F509-E642 HydrophobicContact CB-CB 4.28Å; F509-E642 VanDerWaalsContact CB-CD 3.49Å; F509-E642 HydrophobicContact CB-CG 4.07Å; F509-E642 WeakPolarHBondContact CB-OE2 3.31Å; F509-E642 HydrophobicContact CD1-CB 3.7Å; F509-E642 HydrophobicContact CD1-CG 4.24Å; F509-E642 HydrophobicContact CD2-CB 3.96Å; F509-E642 HydrophobicContact CD2-CG 3.6Å; F509-E642 HydrophobicContact CE1-CB 3.94Å; F509-E642 HydrophobicContact CE2-CB 4.19Å; F509-E642 HydrophobicContact CE2-CG 4.06Å; F509-E642 HydrophobicContact CG-CB 3.72Å; F509-E642 HydrophobicContact CG-CG 3.72Å; F509-E642 HydrophobicContact CZ-CB 4.18Å; F509-M645 HydrophobicContact CZ-CE 4.18Å
510K86.2Confident86.6Confident59 Ų5935.5 Ų35.526%0.25718%0.176SC..Hα-helixtrans-64.4-46.1172-72.5171.3173.9-154.60112T401 R506 C507 Y508 M512 R513 L514T401-K510 HydrophobicContact CG2-CB 4.37Å; T401-K510 WeakPolarHBondContact O-CD 3.36Å; T401-K510 WeakPolarHBondContact O-CE 3.22Å; T401-K510 PolarHBondContact O-NZ 2.86Å; R506-K510 WeakPolarHBondContact O-CB 3.48Å; R506-K510 WeakPolarHBondContact O-CD 3.44Å; R506-K510 WeakPolarHBondContact O-CG 3.37Å; R506-K510 PolarHBondContact O-N 2.91Å; R506-K510 VanDerWaalsContact O-N 3.1Å; C507-K510 WeakPolarHBondContact O-CB 3.34Å; C507-K510 PolarHBondContact O-N 2.79Å; Y508-K510 VanDerWaalsContact C-N 3.27Å; Y508-K510 PolarHBondContact O-N 2.99Å; K510-M512 VanDerWaalsContact C-N 3.34Å; K510-M512 PolarHBondContact O-N 3.43Å; K510-R513 PolarHBondContact O-N 3.11Å; K510-L514 PolarHBondContact O-N 3.44Å; K510-L514 VanDerWaalsContact O-N 3.09Å
511H89.2Confident87Confident32 Ų3232.5 Ų32.515%0.14816%0.163CC..Hα-helixtrans-58.8-45.7174.3-78.4-69.5000111.5P268 W403 C507 Y508 R513 L514 N515P268-H511 VanDerWaalsContact CB-CE1 3.47Å; P268-H511 WeakPolarHBondContact CB-CE1 3.49Å; P268-H511 VanDerWaalsContact CB-ND1 3.33Å; P268-H511 WeakPolarHBondContact CB-ND1 3.46Å; W403-H511 AromaticContact CH2-CD2 3.71Å; W403-H511 AromaticContact CH2-CE1 3.25Å; W403-H511 WeakPolarHBondContact CH2-CE1 3.26Å; W403-H511 AromaticContact CH2-CG 3.82Å; W403-H511 AromaticContact CH2-ND1 3.54Å; W403-H511 AromaticContact CH2-NE2 3.35Å; W403-H511 VanDerWaalsContact CH2-NE2 3.35Å; W403-H511 WeakPolarHBondContact CH2-NE2 3.38Å; W403-H511 AromaticContact CZ3-CE1 3.55Å; W403-H511 AromaticContact CZ3-ND1 3.52Å; C507-H511 PolarHBondContact O-CD2 2.72Å; C507-H511 PolarHBondContact O-N 2.98Å; Y508-H511 WeakPolarHBondContact O-CB 3.37Å; Y508-H511 PolarHBondContact O-N 3.26Å; Y508-H511 VanDerWaalsContact O-N 3.14Å; H511-R513 VanDerWaalsContact C-N 3.35Å; H511-R513 PolarHBondContact O-N 3.05Å; H511-L514 PolarHBondContact O-N 3.09Å; H511-N515 WeakPolarHBondContact O-CB 3.41Å; H511-N515 PolarHBondContact O-N 3.4Å; H511-N515 PolarHBondContact O-OD1 3.03Å
512M91.4Very high87.6Confident14 Ų1426.5 Ų26.57%0.06914%0.135CC..Hα-helixtrans-63.8-38.5-178.5-64.1-56.3126.800112.8D266 Y508 F509 K510 N515 S516 I638D266-M512 WeakPolarHBondContact O-CE 3.37Å; Y508-M512 HydrophobicContact CD1-CG 4.29Å; Y508-M512 HydrophobicContact CD2-CE 4.19Å; Y508-M512 HydrophobicContact CE1-CG 3.89Å; Y508-M512 HydrophobicContact CE2-CE 3.75Å; Y508-M512 HydrophobicContact CE2-CG 4.22Å; Y508-M512 HydrophobicContact CE2-SD 4.4Å; Y508-M512 WeakPolarHBondContact O-CG 3.46Å; Y508-M512 PolarHBondContact O-N 2.77Å; F509-M512 PolarHBondContact O-N 3.29Å; K510-M512 VanDerWaalsContact C-N 3.34Å; K510-M512 PolarHBondContact O-N 3.43Å; M512-N515 PolarHBondContact O-N 2.72Å; M512-S516 PolarHBondContact O-N 3.35Å; M512-S516 VanDerWaalsContact O-N 3.09Å; M512-S516 PolarHBondContact O-OG 2.96Å; M512-I638 HydrophobicContact CB-CD1 4.22Å; M512-I638 HydrophobicContact CB-CG2 4.11Å; M512-I638 WeakPolarHBondContact O-CD1 3.2Å
513R88.2Confident88.1Confident27 Ų2725.4 Ų25.410%0.10213%0.126CC..Hα-helixtrans-64.1-46174.3-74.3-178.4-80.3155.6-12.1111.9Y400 F509 K510 H511 N515 S516 F517 V635 I638 E642Y400-R513 PolarHBondContact O-NH1 2.87Å; F509-R513 WeakPolarHBondContact O-CG 3.49Å; F509-R513 PolarHBondContact O-N 2.85Å; F509-R513 VanDerWaalsContact O-N 3.07Å; F509-R513 PolarHBondContact O-NE 3.44Å; K510-R513 PolarHBondContact O-N 3.11Å; H511-R513 VanDerWaalsContact C-N 3.35Å; H511-R513 PolarHBondContact O-N 3.05Å; R513-N515 VanDerWaalsContact C-N 3.35Å; R513-N515 PolarHBondContact O-N 3.34Å; R513-S516 PolarHBondContact O-N 2.74Å; R513-F517 WeakPolarHBondContact O-CB 3.39Å; R513-F517 PolarHBondContact O-N 3.42Å; R513-V635 HydrophobicContact CB-CG1 4.36Å; R513-V635 HydrophobicContact CG-CG1 4.12Å; R513-I638 HydrophobicContact CG-CB 4.07Å; R513-I638 HydrophobicContact CG-CG2 3.65Å; R513-E642 IonicContact CZ-OE2 3.42Å; R513-E642 IonicContact NE-OE2 3.15Å; R513-E642 IonicContact NH2-OE2 3.91Å; R513-E642 PolarHBondContact NH2-OE2 3.08Å; R513-E642 VanDerWaalsContact NH2-OE2 3.16Å
514L86.9Confident88.4Confident2 Ų222.9 Ų22.91%0.0111%0.106CC..Hα-helixtrans-62.3-42176.4176.859.9000111.9A270 L394 T401 W403 L405 K510 H511 S516 F517 V518A270-L514 HydrophobicContact CB-CD2 3.59Å; L394-L514 HydrophobicContact CD2-CD1 4Å; T401-L514 HydrophobicContact CG2-CB 4.2Å; W403-L514 HydrophobicContact CE3-CD2 4.44Å; L405-L514 HydrophobicContact CD2-CD2 3.96Å; K510-L514 PolarHBondContact O-N 3.44Å; K510-L514 VanDerWaalsContact O-N 3.09Å; H511-L514 PolarHBondContact O-N 3.09Å; L514-S516 PolarHBondContact O-N 3.36Å; L514-F517 PolarHBondContact O-N 2.9Å; L514-V518 HydrophobicContact CD1-CG2 3.93Å; L514-V518 HydrophobicContact CG-CG2 4.42Å; L514-V518 WeakPolarHBondContact O-CG2 3.47Å; L514-V518 PolarHBondContact O-N 3.05Å
515N91.7Very high88.6Confident2 Ų220.5 Ų20.51%0.0119%0.094CC..Hα-helixtrans-57-50.3176.6-73.5-3.9000111.4F265 Y267 I269 H511 M512 R513 F517 V518 R519F265-N515 HydrophobicContact CD1-CB 4.45Å; Y267-N515 PolarHBondContact O-ND2 3.1Å; Y267-N515 PolarHBondContact O-OD1 3.16Å; I269-N515 WeakPolarHBondContact CB-OD1 3.46Å; I269-N515 HydrophobicContact CD1-CB 4.28Å; I269-N515 HydrophobicContact CG1-CB 4.46Å; I269-N515 WeakPolarHBondContact CG1-OD1 3.45Å; I269-N515 PolarHBondContact N-OD1 3.35Å; H511-N515 WeakPolarHBondContact O-CB 3.41Å; H511-N515 PolarHBondContact O-N 3.4Å; H511-N515 PolarHBondContact O-OD1 3.03Å; M512-N515 PolarHBondContact O-N 2.72Å; R513-N515 VanDerWaalsContact C-N 3.35Å; R513-N515 PolarHBondContact O-N 3.34Å; N515-F517 VanDerWaalsContact C-N 3.3Å; N515-F517 PolarHBondContact O-N 3.22Å; N515-V518 PolarHBondContact O-N 3.16Å; N515-R519 WeakPolarHBondContact O-CB 3.44Å; N515-R519 VanDerWaalsContact O-CD 3.31Å; N515-R519 WeakPolarHBondContact O-CD 3.46Å; N515-R519 WeakPolarHBondContact O-CG 3.44Å; N515-R519 PolarHBondContact O-N 3.41Å
516S89.6Confident88.7Confident11 Ų1121 Ų218%0.07710%0.096CC..Hα-helixtrans-61.3-41.9178.5-66.90000111.7M512 R513 L514 R519 E520 I638M512-S516 PolarHBondContact O-N 3.35Å; M512-S516 VanDerWaalsContact O-N 3.09Å; M512-S516 PolarHBondContact O-OG 2.96Å; R513-S516 PolarHBondContact O-N 2.74Å; L514-S516 PolarHBondContact O-N 3.36Å; S516-R519 PolarHBondContact O-N 3.1Å; S516-E520 WeakPolarHBondContact O-CG 3.48Å; S516-E520 PolarHBondContact O-N 3.04Å; S516-I638 WeakPolarHBondContact OG-CD1 3.49Å
517F85.9Confident89Confident24 Ų2415.7 Ų15.711%0.1058%0.076CC..Hα-helixtrans-62.9-49.4179.1-168-108.9000112.8S393 R513 L514 N515 R519 E520 V521 V629 V632 V635S393-F517 VanDerWaalsContact O-CE1 3.25Å; S393-F517 WeakPolarHBondContact O-CE1 3.29Å; S393-F517 WeakPolarHBondContact OG-CE1 3.21Å; R513-F517 WeakPolarHBondContact O-CB 3.39Å; R513-F517 PolarHBondContact O-N 3.42Å; L514-F517 PolarHBondContact O-N 2.9Å; N515-F517 VanDerWaalsContact C-N 3.3Å; N515-F517 PolarHBondContact O-N 3.22Å; F517-R519 VanDerWaalsContact C-N 3.32Å; F517-R519 PolarHBondContact O-N 3.08Å; F517-E520 PolarHBondContact O-N 3.42Å; F517-V521 PolarHBondContact O-N 2.88Å; F517-V629 HydrophobicContact CE2-CB 4.35Å; F517-V632 HydrophobicContact CD2-CG2 3.78Å; F517-V632 HydrophobicContact CE2-CG2 4.18Å; F517-V635 HydrophobicContact CB-CG2 4.45Å
518V88.2Confident89Confident3 Ų314.3 Ų14.32%0.0187%0.067CC..Hα-helixtrans-60.4-43.4176.7175.50000110.8I269 L273 L314 L514 N515 E520 V521 F522I269-V518 HydrophobicContact CD1-CB 4.49Å; I269-V518 HydrophobicContact CG2-CB 4.48Å; I269-V518 HydrophobicContact CG2-CG1 4.12Å; I269-V518 HydrophobicContact CG2-CG2 4.5Å; L273-V518 HydrophobicContact CD1-CG2 4.19Å; L314-V518 HydrophobicContact CD2-CG1 4.28Å; L514-V518 HydrophobicContact CD1-CG2 3.93Å; L514-V518 HydrophobicContact CG-CG2 4.42Å; L514-V518 WeakPolarHBondContact O-CG2 3.47Å; L514-V518 PolarHBondContact O-N 3.05Å; N515-V518 PolarHBondContact O-N 3.16Å; V518-E520 VanDerWaalsContact C-N 3.31Å; V518-E520 PolarHBondContact O-N 2.92Å; V518-V521 WeakPolarHBondContact O-CB 3.33Å; V518-V521 PolarHBondContact O-N 3.09Å; V518-F522 HydrophobicContact CG1-CD2 4.16Å; V518-F522 HydrophobicContact CG1-CE2 3.89Å; V518-F522 WeakPolarHBondContact O-CD2 3.45Å; V518-F522 PolarHBondContact O-N 2.98Å
519R92.1Very high88.8Confident16 Ų1614.7 Ų14.76%0.067%0.07CC..Hα-helixtrans-63-36.7-179.8-70.1167.169.7-173.56.9112.6L262 P263 I269 L314 N515 S516 F517 V521 F522 L523L262-R519 HydrophobicContact CD1-CB 3.9Å; P263-R519 VanDerWaalsContact O-CZ 3.24Å; P263-R519 PolarHBondContact O-NH1 3.34Å; P263-R519 PolarHBondContact O-NH2 3.21Å; I269-R519 HydrophobicContact CD1-CG 4.08Å; L314-R519 HydrophobicContact CD2-CG 3.89Å; N515-R519 WeakPolarHBondContact O-CB 3.44Å; N515-R519 VanDerWaalsContact O-CD 3.31Å; N515-R519 WeakPolarHBondContact O-CD 3.46Å; N515-R519 WeakPolarHBondContact O-CG 3.44Å; N515-R519 PolarHBondContact O-N 3.41Å; S516-R519 PolarHBondContact O-N 3.1Å; F517-R519 VanDerWaalsContact C-N 3.32Å; F517-R519 PolarHBondContact O-N 3.08Å; R519-V521 VanDerWaalsContact C-N 3.33Å; R519-F522 PolarHBondContact O-N 3.01Å; R519-L523 WeakPolarHBondContact O-CB 3.49Å; R519-L523 PolarHBondContact O-N 2.86Å
520E88.8Confident88.8Confident6 Ų614.7 Ų14.73%0.0287%0.07CC..Hα-helixtrans-67.6-32.5176.7-69.3-88.9-167.100112.3L262 S516 F517 V518 L523 N524 V629 V632 S634L262-E520 HydrophobicContact CD1-CG 3.97Å; S516-E520 WeakPolarHBondContact O-CG 3.48Å; S516-E520 PolarHBondContact O-N 3.04Å; F517-E520 PolarHBondContact O-N 3.42Å; V518-E520 VanDerWaalsContact C-N 3.31Å; V518-E520 PolarHBondContact O-N 2.92Å; E520-L523 PolarHBondContact O-N 3.28Å; E520-N524 WeakPolarHBondContact O-CB 3.14Å; E520-N524 VanDerWaalsContact O-CG 3.24Å; E520-N524 PolarHBondContact O-N 3.05Å; E520-N524 PolarHBondContact O-ND2 3.31Å; E520-N524 VanDerWaalsContact O-ND2 3.13Å; E520-V629 HydrophobicContact CB-CG1 4.45Å; E520-V632 HydrophobicContact CB-CG1 4.41Å; E520-V632 HydrophobicContact CB-CG2 3.98Å; E520-V632 HydrophobicContact CG-CB 4.43Å; E520-V632 HydrophobicContact CG-CG1 3.54Å; E520-V632 HydrophobicContact CG-CG2 4.01Å; E520-S634 PolarHBondContact OE1-OG 3.2Å
521V86.6Confident89Confident1 Ų112 Ų121%0.0066%0.058CC..Hα-helixtrans-58.9-48.9172.31770000110.7L386 Q389 L390 S393 F517 V518 R519 N524 R525 V629L386-V521 HydrophobicContact CD1-CG1 4.13Å; Q389-V521 HydrophobicContact CB-CG1 4.36Å; L390-V521 HydrophobicContact CD2-CG1 4.06Å; L390-V521 HydrophobicContact CG-CG1 4.46Å; S393-V521 WeakPolarHBondContact OG-CG2 3.49Å; F517-V521 PolarHBondContact O-N 2.88Å; V518-V521 WeakPolarHBondContact O-CB 3.33Å; V518-V521 PolarHBondContact O-N 3.09Å; R519-V521 VanDerWaalsContact C-N 3.33Å; V521-N524 PolarHBondContact O-N 3.37Å; V521-R525 PolarHBondContact O-N 3.08Å; V521-V629 HydrophobicContact CG2-CG2 4.34Å
522F91.4Very high88.8Confident4 Ų410.7 Ų10.72%0.0185%0.052CC..Hα-helixtrans-68.4-38178.1-73.7-88.2000112.7F281 Y285 L314 L386 L390 V518 R519 R525 F526F281-F522 HydrophobicContact CE1-CE1 4.33Å; F281-F522 HydrophobicContact CE1-CE2 4.41Å; F281-F522 AromaticContact CE1-CZ 3.62Å; F281-F522 HydrophobicContact CE1-CZ 3.62Å; F281-F522 HydrophobicContact CZ-CZ 4.26Å; Y285-F522 HydrophobicContact CD1-CD1 4.39Å; Y285-F522 AromaticContact CD1-CE1 3.95Å; Y285-F522 HydrophobicContact CD1-CE1 3.95Å; Y285-F522 HydrophobicContact CD2-CE1 4.49Å; Y285-F522 AromaticContact CE1-CD1 3.63Å; Y285-F522 HydrophobicContact CE1-CD1 3.63Å; Y285-F522 AromaticContact CE1-CE1 3.65Å; Y285-F522 HydrophobicContact CE1-CE1 3.65Å; Y285-F522 HydrophobicContact CE2-CD1 4.13Å; Y285-F522 HydrophobicContact CE2-CE1 4.25Å; Y285-F522 HydrophobicContact CG-CE1 4.36Å; Y285-F522 AromaticContact CZ-CD1 3.48Å; Y285-F522 VanDerWaalsContact CZ-CD1 3.48Å; Y285-F522 AromaticContact CZ-CE1 3.82Å; Y285-F522 WeakPolarHBondContact OH-CD1 3.39Å; L314-F522 HydrophobicContact CD1-CD2 4.43Å; L314-F522 HydrophobicContact CD1-CE2 4.17Å; L314-F522 HydrophobicContact CD1-CZ 4.48Å; L314-F522 HydrophobicContact CD2-CB 4.49Å; L314-F522 HydrophobicContact CD2-CD2 3.62Å; L314-F522 HydrophobicContact CD2-CE2 4.1Å; L314-F522 HydrophobicContact CD2-CG 4.16Å; L314-F522 HydrophobicContact CG-CD2 4.48Å; L386-F522 HydrophobicContact CD2-CE1 4.34Å; L390-F522 HydrophobicContact CD1-CZ 4.09Å; L390-F522 HydrophobicContact CD2-CE2 3.74Å; L390-F522 HydrophobicContact CD2-CZ 4.14Å; V518-F522 HydrophobicContact CG1-CD2 4.16Å; V518-F522 HydrophobicContact CG1-CE2 3.89Å; V518-F522 WeakPolarHBondContact O-CD2 3.45Å; V518-F522 PolarHBondContact O-N 2.98Å; R519-F522 PolarHBondContact O-N 3.01Å; F522-R525 WeakPolarHBondContact O-CB 3.14Å; F522-R525 PolarHBondContact O-N 2.95Å; F522-F526 WeakPolarHBondContact O-CD2 3.37Å; F522-F526 PolarHBondContact O-N 2.84Å
523L91.5Very high88.8Confident2 Ų210 Ų101%0.015%0.049CC..Hα-helixtrans-61.2-48.7174.8172.254.2000111.4L262 F316 R519 E520 R525 F526 L527 F604 R607L262-L523 HydrophobicContact CD2-CD2 4.03Å; F316-L523 HydrophobicContact CD1-CD1 3.82Å; F316-L523 HydrophobicContact CD1-CD2 4.2Å; F316-L523 HydrophobicContact CD1-CG 4.43Å; F316-L523 HydrophobicContact CE1-CD1 3.72Å; F316-L523 HydrophobicContact CE1-CD2 3.89Å; F316-L523 HydrophobicContact CE1-CG 4.4Å; R519-L523 WeakPolarHBondContact O-CB 3.49Å; R519-L523 PolarHBondContact O-N 2.86Å; E520-L523 PolarHBondContact O-N 3.28Å; L523-R525 PolarHBondContact O-N 2.85Å; L523-F526 PolarHBondContact O-N 2.86Å; L523-L527 HydrophobicContact CD1-CD1 4.31Å; L523-L527 HydrophobicContact CD1-CD2 4.31Å; L523-L527 HydrophobicContact CD1-CG 4.02Å; L523-L527 HydrophobicContact CG-CD1 4.13Å; L523-L527 HydrophobicContact CG-CG 4.32Å; L523-L527 WeakPolarHBondContact O-CG 3.34Å; L523-L527 PolarHBondContact O-N 3.43Å; L523-F604 HydrophobicContact CD1-CD2 3.63Å; L523-F604 HydrophobicContact CD1-CE2 3.98Å; L523-R607 HydrophobicContact CD2-CG 4.32Å
524N87.1Confident88.9Confident40 Ų4011 Ų1121%0.2146%0.056CC..Hα-helixtrans-58.6-33178.7-75.5-31.1000112.4E520 V521 L527 T528 V629E520-N524 WeakPolarHBondContact O-CB 3.14Å; E520-N524 VanDerWaalsContact O-CG 3.24Å; E520-N524 PolarHBondContact O-N 3.05Å; E520-N524 PolarHBondContact O-ND2 3.31Å; E520-N524 VanDerWaalsContact O-ND2 3.13Å; V521-N524 PolarHBondContact O-N 3.37Å; N524-L527 PolarHBondContact O-N 2.99Å; N524-T528 PolarHBondContact O-N 2.86Å; N524-T528 PolarHBondContact O-OG1 3.12Å; N524-V629 VanDerWaalsContact ND2-CG2 3.34Å; N524-V629 WeakPolarHBondContact ND2-CG2 3.46Å
525R86.7Confident88.9Confident19 Ų1915.2 Ų15.27%0.0728%0.076CC..Hα-helixtrans-62.4-47.1173-167.666.9178.8168.213.9112.2P381 D382 E385 V521 F522 L523 T528 V529P381-R525 PolarHBondContact O-NH2 3.17Å; D382-R525 IonicContact OD2-CZ 2.62Å; D382-R525 IonicContact OD2-NH1 3.95Å; D382-R525 PolarHBondContact OD2-NH1 3.14Å; D382-R525 IonicContact OD2-NH2 2.68Å; D382-R525 PolarHBondContact OD2-NH2 3.5Å; E385-R525 IonicContact OE2-NH1 3.62Å; E385-R525 PolarHBondContact OE2-NH1 2.84Å; V521-R525 PolarHBondContact O-N 3.08Å; F522-R525 WeakPolarHBondContact O-CB 3.14Å; F522-R525 PolarHBondContact O-N 2.95Å; L523-R525 PolarHBondContact O-N 2.85Å; R525-T528 PolarHBondContact O-N 2.81Å; R525-V529 WeakPolarHBondContact O-CG2 3.46Å; R525-V529 PolarHBondContact O-N 2.88Å
526F90.6Very high88.9Confident13 Ų1316.1 Ų16.16%0.0578%0.08CC..Hα-helixtrans-66.9-36.6175.4-73.1-58.3000112.9Y285 L289 F316 F318 F522 L523 T528 V529 L530 F576 F604Y285-F526 WeakPolarHBondContact OH-CE2 3.41Å; Y285-F526 WeakPolarHBondContact OH-CZ 3.31Å; L289-F526 HydrophobicContact CD1-CZ 4.09Å; L289-F526 HydrophobicContact CD2-CE1 4.28Å; L289-F526 HydrophobicContact CD2-CZ 3.61Å; F316-F526 WeakPolarHBondContact O-CD2 3.16Å; F318-F526 HydrophobicContact CD2-CE1 4.25Å; F318-F526 HydrophobicContact CD2-CE2 4.38Å; F318-F526 HydrophobicContact CD2-CZ 4.19Å; F318-F526 AromaticContact CE2-CD1 3.66Å; F318-F526 HydrophobicContact CE2-CD1 3.66Å; F318-F526 HydrophobicContact CE2-CD2 4.39Å; F318-F526 AromaticContact CE2-CE1 3.69Å; F318-F526 HydrophobicContact CE2-CE1 3.69Å; F318-F526 HydrophobicContact CE2-CE2 4.4Å; F318-F526 HydrophobicContact CE2-CG 4.03Å; F318-F526 HydrophobicContact CE2-CZ 4.09Å; F522-F526 WeakPolarHBondContact O-CD2 3.37Å; F522-F526 PolarHBondContact O-N 2.84Å; L523-F526 PolarHBondContact O-N 2.86Å; F526-T528 PolarHBondContact O-N 2.76Å; F526-V529 PolarHBondContact O-N 2.93Å; F526-L530 HydrophobicContact CB-CD1 4.44Å; F526-L530 WeakPolarHBondContact O-CB 3.25Å; F526-L530 WeakPolarHBondContact O-CG 3.45Å; F526-L530 PolarHBondContact O-N 2.8Å; F526-F576 HydrophobicContact CE1-CZ 4.35Å; F526-F604 HydrophobicContact CB-CE2 4.14Å
527L90.3Very high88.9Confident3 Ų317.3 Ų17.32%0.0169%0.085CC..Hα-helixtrans-59.7-36.2173.8-66174.2000111.7L523 N524 F531 F604 R607 L608 L611L523-L527 HydrophobicContact CD1-CD1 4.31Å; L523-L527 HydrophobicContact CD1-CD2 4.31Å; L523-L527 HydrophobicContact CD1-CG 4.02Å; L523-L527 HydrophobicContact CG-CD1 4.13Å; L523-L527 HydrophobicContact CG-CG 4.32Å; L523-L527 WeakPolarHBondContact O-CG 3.34Å; L523-L527 PolarHBondContact O-N 3.43Å; N524-L527 PolarHBondContact O-N 2.99Å; L527-F531 WeakPolarHBondContact O-CA 3.33Å; L527-F531 PolarHBondContact O-N 2.92Å; L527-F531 VanDerWaalsContact O-N 3.14Å; L527-F604 HydrophobicContact CD2-CD2 3.8Å; L527-F604 HydrophobicContact CD2-CE1 4.29Å; L527-F604 HydrophobicContact CD2-CE2 3.48Å; L527-F604 VanDerWaalsContact CD2-CE2 3.48Å; L527-F604 HydrophobicContact CD2-CG 4.34Å; L527-F604 HydrophobicContact CD2-CZ 3.75Å; L527-F604 HydrophobicContact CG-CE2 4.12Å; L527-R607 HydrophobicContact CD1-CB 3.78Å; L527-R607 HydrophobicContact CD2-CB 4.14Å; L527-L608 HydrophobicContact CD2-CB 3.76Å; L527-L608 HydrophobicContact CD2-CD1 4.26Å; L527-L611 HydrophobicContact CB-CD2 3.94Å
528T86.1Confident88.8Confident14 Ų1419.8 Ų19.89%0.08610%0.098CC..Hα-helixtrans-73.6-49.9178.1-54.60000111.2N524 R525 F526 L530 F531 T622 P623 C625N524-T528 PolarHBondContact O-N 2.86Å; N524-T528 PolarHBondContact O-OG1 3.12Å; R525-T528 PolarHBondContact O-N 2.81Å; F526-T528 PolarHBondContact O-N 2.76Å; T528-L530 VanDerWaalsContact C-N 3.3Å; T528-L530 PolarHBondContact O-N 3.33Å; T528-F531 WeakPolarHBondContact O-CB 3.1Å; T528-F531 PolarHBondContact O-N 3.21Å; T528-T622 HydrophobicContact CG2-CG2 4.36Å; T528-T622 WeakPolarHBondContact O-CG2 3.41Å; T528-P623 WeakPolarHBondContact CG2-O 3.46Å; T528-C625 HydrophobicContact CG2-CB 4.27Å
529V86.6Confident87.9Confident16 Ų1623 Ų2310%0.09713%0.132CC..Hα-helixtrans-63.9-36179.8171.10000111.9R525 F526 L573R525-V529 WeakPolarHBondContact O-CG2 3.46Å; R525-V529 PolarHBondContact O-N 2.88Å; F526-V529 PolarHBondContact O-N 2.93Å; V529-L573 HydrophobicContact CG1-CD2 3.65Å
530L90.2Very high86.6Confident1 Ų123.2 Ų23.21%0.00514%0.136CC..THydrogen-bonded Turntrans-102.725.1-178.6-56.6170.2000111.4F318 F526 T528 S532 Y533 F561 F582 F585 F604F318-L530 HydrophobicContact CE2-CD1 4.23Å; F318-L530 HydrophobicContact CZ-CD1 3.65Å; F526-L530 HydrophobicContact CB-CD1 4.44Å; F526-L530 WeakPolarHBondContact O-CB 3.25Å; F526-L530 WeakPolarHBondContact O-CG 3.45Å; F526-L530 PolarHBondContact O-N 2.8Å; T528-L530 VanDerWaalsContact C-N 3.3Å; T528-L530 PolarHBondContact O-N 3.33Å; L530-S532 PolarHBondContact O-N 2.75Å; L530-S532 VanDerWaalsContact O-N 3.13Å; L530-Y533 HydrophobicContact CB-CD1 4.18Å; L530-Y533 HydrophobicContact CB-CG 4.25Å; L530-Y533 WeakPolarHBondContact O-CD1 3.43Å; L530-Y533 PolarHBondContact O-N 3Å; L530-F561 HydrophobicContact CD2-CZ 4.32Å; L530-F582 HydrophobicContact CD2-CE2 4.16Å; L530-F585 HydrophobicContact CD1-CE1 4.45Å; L530-F604 HydrophobicContact CB-CZ 4.25Å; L530-F604 HydrophobicContact CD1-CZ 4.1Å
531F88.9Confident85.4Confident3 Ų327.9 Ų27.91%0.01318%0.175CC..THydrogen-bonded Turntrans-54.8-38.9-172.7-176.6-99.9000113.5L527 T528 L608 L611 R612 G616 T622 P623L527-F531 WeakPolarHBondContact O-CA 3.33Å; L527-F531 PolarHBondContact O-N 2.92Å; L527-F531 VanDerWaalsContact O-N 3.14Å; T528-F531 WeakPolarHBondContact O-CB 3.1Å; T528-F531 PolarHBondContact O-N 3.21Å; F531-L608 HydrophobicContact CD2-CD1 4.15Å; F531-L611 HydrophobicContact CD2-CD2 3.98Å; F531-L611 HydrophobicContact CD2-CG 4.42Å; F531-L611 HydrophobicContact CE2-CD2 4.21Å; F531-L611 HydrophobicContact CE2-CG 4.15Å; F531-R612 HydrophobicContact CD2-CG 4.44Å; F531-R612 HydrophobicContact CE1-CG 4.42Å; F531-R612 HydrophobicContact CE2-CB 4.49Å; F531-R612 HydrophobicContact CE2-CG 3.66Å; F531-R612 HydrophobicContact CZ-CB 4.4Å; F531-R612 HydrophobicContact CZ-CG 3.66Å; F531-R612 PolarHBondContact O-NE 3.23Å; F531-R612 VanDerWaalsContact O-NE 3.17Å; F531-R612 PolarHBondContact O-NH2 3.4Å; F531-G616 WeakPolarHBondContact CZ-O 3.43Å; F531-T622 HydrophobicContact CB-CG2 4.31Å; F531-P623 HydrophobicContact CD2-CG 3.76Å; F531-P623 HydrophobicContact CE2-CG 3.82Å; F531-P623 HydrophobicContact CG-CG 4.15Å; F531-P623 HydrophobicContact CZ-CG 4.26Å
532S86.9Confident84.8Confident4 Ų431.3 Ų31.33%0.02819%0.194CC..THydrogen-bonded Turntrans-113.213.3-177.152.50000113.7L530 D534 H535 F536L530-S532 PolarHBondContact O-N 2.75Å; L530-S532 VanDerWaalsContact O-N 3.13Å; S532-D534 PolarHBondContact O-N 3.22Å; S532-D534 VanDerWaalsContact O-N 3.09Å; S532-H535 WeakPolarHBondContact O-CB 3.3Å; S532-H535 PolarHBondContact O-N 2.99Å; S532-H535 VanDerWaalsContact O-N 3.08Å; S532-H535 PolarHBondContact O-ND1 2.97Å; S532-F536 WeakPolarHBondContact O-CD2 3.46Å; S532-F536 WeakPolarHBondContact O-CE2 3.01Å
533Y91.1Very high84.1Confident0 Ų035.8 Ų35.80%021%0.21CC..G310 helixtrans-55.8-35.2-168.185.1-75.4000114.5L530 H535 F536 I537 F556 F585 I586 K589 F604 D605 L608L530-Y533 HydrophobicContact CB-CD1 4.18Å; L530-Y533 HydrophobicContact CB-CG 4.25Å; L530-Y533 WeakPolarHBondContact O-CD1 3.43Å; L530-Y533 PolarHBondContact O-N 3Å; Y533-H535 PolarHBondContact O-N 2.9Å; Y533-F536 PolarHBondContact O-N 3.47Å; Y533-F536 VanDerWaalsContact O-N 3.1Å; Y533-I537 HydrophobicContact CD2-CD1 4.23Å; Y533-I537 HydrophobicContact CE2-CD1 3.97Å; Y533-F556 WeakPolarHBondContact O-CE2 3.3Å; Y533-F585 AromaticContact CD2-CE1 3.88Å; Y533-F585 HydrophobicContact CD2-CE1 3.88Å; Y533-F585 HydrophobicContact CE2-CD1 4.37Å; Y533-F585 AromaticContact CE2-CE1 3.44Å; Y533-F585 HydrophobicContact CE2-CE1 3.44Å; Y533-F585 VanDerWaalsContact CE2-CE1 3.44Å; Y533-F585 AromaticContact CE2-CZ 3.96Å; Y533-F585 HydrophobicContact CE2-CZ 3.96Å; Y533-F585 AromaticContact CZ-CE1 3.81Å; Y533-F585 AromaticContact CZ-CZ 3.85Å; Y533-I586 HydrophobicContact CD2-CD1 3.74Å; Y533-I586 HydrophobicContact CE2-CD1 4.06Å; Y533-K589 HydrophobicContact CE2-CB 4.45Å; Y533-K589 HydrophobicContact CE2-CG 4.07Å; Y533-K589 WeakPolarHBondContact OH-CD 3.34Å; Y533-K589 WeakPolarHBondContact OH-CE 3.23Å; Y533-K589 PolarHBondContact OH-NZ 3.49Å; Y533-F604 HydrophobicContact CE1-CE1 4.01Å; Y533-D605 PolarHBondContact OH-OD1 3.42Å; Y533-L608 HydrophobicContact CD1-CD2 4.05Å; Y533-L608 HydrophobicContact CE1-CD2 3.68Å
534D89.7Confident83.2Confident47 Ų4739 Ų3925%0.25124%0.238SC..G310 helixtrans-63.6-26.8-178.356.7-19.7000113.6S532 F536 I537 R612S532-D534 PolarHBondContact O-N 3.22Å; S532-D534 VanDerWaalsContact O-N 3.09Å; D534-F536 PolarHBondContact O-N 3.14Å; D534-I537 PolarHBondContact O-N 2.74Å; D534-R612 IonicContact OD1-CZ 2.71Å; D534-R612 IonicContact OD1-NH1 2.62Å; D534-R612 IonicContact OD1-NH2 3.08Å; D534-R612 PolarHBondContact OD1-NH2 3.34Å; D534-R612 IonicContact OD2-CZ 3.57Å; D534-R612 IonicContact OD2-NH1 2.87Å; D534-R612 PolarHBondContact OD2-NH1 3.36Å; D534-R612 IonicContact OD2-NH2 2.65Å; D534-R612 PolarHBondContact OD2-NH2 3.3Å; D534-R612 VanDerWaalsContact OD2-NH2 3.15Å
535H87.7Confident82.5Confident90 Ų9038.6 Ų38.642%0.41724%0.238SC..G310 helixtrans-69.8-18.7175.8-67.276.2000113.1S532 Y533S532-H535 WeakPolarHBondContact O-CB 3.3Å; S532-H535 PolarHBondContact O-N 2.99Å; S532-H535 VanDerWaalsContact O-N 3.08Å; S532-H535 PolarHBondContact O-ND1 2.97Å; Y533-H535 PolarHBondContact O-N 2.9Å
536F91Very high82Confident22 Ų2238 Ų3810%0.09624%0.235CC..G310 helixtrans-100.62.3-178.7-55.4-86.9000112.5S532 Y533 D534 I538 F556 D557 F561 D564S532-F536 WeakPolarHBondContact O-CD2 3.46Å; S532-F536 WeakPolarHBondContact O-CE2 3.01Å; Y533-F536 PolarHBondContact O-N 3.47Å; Y533-F536 VanDerWaalsContact O-N 3.1Å; D534-F536 PolarHBondContact O-N 3.14Å; F536-I538 PolarHBondContact O-N 2.77Å; F536-F556 HydrophobicContact CB-CD2 4.29Å; F536-F556 HydrophobicContact CB-CE1 4.29Å; F536-F556 HydrophobicContact CB-CE2 3.74Å; F536-F556 HydrophobicContact CB-CZ 3.73Å; F536-F556 HydrophobicContact CG-CZ 4.49Å; F536-F556 CarbonylContact O-C 3.38Å; F536-F556 WeakPolarHBondContact O-CA 3.07Å; F536-D557 PolarHBondContact O-N 3.44Å; F536-F561 HydrophobicContact CB-CB 4.26Å; F536-F561 HydrophobicContact CD1-CB 3.85Å; F536-F561 HydrophobicContact CD2-CB 4.28Å; F536-F561 AromaticContact CD2-CD2 3.55Å; F536-F561 HydrophobicContact CD2-CD2 3.55Å; F536-F561 HydrophobicContact CD2-CE2 4.43Å; F536-F561 HydrophobicContact CD2-CG 4.4Å; F536-F561 HydrophobicContact CE1-CB 4.22Å; F536-F561 AromaticContact CE2-CD2 3.7Å; F536-F561 HydrophobicContact CE2-CD2 3.7Å; F536-F561 HydrophobicContact CE2-CE2 4.45Å; F536-F561 HydrophobicContact CG-CB 3.86Å; F536-F561 HydrophobicContact CG-CD2 4.01Å; F536-F561 HydrophobicContact CG-CG 4.44Å; F536-F561 HydrophobicContact CZ-CD2 4.28Å; F536-D564 HydrophobicContact CZ-CB 4.35Å
537I90Very high81.2Confident36 Ų3640.3 Ų40.319%0.18525%0.251CS..BIsolated β-bridgetrans-76121.8173.9-62178.4000108.7Y533 D534 G539 F556 I586 K589 I590Y533-I537 HydrophobicContact CD2-CD1 4.23Å; Y533-I537 HydrophobicContact CE2-CD1 3.97Å; D534-I537 PolarHBondContact O-N 2.74Å; I537-G539 PolarHBondContact O-N 3.38Å; I537-F556 HydrophobicContact CG1-CD2 4.11Å; I537-F556 HydrophobicContact CG1-CE2 4.41Å; I537-I586 HydrophobicContact CD1-CD1 4.34Å; I537-I586 HydrophobicContact CG1-CD1 4.36Å; I537-I586 HydrophobicContact CG1-CG2 4.35Å; I537-K589 HydrophobicContact CD1-CB 4.09Å; I537-K589 HydrophobicContact CD1-CG 3.44Å; I537-K589 VanDerWaalsContact CD1-CG 3.44Å; I537-I590 HydrophobicContact CG2-CD1 3.85Å; I537-I590 HydrophobicContact CG2-CG1 3.57Å
538I83.8Confident80.3Confident76 Ų7644.6 Ų44.639%0.3928%0.281SS..  trans-80107.5177.7-62.2166.5000107.3F536 Q554 N555 D557F536-I538 PolarHBondContact O-N 2.77Å; I538-Q554 WeakPolarHBondContact CD1-O 3.4Å; I538-N555 PolarHBondContact N-O 2.8Å; I538-D557 HydrophobicContact CD1-CB 4.13Å; I538-D557 HydrophobicContact CG1-CB 4.28Å
539G68.5Low79.5Confident70 Ų7046 Ų4672%0.72229%0.291SS*.  trans-59.1138-17700000112.9I537I537-G539 PolarHBondContact O-N 3.38Å
540C65.1Low78.6Confident21 Ų2149.6 Ų49.614%0.14230%0.303CS..  trans-103.6132.8171.8-166.20000110S545 F546 M553 W594C540-S545 PolarHBondContact SG-OG 3.15Å; C540-F546 HydrophobicContact CB-CB 4.36Å; C540-F546 HydrophobicContact CB-CD2 4.16Å; C540-M553 HydrophobicContact CB-CE 4.32Å; C540-W594 HydrophobicContact CB-CH2 4.36Å
541A63.2Low77.4Confident103 Ų10357.4 Ų57.485%0.85135%0.345SS*.SBendtrans-71.2-33.6-172.600000113.3
542D74.3Confident76.5Confident74 Ų7461.9 Ų61.940%0.39638%0.377SS..  trans-142.5142.4-174.968.7-57.4000112.9A544 S545 F546D542-A544 VanDerWaalsContact C-N 3.3Å; D542-A544 PolarHBondContact O-N 3.09Å; D542-S545 PolarHBondContact O-N 2.87Å; D542-S545 PolarHBondContact O-OG 2.77Å; D542-S545 WeakPolarHBondContact OD1-CB 3.21Å; D542-S545 PolarHBondContact OD1-OG 3.48Å; D542-S545 WeakPolarHBondContact OD2-CB 3.27Å; D542-S545 PolarHBondContact OD2-N 3.14Å; D542-S545 PolarHBondContact OD2-OG 2.68Å; D542-F546 PolarHBondContact O-N 2.73Å
543R76.6Confident75.4Confident97 Ų9764.7 Ų64.737%0.36639%0.39SS..Hα-helixtrans-59.5-38.9-180178.6-176.3173158.110.1112.7F546 V547 W594 E595R543-F546 PolarHBondContact O-N 3.49Å; R543-V547 HydrophobicContact CG-CG2 4.43Å; R543-V547 WeakPolarHBondContact O-CG2 3.31Å; R543-V547 PolarHBondContact O-N 3.06Å; R543-W594 HydrophobicContact CB-CD2 4.23Å; R543-W594 HydrophobicContact CB-CE3 4.47Å; R543-E595 IonicContact CZ-OE1 3.8Å; R543-E595 IonicContact NH1-OE1 3.44Å; R543-E595 PolarHBondContact NH1-OE1 2.98Å; R543-E595 IonicContact NH2-OE1 2.74Å; R543-E595 PolarHBondContact NH2-OE1 2.94Å
544A72.4Confident74.8Confident71 Ų7172.5 Ų72.559%0.58743%0.426SS*.Hα-helixtrans-67.3-43.2-175.600000111.3D542 S548D542-A544 VanDerWaalsContact C-N 3.3Å; D542-A544 PolarHBondContact O-N 3.09Å; A544-S548 WeakPolarHBondContact O-CB 3.19Å; A544-S548 PolarHBondContact O-N 2.91Å; A544-S548 PolarHBondContact O-OG 3.09Å; A544-S548 VanDerWaalsContact O-OG 3.1Å
545S73.1Confident74.6Confident31 Ų3170.9 Ų70.922%0.21742%0.418CS..Hα-helixtrans-63.1-43.6173.173.50000111.9C540 D542 V547 S548 S549C540-S545 PolarHBondContact SG-OG 3.15Å; D542-S545 PolarHBondContact O-N 2.87Å; D542-S545 PolarHBondContact O-OG 2.77Å; D542-S545 WeakPolarHBondContact OD1-CB 3.21Å; D542-S545 PolarHBondContact OD1-OG 3.48Å; D542-S545 WeakPolarHBondContact OD2-CB 3.27Å; D542-S545 PolarHBondContact OD2-N 3.14Å; D542-S545 PolarHBondContact OD2-OG 2.68Å; S545-V547 PolarHBondContact O-N 3.08Å; S545-S548 WeakPolarHBondContact CA-OG 3.44Å; S545-S548 PolarHBondContact O-N 3.3Å; S545-S548 PolarHBondContact O-OG 3.22Å; S545-S549 VanDerWaalsContact O-CB 3.31Å; S545-S549 WeakPolarHBondContact O-CB 3.44Å; S545-S549 PolarHBondContact O-N 3.08Å; S545-S549 PolarHBondContact O-OG 2.84Å
546F75.8Confident74.7Confident5 Ų567.2 Ų67.22%0.02240%0.401CS..Hα-helixtrans-56-51.3177.8-179-100.1000111.9C540 D542 R543 S548 S549 R550 N555 D587 I590 I591 W594C540-F546 HydrophobicContact CB-CB 4.36Å; C540-F546 HydrophobicContact CB-CD2 4.16Å; D542-F546 PolarHBondContact O-N 2.73Å; R543-F546 PolarHBondContact O-N 3.49Å; F546-S548 VanDerWaalsContact C-N 3.33Å; F546-S548 PolarHBondContact O-N 2.98Å; F546-S549 PolarHBondContact O-N 3.13Å; F546-R550 WeakPolarHBondContact O-CA 3.28Å; F546-R550 WeakPolarHBondContact O-CB 3.49Å; F546-R550 PolarHBondContact O-N 3.38Å; F546-N555 VanDerWaalsContact CE2-ND2 3.26Å; F546-N555 WeakPolarHBondContact CE2-ND2 3.46Å; F546-D587 HydrophobicContact CZ-CB 4.35Å; F546-I590 HydrophobicContact CD2-CG2 3.98Å; F546-I590 HydrophobicContact CE2-CB 4.24Å; F546-I590 HydrophobicContact CE2-CD1 3.89Å; F546-I590 HydrophobicContact CE2-CG2 3.67Å; F546-I590 HydrophobicContact CZ-CB 4.27Å; F546-I590 HydrophobicContact CZ-CD1 4.39Å; F546-I590 HydrophobicContact CZ-CG2 3.99Å; F546-I591 HydrophobicContact CE1-CD1 4.3Å; F546-I591 HydrophobicContact CE1-CG1 4.01Å; F546-W594 HydrophobicContact CB-CH2 4.31Å; F546-W594 HydrophobicContact CD1-CZ3 4.36Å; F546-W594 HydrophobicContact CG-CH2 4.39Å; F546-W594 HydrophobicContact CG-CZ3 4.39Å
547V73.7Confident74.7Confident62 Ų6268.9 Ų68.938%0.37641%0.411SS..Hα-helixtrans-63.4-40.4179.6172.80000111.3R543 S545 Y722R543-V547 HydrophobicContact CG-CG2 4.43Å; R543-V547 WeakPolarHBondContact O-CG2 3.31Å; R543-V547 PolarHBondContact O-N 3.06Å; S545-V547 PolarHBondContact O-N 3.08Å; V547-Y722 HydrophobicContact CG1-CE1 4.17Å; V547-Y722 VanDerWaalsContact CG1-OH 3.31Å; V547-Y722 WeakPolarHBondContact CG1-OH 3.37Å; V547-Y722 HydrophobicContact CG2-CE1 4.29Å
548S71Confident74.8Confident93 Ų9370.1 Ų70.165%0.6542%0.415SS*.Hα-helixtrans-74.6-29.1-177.6680000114.3A544 S545 F546A544-S548 WeakPolarHBondContact O-CB 3.19Å; A544-S548 PolarHBondContact O-N 2.91Å; A544-S548 PolarHBondContact O-OG 3.09Å; A544-S548 VanDerWaalsContact O-OG 3.1Å; S545-S548 WeakPolarHBondContact CA-OG 3.44Å; S545-S548 PolarHBondContact O-N 3.3Å; S545-S548 PolarHBondContact O-OG 3.22Å; F546-S548 VanDerWaalsContact C-N 3.33Å; F546-S548 PolarHBondContact O-N 2.98Å
549S69.7Low75Confident43 Ų4372 Ų7230%0.30143%0.429SS..Hα-helixtrans-112.83.8-170.6-57.30000113.7S545 F546 D551 S552 M553S545-S549 VanDerWaalsContact O-CB 3.31Å; S545-S549 WeakPolarHBondContact O-CB 3.44Å; S545-S549 PolarHBondContact O-N 3.08Å; S545-S549 PolarHBondContact O-OG 2.84Å; F546-S549 PolarHBondContact O-N 3.13Å; S549-D551 VanDerWaalsContact C-N 3.31Å; S549-D551 PolarHBondContact O-N 3.25Å; S549-D551 VanDerWaalsContact O-N 3.14Å; S549-S552 PolarHBondContact O-N 3.3Å; S549-S552 PolarHBondContact O-OG 3.14Å; S549-M553 WeakPolarHBondContact O-CG 3.42Å; S549-M553 PolarHBondContact O-N 3.28Å; S549-M553 VanDerWaalsContact O-N 3.09Å
550R67.2Low76Confident93 Ų9370.9 Ų70.935%0.35141%0.41SS..G310 helixtrans-45.5-48.5-173.1-175.2-179.3172.1-139.61.1114F546 S552 M553 D587F546-R550 WeakPolarHBondContact O-CA 3.28Å; F546-R550 WeakPolarHBondContact O-CB 3.49Å; F546-R550 PolarHBondContact O-N 3.38Å; R550-S552 PolarHBondContact O-N 3.29Å; R550-S552 VanDerWaalsContact O-N 3.14Å; R550-M553 PolarHBondContact O-N 2.58Å; R550-D587 IonicContact CZ-OD2 3.98Å; R550-D587 IonicContact NE-OD2 3.29Å; R550-D587 PolarHBondContact NE-OD2 3.31Å; R550-D587 IonicContact NH2-OD2 3.45Å; R550-D587 PolarHBondContact NH2-OD2 2.92Å
551D65.8Low77.2Confident164 Ų16469.9 Ų69.988%0.87740%0.404SS*.G310 helixtrans-66.2-18.1-176.1-62.9-21000113.5S549S549-D551 VanDerWaalsContact C-N 3.31Å; S549-D551 PolarHBondContact O-N 3.25Å; S549-D551 VanDerWaalsContact O-N 3.14Å
552S69.3Low78.5Confident98 Ų9866.7 Ų66.769%0.68537%0.372SS*.G310 helixtrans-106.5-14.8-18068.10000113.9S549 R550S549-S552 PolarHBondContact O-N 3.3Å; S549-S552 PolarHBondContact O-OG 3.14Å; R550-S552 PolarHBondContact O-N 3.29Å; R550-S552 VanDerWaalsContact O-N 3.14Å
553M65.2Low79.2Confident63 Ų6367.9 Ų67.931%0.3139%0.386SS..  trans-83.3131.1-175.8-72.6-171.68200111.3C540 S549 R550 N555C540-M553 HydrophobicContact CB-CE 4.32Å; S549-M553 WeakPolarHBondContact O-CG 3.42Å; S549-M553 PolarHBondContact O-N 3.28Å; S549-M553 VanDerWaalsContact O-N 3.09Å; R550-M553 PolarHBondContact O-N 2.58Å; M553-N555 VanDerWaalsContact CB-OD1 3.31Å; M553-N555 WeakPolarHBondContact CB-OD1 3.5Å; M553-N555 PolarHBondContact O-N 2.87Å
554Q77.7Confident79.6Confident163 Ų16366 Ų6676%0.76238%0.383SS*.  trans-84.994163.6-67.7-174.5-8.500107.7I538 F556I538-Q554 WeakPolarHBondContact CD1-O 3.4Å; Q554-F556 PolarHBondContact O-N 2.97Å
555N84.5Confident80.2Confident14 Ų1463.2 Ų63.28%0.07536%0.358CS..  trans-77.8-7.5-176.9-70.7-21.9000113.7I538 F546 M553 I586 D587 I590I538-N555 PolarHBondContact N-O 2.8Å; F546-N555 VanDerWaalsContact CE2-ND2 3.26Å; F546-N555 WeakPolarHBondContact CE2-ND2 3.46Å; M553-N555 VanDerWaalsContact CB-OD1 3.31Å; M553-N555 WeakPolarHBondContact CB-OD1 3.5Å; M553-N555 PolarHBondContact O-N 2.87Å; N555-I586 HydrophobicContact CB-CG2 4.29Å; N555-D587 PolarHBondContact ND2-OD1 2.92Å; N555-D587 VanDerWaalsContact ND2-OD1 3.13Å; N555-I590 HydrophobicContact CB-CD1 3.63Å
556F91.2Very high80.8Confident12 Ų1264.8 Ų64.85%0.05337%0.368CS..BIsolated β-bridgetrans-140.3127.2-174.4-167.8-97.2000110.5Y533 F536 I537 Q554 K558 F561 L577 F582 I586Y533-F556 WeakPolarHBondContact O-CE2 3.3Å; F536-F556 HydrophobicContact CB-CD2 4.29Å; F536-F556 HydrophobicContact CB-CE1 4.29Å; F536-F556 HydrophobicContact CB-CE2 3.74Å; F536-F556 HydrophobicContact CB-CZ 3.73Å; F536-F556 HydrophobicContact CG-CZ 4.49Å; F536-F556 CarbonylContact O-C 3.38Å; F536-F556 WeakPolarHBondContact O-CA 3.07Å; I537-F556 HydrophobicContact CG1-CD2 4.11Å; I537-F556 HydrophobicContact CG1-CE2 4.41Å; Q554-F556 PolarHBondContact O-N 2.97Å; F556-K558 VanDerWaalsContact C-N 3.3Å; F556-K558 HydrophobicContact CD1-CG 3.96Å; F556-K558 PolarHBondContact O-N 3.09Å; F556-F561 HydrophobicContact CE1-CB 3.64Å; F556-F561 HydrophobicContact CE1-CD1 4.07Å; F556-F561 HydrophobicContact CE1-CD2 4.26Å; F556-F561 AromaticContact CE1-CG 3.72Å; F556-F561 HydrophobicContact CE1-CG 3.72Å; F556-F561 HydrophobicContact CZ-CB 3.96Å; F556-F561 HydrophobicContact CZ-CD1 4.32Å; F556-F561 AromaticContact CZ-CD2 3.8Å; F556-F561 HydrophobicContact CZ-CD2 3.8Å; F556-F561 HydrophobicContact CZ-CE2 4.38Å; F556-F561 AromaticContact CZ-CG 3.75Å; F556-F561 HydrophobicContact CZ-CG 3.75Å; F556-L577 HydrophobicContact CD1-CD2 4.48Å; F556-L577 HydrophobicContact CE1-CD2 3.97Å; F556-F582 AromaticContact CD1-CE1 3.9Å; F556-F582 HydrophobicContact CD1-CE1 3.9Å; F556-F582 AromaticContact CD1-CZ 3.98Å; F556-F582 HydrophobicContact CD1-CZ 3.98Å; F556-F582 HydrophobicContact CD2-CE1 4.35Å; F556-F582 HydrophobicContact CD2-CZ 4.05Å; F556-F582 HydrophobicContact CE1-CE1 4.17Å; F556-F582 AromaticContact CE1-CZ 3.81Å; F556-F582 HydrophobicContact CE1-CZ 3.81Å; F556-F582 AromaticContact CE2-CZ 3.87Å; F556-F582 HydrophobicContact CE2-CZ 3.87Å; F556-F582 HydrophobicContact CG-CE1 4Å; F556-F582 HydrophobicContact CG-CZ 4.1Å; F556-F582 AromaticContact CZ-CZ 3.76Å; F556-F582 HydrophobicContact CZ-CZ 3.76Å; F556-I586 HydrophobicContact CB-CG2 4.48Å; F556-I586 HydrophobicContact CD2-CD1 3.74Å; F556-I586 HydrophobicContact CD2-CG1 4.07Å; F556-I586 HydrophobicContact CD2-CG2 4.49Å; F556-I586 HydrophobicContact CE2-CD1 3.93Å
557D91Very high81.2Confident57 Ų5773 Ų7331%0.30541%0.406SS..  trans-77.681176-172-7.8000110.7F536 I538 V559 S560 F561F536-D557 PolarHBondContact O-N 3.44Å; I538-D557 HydrophobicContact CD1-CB 4.13Å; I538-D557 HydrophobicContact CG1-CB 4.28Å; D557-V559 VanDerWaalsContact C-N 3.25Å; D557-V559 PolarHBondContact O-N 3.35Å; D557-V559 PolarHBondContact OD1-N 3.14Å; D557-S560 VanDerWaalsContact CG-CB 3.44Å; D557-S560 PolarHBondContact OD1-N 2.85Å; D557-S560 VanDerWaalsContact OD1-N 3.08Å; D557-S560 PolarHBondContact OD1-OG 2.88Å; D557-S560 WeakPolarHBondContact OD2-CB 3.42Å; D557-S560 PolarHBondContact OD2-OG 2.66Å; D557-F561 WeakPolarHBondContact O-CB 3.22Å; D557-F561 PolarHBondContact O-N 3.19Å
558K91.5Very high81.7Confident63 Ų6374.5 Ų74.527%0.27442%0.419SS..Hα-helixtrans-58.1-36.5179.8-64.8177.3176.3-177.60112.5F556 L562 L577 E578F556-K558 VanDerWaalsContact C-N 3.3Å; F556-K558 HydrophobicContact CD1-CG 3.96Å; F556-K558 PolarHBondContact O-N 3.09Å; K558-L562 VanDerWaalsContact O-CB 3.29Å; K558-L562 WeakPolarHBondContact O-CB 3.4Å; K558-L562 WeakPolarHBondContact O-CG 3.37Å; K558-L562 PolarHBondContact O-N 2.94Å; K558-L577 HydrophobicContact CD-CB 4.47Å; K558-L577 VanDerWaalsContact CE-O 3.27Å; K558-L577 WeakPolarHBondContact CE-O 3.36Å; K558-L577 HydrophobicContact CG-CB 4.47Å; K558-L577 PolarHBondContact NZ-O 3.24Å; K558-E578 IonicContact NZ-OE1 2.75Å; K558-E578 PolarHBondContact NZ-OE1 3.25Å; K558-E578 IonicContact NZ-OE2 3.99Å; K558-E578 PolarHBondContact NZ-OE2 3.11Å
559V88.8Confident82.4Confident114 Ų11470.8 Ų70.869%0.69139%0.391SS*.Hα-helixtrans-70.8-48.9-174.2179.70000109.8D557 L562 S563D557-V559 VanDerWaalsContact C-N 3.25Å; D557-V559 PolarHBondContact O-N 3.35Å; D557-V559 PolarHBondContact OD1-N 3.14Å; V559-L562 PolarHBondContact O-N 3.04Å; V559-S563 WeakPolarHBondContact O-CB 3.42Å; V559-S563 PolarHBondContact O-N 3.3Å; V559-S563 PolarHBondContact O-OG 3.09Å
560S89Confident83.4Confident47 Ų4770.9 Ų70.933%0.32939%0.39SS..Hα-helixtrans-63.5-43.5176.8-61.80000111D557 S563 D564D557-S560 VanDerWaalsContact CG-CB 3.44Å; D557-S560 PolarHBondContact OD1-N 2.85Å; D557-S560 VanDerWaalsContact OD1-N 3.08Å; D557-S560 PolarHBondContact OD1-OG 2.88Å; D557-S560 WeakPolarHBondContact OD2-CB 3.42Å; D557-S560 PolarHBondContact OD2-OG 2.66Å; S560-S563 PolarHBondContact O-N 3.29Å; S560-S563 PolarHBondContact O-OG 2.92Å; S560-D564 PolarHBondContact O-N 3.34Å
561F90.9Very high84.6Confident1 Ų170.2 Ų70.20%0.00440%0.398CS..Hα-helixtrans-59.1-52.2177.1-179.6-99.2000111.6L530 F536 F556 D557 S563 D564 Q565 L577L530-F561 HydrophobicContact CD2-CZ 4.32Å; F536-F561 HydrophobicContact CB-CB 4.26Å; F536-F561 HydrophobicContact CD1-CB 3.85Å; F536-F561 HydrophobicContact CD2-CB 4.28Å; F536-F561 AromaticContact CD2-CD2 3.55Å; F536-F561 HydrophobicContact CD2-CD2 3.55Å; F536-F561 HydrophobicContact CD2-CE2 4.43Å; F536-F561 HydrophobicContact CD2-CG 4.4Å; F536-F561 HydrophobicContact CE1-CB 4.22Å; F536-F561 AromaticContact CE2-CD2 3.7Å; F536-F561 HydrophobicContact CE2-CD2 3.7Å; F536-F561 HydrophobicContact CE2-CE2 4.45Å; F536-F561 HydrophobicContact CG-CB 3.86Å; F536-F561 HydrophobicContact CG-CD2 4.01Å; F536-F561 HydrophobicContact CG-CG 4.44Å; F536-F561 HydrophobicContact CZ-CD2 4.28Å; F556-F561 HydrophobicContact CE1-CB 3.64Å; F556-F561 HydrophobicContact CE1-CD1 4.07Å; F556-F561 HydrophobicContact CE1-CD2 4.26Å; F556-F561 AromaticContact CE1-CG 3.72Å; F556-F561 HydrophobicContact CE1-CG 3.72Å; F556-F561 HydrophobicContact CZ-CB 3.96Å; F556-F561 HydrophobicContact CZ-CD1 4.32Å; F556-F561 AromaticContact CZ-CD2 3.8Å; F556-F561 HydrophobicContact CZ-CD2 3.8Å; F556-F561 HydrophobicContact CZ-CE2 4.38Å; F556-F561 AromaticContact CZ-CG 3.75Å; F556-F561 HydrophobicContact CZ-CG 3.75Å; D557-F561 WeakPolarHBondContact O-CB 3.22Å; D557-F561 PolarHBondContact O-N 3.19Å; F561-S563 VanDerWaalsContact C-N 3.27Å; F561-S563 PolarHBondContact O-N 3.2Å; F561-D564 PolarHBondContact O-N 3.49Å; F561-D564 VanDerWaalsContact O-N 3.16Å; F561-Q565 HydrophobicContact CD1-CG 4.35Å; F561-Q565 HydrophobicContact CE1-CG 4.07Å; F561-Q565 HydrophobicContact CZ-CG 4.38Å; F561-Q565 WeakPolarHBondContact O-CG 3.3Å; F561-L577 HydrophobicContact CD1-CD1 3.72Å; F561-L577 HydrophobicContact CD1-CD2 4.25Å; F561-L577 HydrophobicContact CE1-CD1 4.17Å; F561-L577 HydrophobicContact CE1-CD2 4.21Å
562L90.8Very high85.9Confident36 Ų3663 Ų6319%0.18836%0.359CS..Hα-helixtrans-64.7-29.5-179.1-71.1171.9000113.1K558 V559 D564 Q565 L573 A574 L577K558-L562 VanDerWaalsContact O-CB 3.29Å; K558-L562 WeakPolarHBondContact O-CB 3.4Å; K558-L562 WeakPolarHBondContact O-CG 3.37Å; K558-L562 PolarHBondContact O-N 2.94Å; V559-L562 PolarHBondContact O-N 3.04Å; L562-D564 PolarHBondContact O-N 2.64Å; L562-Q565 PolarHBondContact O-N 3.49Å; L562-L573 HydrophobicContact CD2-CB 3.7Å; L562-A574 HydrophobicContact CD1-CB 4.12Å; L562-L577 HydrophobicContact CD1-CD1 4.13Å; L562-L577 HydrophobicContact CD2-CD1 3.65Å; L562-L577 HydrophobicContact CG-CD1 3.72Å
563S87.7Confident87.1Confident98 Ų9858.3 Ų58.369%0.68533%0.326SS*.Hα-helixtrans-68.5-23.8177.574.10000113.6V559 S560 F561V559-S563 WeakPolarHBondContact O-CB 3.42Å; V559-S563 PolarHBondContact O-N 3.3Å; V559-S563 PolarHBondContact O-OG 3.09Å; S560-S563 PolarHBondContact O-N 3.29Å; S560-S563 PolarHBondContact O-OG 2.92Å; F561-S563 VanDerWaalsContact C-N 3.27Å; F561-S563 PolarHBondContact O-N 3.2Å
564D85.1Confident88.4Confident57 Ų5757.1 Ų57.131%0.30533%0.326SS..THydrogen-bonded Turntrans-87.1-10.8177.4-161.451.3000112.2F536 S560 F561 L562F536-D564 HydrophobicContact CZ-CB 4.35Å; S560-D564 PolarHBondContact O-N 3.34Å; F561-D564 PolarHBondContact O-N 3.49Å; F561-D564 VanDerWaalsContact O-N 3.16Å; L562-D564 PolarHBondContact O-N 2.64Å
565Q86.2Confident89.1Confident13 Ų1350.9 Ų50.96%0.06130%0.303CS..SBendtrans-89.4150.1-177.9-58.9-58.1-44.400112.8F561 L562 L573F561-Q565 HydrophobicContact CD1-CG 4.35Å; F561-Q565 HydrophobicContact CE1-CG 4.07Å; F561-Q565 HydrophobicContact CZ-CG 4.38Å; F561-Q565 WeakPolarHBondContact O-CG 3.3Å; L562-Q565 PolarHBondContact O-N 3.49Å; Q565-L573 HydrophobicContact CB-CD1 3.91Å; Q565-L573 HydrophobicContact CG-CD1 3.66Å
566P84.7Confident89.7Confident64 Ų6450.3 Ų50.342%0.41630%0.3SS..  trans-60137.9173.7-20.231.1000112.3S568 Q569 V570P566-S568 PolarHBondContact O-N 3.16Å; P566-Q569 HydrophobicContact CB-CG 4.26Å; P566-Q569 HydrophobicContact CG-CG 4.48Å; P566-Q569 PolarHBondContact O-N 2.83Å; P566-V570 PolarHBondContact O-N 3.11Å
567Q84.2Confident89.8Confident179 Ų17949.9 Ų49.984%0.83630%0.298SS*.THydrogen-bonded Turntrans-56.3-29.5-175.9-70.3-172.4-3.400114.2Q569Q567-Q569 PolarHBondContact O-N 3.28Å
568S84.3Confident89.9Confident92 Ų9253.2 Ų53.264%0.64331%0.312SS*.THydrogen-bonded Turntrans-65.5-24.2176.652.70000113.6P566P566-S568 PolarHBondContact O-N 3.16Å
569Q86.4Confident90Very high15 Ų1550.4 Ų50.47%0.0730%0.3CS..THydrogen-bonded Turntrans-98.4-21.3-175.6-50-169.61.200112.6P381 D382 P566 Q567 P571 F572 L573P381-Q569 HydrophobicContact CB-CB 4.05Å; P381-Q569 HydrophobicContact CB-CG 3.78Å; P381-Q569 HydrophobicContact CG-CB 4Å; P381-Q569 HydrophobicContact CG-CG 4.3Å; D382-Q569 PolarHBondContact OD1-NE2 2.89Å; D382-Q569 PolarHBondContact OD2-NE2 2.81Å; P566-Q569 HydrophobicContact CB-CG 4.26Å; P566-Q569 HydrophobicContact CG-CG 4.48Å; P566-Q569 PolarHBondContact O-N 2.83Å; Q567-Q569 PolarHBondContact O-N 3.28Å; Q569-P571 VanDerWaalsContact C-CD 3.49Å; Q569-F572 PolarHBondContact O-N 3.34Å; Q569-F572 VanDerWaalsContact O-N 3.15Å; Q569-L573 HydrophobicContact CB-CD1 3.92Å; Q569-L573 HydrophobicContact CB-CG 4.37Å; Q569-L573 WeakPolarHBondContact O-CG 3.46Å; Q569-L573 PolarHBondContact O-N 3.03Å
570V90.4Very high90.1Very high46 Ų4648.3 Ų48.328%0.27928%0.282SS..Hα-helixtrans-52.7-44.2-176.1174.40000113.6P566 F572 L573 A574P566-V570 PolarHBondContact O-N 3.11Å; V570-F572 VanDerWaalsContact C-N 3.3Å; V570-F572 PolarHBondContact O-N 3.37Å; V570-L573 PolarHBondContact O-N 3.08Å; V570-A574 WeakPolarHBondContact O-CB 3.38Å; V570-A574 PolarHBondContact O-N 3.47Å
571P91Very high90.2Very high79 Ų7946.1 Ų46.151%0.51327%0.267SS..Hα-helixtrans-60.2-38.8-179.4-25.235.2000113.4P378 Q569P378-P571 HydrophobicContact CB-CB 4.29Å; Q569-P571 VanDerWaalsContact C-CD 3.49Å
572F94.3Very high90.4Very high11 Ų1146.3 Ų46.35%0.04827%0.268CS..Hα-helixtrans-73.3-49.6176.3173-90.5000111T286 L289 L290 P378 L380 P381 Q569 V570 A574 A575 F576T286-F572 HydrophobicContact CG2-CD2 4.21Å; T286-F572 HydrophobicContact CG2-CE2 4Å; L289-F572 HydrophobicContact CB-CE2 4.44Å; L289-F572 HydrophobicContact CB-CZ 4.11Å; L289-F572 HydrophobicContact CD1-CZ 3.92Å; L290-F572 HydrophobicContact CD1-CD2 4.31Å; L290-F572 HydrophobicContact CD1-CE2 4.35Å; L290-F572 HydrophobicContact CD2-CD2 4.01Å; L290-F572 HydrophobicContact CD2-CE2 3.8Å; L290-F572 HydrophobicContact CD2-CZ 4.39Å; L290-F572 HydrophobicContact CG-CD2 4.34Å; L290-F572 HydrophobicContact CG-CE2 3.98Å; P378-F572 HydrophobicContact CB-CB 4.47Å; P378-F572 HydrophobicContact CG-CB 4.48Å; L380-F572 HydrophobicContact CD1-CD2 4.39Å; L380-F572 HydrophobicContact CD1-CE1 4.37Å; L380-F572 HydrophobicContact CD1-CE2 3.76Å; L380-F572 HydrophobicContact CD1-CZ 3.75Å; P381-F572 VanDerWaalsContact CD-CG 3.4Å; P381-F572 HydrophobicContact CG-CB 3.93Å; P381-F572 HydrophobicContact CG-CD1 3.48Å; P381-F572 VanDerWaalsContact CG-CD1 3.48Å; P381-F572 HydrophobicContact CG-CE1 4.23Å; P381-F572 HydrophobicContact CG-CG 3.84Å; Q569-F572 PolarHBondContact O-N 3.34Å; Q569-F572 VanDerWaalsContact O-N 3.15Å; V570-F572 VanDerWaalsContact C-N 3.3Å; V570-F572 PolarHBondContact O-N 3.37Å; F572-A574 VanDerWaalsContact C-N 3.33Å; F572-A574 PolarHBondContact O-N 3.4Å; F572-A575 PolarHBondContact O-N 3.24Å; F572-A575 VanDerWaalsContact O-N 3.12Å; F572-F576 HydrophobicContact CD1-CB 4.4Å; F572-F576 HydrophobicContact CE1-CB 4.02Å; F572-F576 HydrophobicContact CE1-CG 4.24Å; F572-F576 HydrophobicContact CZ-CB 4.36Å; F572-F576 HydrophobicContact CZ-CD2 4.42Å; F572-F576 WeakPolarHBondContact O-CB 3.41Å; F572-F576 PolarHBondContact O-N 3.11Å
573L93.4Very high90.5Very high1 Ų146.9 Ų46.91%0.00527%0.273CS..Hα-helixtrans-63.4-39.2-176.8-67.7176.1000111.8V529 L562 Q565 Q569 V570 A575 F576 L577V529-L573 HydrophobicContact CG1-CD2 3.65Å; L562-L573 HydrophobicContact CD2-CB 3.7Å; Q565-L573 HydrophobicContact CB-CD1 3.91Å; Q565-L573 HydrophobicContact CG-CD1 3.66Å; Q569-L573 HydrophobicContact CB-CD1 3.92Å; Q569-L573 HydrophobicContact CB-CG 4.37Å; Q569-L573 WeakPolarHBondContact O-CG 3.46Å; Q569-L573 PolarHBondContact O-N 3.03Å; V570-L573 PolarHBondContact O-N 3.08Å; L573-A575 VanDerWaalsContact C-N 3.28Å; L573-A575 PolarHBondContact O-N 2.6Å; L573-F576 PolarHBondContact O-N 3.45Å; L573-L577 WeakPolarHBondContact O-CB 3.21Å; L573-L577 WeakPolarHBondContact O-CG 3.13Å; L573-L577 PolarHBondContact O-N 3.42Å
574A93.5Very high90.6Very high37 Ų3743 Ų4331%0.30625%0.245SC..Hα-helixtrans-58.8-40.5175.100000111.8L562 V570 F572 E578L562-A574 HydrophobicContact CD1-CB 4.12Å; V570-A574 WeakPolarHBondContact O-CB 3.38Å; V570-A574 PolarHBondContact O-N 3.47Å; F572-A574 VanDerWaalsContact C-N 3.33Å; F572-A574 PolarHBondContact O-N 3.4Å; A574-E578 WeakPolarHBondContact O-CG 3.48Å
575A93.2Very high91Very high33 Ų3340.8 Ų40.827%0.27323%0.233SC..Hα-helixtrans-73.4-38.3175.100000112.3L290 F572 L573 E578L290-A575 HydrophobicContact CD2-CB 3.72Å; F572-A575 PolarHBondContact O-N 3.24Å; F572-A575 VanDerWaalsContact O-N 3.12Å; L573-A575 VanDerWaalsContact C-N 3.28Å; L573-A575 PolarHBondContact O-N 2.6Å; A575-E578 PolarHBondContact O-N 2.86Å
576F95.2Very high91.4Very high2 Ų240.3 Ų40.31%0.00923%0.231CC..Hα-helixtrans-65.5-39.3179.3179-107.2000113L289 L290 F318 F526 F572 L573 E578 T579 F582L289-F576 HydrophobicContact CB-CD2 4.37Å; L289-F576 HydrophobicContact CB-CE2 4.48Å; L289-F576 HydrophobicContact CD2-CE2 4.1Å; L289-F576 WeakPolarHBondContact O-CD2 3.36Å; L290-F576 HydrophobicContact CD2-CB 4.23Å; F318-F576 HydrophobicContact CD2-CZ 4.21Å; F318-F576 AromaticContact CE1-CZ 3.99Å; F318-F576 HydrophobicContact CE1-CZ 3.99Å; F318-F576 HydrophobicContact CE2-CE1 4.44Å; F318-F576 AromaticContact CE2-CZ 3.67Å; F318-F576 HydrophobicContact CE2-CZ 3.67Å; F318-F576 HydrophobicContact CZ-CE1 4.01Å; F318-F576 AromaticContact CZ-CZ 3.54Å; F318-F576 HydrophobicContact CZ-CZ 3.54Å; F526-F576 HydrophobicContact CE1-CZ 4.35Å; F572-F576 HydrophobicContact CD1-CB 4.4Å; F572-F576 HydrophobicContact CE1-CB 4.02Å; F572-F576 HydrophobicContact CE1-CG 4.24Å; F572-F576 HydrophobicContact CZ-CB 4.36Å; F572-F576 HydrophobicContact CZ-CD2 4.42Å; F572-F576 WeakPolarHBondContact O-CB 3.41Å; F572-F576 PolarHBondContact O-N 3.11Å; L573-F576 PolarHBondContact O-N 3.45Å; F576-E578 PolarHBondContact O-N 3.41Å; F576-T579 VanDerWaalsContact O-CB 3.28Å; F576-T579 WeakPolarHBondContact O-CB 3.19Å; F576-T579 VanDerWaalsContact O-CG2 3.22Å; F576-T579 WeakPolarHBondContact O-CG2 3.4Å; F576-T579 PolarHBondContact O-N 2.76Å; F576-T579 PolarHBondContact O-OG1 3.13Å; F576-F582 HydrophobicContact CD1-CD2 4.42Å; F576-F582 HydrophobicContact CE1-CB 4.39Å; F576-F582 AromaticContact CE1-CD2 3.81Å; F576-F582 HydrophobicContact CE1-CD2 3.81Å; F576-F582 HydrophobicContact CE1-CG 4.42Å; F576-F582 HydrophobicContact CZ-CD2 4.46Å
577L94.2Very high91.6Very high2 Ų237.6 Ų37.61%0.0121%0.213CC..THydrogen-bonded Turntrans-69.2-12.7177.8-65.2170.7000113.4F556 K558 F561 L562 L573 T579 F582F556-L577 HydrophobicContact CD1-CD2 4.48Å; F556-L577 HydrophobicContact CE1-CD2 3.97Å; K558-L577 HydrophobicContact CD-CB 4.47Å; K558-L577 VanDerWaalsContact CE-O 3.27Å; K558-L577 WeakPolarHBondContact CE-O 3.36Å; K558-L577 HydrophobicContact CG-CB 4.47Å; K558-L577 PolarHBondContact NZ-O 3.24Å; F561-L577 HydrophobicContact CD1-CD1 3.72Å; F561-L577 HydrophobicContact CD1-CD2 4.25Å; F561-L577 HydrophobicContact CE1-CD1 4.17Å; F561-L577 HydrophobicContact CE1-CD2 4.21Å; L562-L577 HydrophobicContact CD1-CD1 4.13Å; L562-L577 HydrophobicContact CD2-CD1 3.65Å; L562-L577 HydrophobicContact CG-CD1 3.72Å; L573-L577 WeakPolarHBondContact O-CB 3.21Å; L573-L577 WeakPolarHBondContact O-CG 3.13Å; L573-L577 PolarHBondContact O-N 3.42Å; L577-T579 VanDerWaalsContact C-N 3.34Å; L577-F582 HydrophobicContact CB-CD1 4.45Å; L577-F582 HydrophobicContact CD2-CD1 3.83Å; L577-F582 HydrophobicContact CD2-CD2 4.06Å; L577-F582 HydrophobicContact CD2-CE1 3.36Å; L577-F582 HydrophobicContact CD2-CE2 3.61Å; L577-F582 HydrophobicContact CD2-CG 4.16Å; L577-F582 HydrophobicContact CD2-CZ 3.24Å
578E92.9Very high91.9Very high128 Ų12831.1 Ų31.160%0.59819%0.188SC*.THydrogen-bonded Turntrans-87.4-3172.3-63.1-55.3143.600113.1K558 A574 A575 F576K558-E578 IonicContact NZ-OE1 2.75Å; K558-E578 PolarHBondContact NZ-OE1 3.25Å; K558-E578 IonicContact NZ-OE2 3.99Å; K558-E578 PolarHBondContact NZ-OE2 3.11Å; A574-E578 WeakPolarHBondContact O-CG 3.48Å; A575-E578 PolarHBondContact O-N 2.86Å; F576-E578 PolarHBondContact O-N 3.41Å
579T93.4Very high92.2Very high4 Ų428.9 Ų28.93%0.02517%0.166CC..SBendtrans-76.9147.7-177.165.90000112.5L289 E291 F576 L577 M581 F582 T583L289-T579 WeakPolarHBondContact O-CG2 3.39Å; E291-T579 HydrophobicContact CB-CG2 4.39Å; E291-T579 VanDerWaalsContact CD-CB 3.4Å; E291-T579 HydrophobicContact CG-CG2 3.87Å; F576-T579 VanDerWaalsContact O-CB 3.28Å; F576-T579 WeakPolarHBondContact O-CB 3.19Å; F576-T579 VanDerWaalsContact O-CG2 3.22Å; F576-T579 WeakPolarHBondContact O-CG2 3.4Å; F576-T579 PolarHBondContact O-N 2.76Å; F576-T579 PolarHBondContact O-OG1 3.13Å; L577-T579 VanDerWaalsContact C-N 3.34Å; T579-M581 VanDerWaalsContact C-N 3.28Å; T579-M581 PolarHBondContact O-N 2.76Å; T579-F582 PolarHBondContact O-N 2.75Å; T579-F582 WeakPolarHBondContact OG1-CB 3.44Å; T579-F582 PolarHBondContact OG1-N 3.12Å; T579-T583 PolarHBondContact O-N 2.66Å; T579-T583 VanDerWaalsContact O-N 3.09Å; T579-T583 PolarHBondContact O-OG1 2.86Å
580Q90.6Very high92.4Very high70 Ų7028.8 Ų28.833%0.32717%0.166SC..Hα-helixtrans-65.8-33173.9-171.260.132.300111.5E291 Q321 T583 S584E291-Q580 WeakPolarHBondContact OE1-CA 3.33Å; E291-Q580 WeakPolarHBondContact OE1-CB 3.38Å; E291-Q580 PolarHBondContact OE1-N 3.25Å; E291-Q580 PolarHBondContact OE2-N 2.96Å; Q321-Q580 HydrophobicContact CB-CB 4.05Å; Q321-Q580 HydrophobicContact CB-CG 3.71Å; Q321-Q580 HydrophobicContact CG-CB 4.22Å; Q321-Q580 HydrophobicContact CG-CG 3.86Å; Q580-T583 PolarHBondContact O-N 3.45Å; Q580-S584 VanDerWaalsContact O-CB 3.31Å; Q580-S584 WeakPolarHBondContact O-CB 3.1Å; Q580-S584 PolarHBondContact O-N 3.45Å; Q580-S584 PolarHBondContact O-OG 3.39Å
581M92.7Very high92.3Very high1 Ų128.8 Ų28.81%0.00516%0.164CC..Hα-helixtrans-57.8-50.8173.6-74.5-163.8-68.500111.8I288 E291 L315 F318 R319 W320 Q321 T579 S584 F585I288-M581 WeakPolarHBondContact O-CE 3.17Å; E291-M581 HydrophobicContact CG-CE 3.81Å; E291-M581 HydrophobicContact CG-CG 4.49Å; E291-M581 VanDerWaalsContact OE1-CG 3.25Å; E291-M581 WeakPolarHBondContact OE1-CG 3.27Å; E291-M581 PolarHBondContact OE1-N 2.84Å; L315-M581 HydrophobicContact CD1-SD 3.91Å; F318-M581 HydrophobicContact CB-CB 4.28Å; F318-M581 HydrophobicContact CB-SD 4.32Å; F318-M581 HydrophobicContact CD1-CB 4.49Å; R319-M581 WeakPolarHBondContact O-CG 3.29Å; W320-M581 HydrophobicContact CE3-CE 4.08Å; W320-M581 HydrophobicContact CE3-SD 3.9Å; W320-M581 HydrophobicContact CZ3-CE 4.22Å; Q321-M581 HydrophobicContact CG-CG 4.02Å; T579-M581 VanDerWaalsContact C-N 3.28Å; T579-M581 PolarHBondContact O-N 2.76Å; M581-S584 PolarHBondContact O-N 3.23Å; M581-F585 PolarHBondContact O-N 2.86Å
582F95Very high92.2Very high4 Ų426.5 Ų26.52%0.01815%0.15CC..Hα-helixtrans-63.7-46.2177.2179.1-98.9000111.3F318 L530 F556 F576 L577 T579 S584 F585 I586F318-F582 HydrophobicContact CE1-CD2 4.14Å; F318-F582 HydrophobicContact CZ-CD2 4.48Å; L530-F582 HydrophobicContact CD2-CE2 4.16Å; F556-F582 AromaticContact CD1-CE1 3.9Å; F556-F582 HydrophobicContact CD1-CE1 3.9Å; F556-F582 AromaticContact CD1-CZ 3.98Å; F556-F582 HydrophobicContact CD1-CZ 3.98Å; F556-F582 HydrophobicContact CD2-CE1 4.35Å; F556-F582 HydrophobicContact CD2-CZ 4.05Å; F556-F582 HydrophobicContact CE1-CE1 4.17Å; F556-F582 AromaticContact CE1-CZ 3.81Å; F556-F582 HydrophobicContact CE1-CZ 3.81Å; F556-F582 AromaticContact CE2-CZ 3.87Å; F556-F582 HydrophobicContact CE2-CZ 3.87Å; F556-F582 HydrophobicContact CG-CE1 4Å; F556-F582 HydrophobicContact CG-CZ 4.1Å; F556-F582 AromaticContact CZ-CZ 3.76Å; F556-F582 HydrophobicContact CZ-CZ 3.76Å; F576-F582 HydrophobicContact CD1-CD2 4.42Å; F576-F582 HydrophobicContact CE1-CB 4.39Å; F576-F582 AromaticContact CE1-CD2 3.81Å; F576-F582 HydrophobicContact CE1-CD2 3.81Å; F576-F582 HydrophobicContact CE1-CG 4.42Å; F576-F582 HydrophobicContact CZ-CD2 4.46Å; L577-F582 HydrophobicContact CB-CD1 4.45Å; L577-F582 HydrophobicContact CD2-CD1 3.83Å; L577-F582 HydrophobicContact CD2-CD2 4.06Å; L577-F582 HydrophobicContact CD2-CE1 3.36Å; L577-F582 HydrophobicContact CD2-CE2 3.61Å; L577-F582 HydrophobicContact CD2-CG 4.16Å; L577-F582 HydrophobicContact CD2-CZ 3.24Å; T579-F582 PolarHBondContact O-N 2.75Å; T579-F582 WeakPolarHBondContact OG1-CB 3.44Å; T579-F582 PolarHBondContact OG1-N 3.12Å; F582-S584 VanDerWaalsContact C-N 3.3Å; F582-S584 PolarHBondContact O-N 3.43Å; F582-F585 WeakPolarHBondContact O-CB 3.36Å; F582-F585 PolarHBondContact O-N 2.79Å; F582-F585 VanDerWaalsContact O-N 3.11Å; F582-I586 HydrophobicContact CD1-CG1 4.14Å; F582-I586 HydrophobicContact CE1-CD1 4.21Å; F582-I586 HydrophobicContact CE1-CG1 3.59Å; F582-I586 HydrophobicContact CE2-CD1 4.05Å; F582-I586 HydrophobicContact CE2-CG1 4.13Å; F582-I586 HydrophobicContact CZ-CD1 3.67Å; F582-I586 HydrophobicContact CZ-CG1 3.59Å; F582-I586 WeakPolarHBondContact O-CG1 3.4Å; F582-I586 PolarHBondContact O-N 2.63Å
583T92.3Very high91.9Very high49 Ų4929.7 Ų29.730%0.30118%0.178SC..Hα-helixtrans-56.6-45.4178-57.20000111.6T579 Q580 F585 I586 D587T579-T583 PolarHBondContact O-N 2.66Å; T579-T583 VanDerWaalsContact O-N 3.09Å; T579-T583 PolarHBondContact O-OG1 2.86Å; Q580-T583 PolarHBondContact O-N 3.45Å; T583-F585 VanDerWaalsContact C-N 3.33Å; T583-F585 PolarHBondContact O-N 3.28Å; T583-I586 PolarHBondContact O-N 3.27Å; T583-D587 VanDerWaalsContact O-CG 3.26Å; T583-D587 PolarHBondContact O-N 2.7Å
584S90.1Very high91.5Very high15 Ų1534.2 Ų34.211%0.10520%0.195CC..Hα-helixtrans-67.6-32179-54.20000112.8Q580 M581 F582 S588Q580-S584 VanDerWaalsContact O-CB 3.31Å; Q580-S584 WeakPolarHBondContact O-CB 3.1Å; Q580-S584 PolarHBondContact O-N 3.45Å; Q580-S584 PolarHBondContact O-OG 3.39Å; M581-S584 PolarHBondContact O-N 3.23Å; F582-S584 VanDerWaalsContact C-N 3.3Å; F582-S584 PolarHBondContact O-N 3.43Å; S584-S588 WeakPolarHBondContact O-CB 3.43Å; S584-S588 PolarHBondContact O-N 3.3Å; S584-S588 PolarHBondContact O-OG 2.99Å
585F94Very high91.3Very high12 Ų1235 Ų355%0.05319%0.193CC..Hα-helixtrans-66.4-45.6173173-100.3000111.6P317 F318 L530 Y533 M581 F582 T583 S588 K589 L601 F604P317-F585 HydrophobicContact CB-CD2 4.33Å; P317-F585 HydrophobicContact CB-CE2 3.97Å; P317-F585 HydrophobicContact CG-CD2 4.04Å; P317-F585 HydrophobicContact CG-CE2 3.62Å; P317-F585 HydrophobicContact CG-CZ 4.25Å; F318-F585 HydrophobicContact CD1-CB 3.73Å; F318-F585 HydrophobicContact CD1-CG 4.09Å; F318-F585 HydrophobicContact CE1-CB 3.66Å; F318-F585 AromaticContact CE1-CD1 3.86Å; F318-F585 HydrophobicContact CE1-CD1 3.86Å; F318-F585 HydrophobicContact CE1-CD2 4.3Å; F318-F585 AromaticContact CE1-CG 3.68Å; F318-F585 HydrophobicContact CE1-CG 3.68Å; F318-F585 HydrophobicContact CZ-CD1 4.46Å; L530-F585 HydrophobicContact CD1-CE1 4.45Å; Y533-F585 AromaticContact CD2-CE1 3.88Å; Y533-F585 HydrophobicContact CD2-CE1 3.88Å; Y533-F585 HydrophobicContact CE2-CD1 4.37Å; Y533-F585 AromaticContact CE2-CE1 3.44Å; Y533-F585 HydrophobicContact CE2-CE1 3.44Å; Y533-F585 VanDerWaalsContact CE2-CE1 3.44Å; Y533-F585 AromaticContact CE2-CZ 3.96Å; Y533-F585 HydrophobicContact CE2-CZ 3.96Å; Y533-F585 AromaticContact CZ-CE1 3.81Å; Y533-F585 AromaticContact CZ-CZ 3.85Å; M581-F585 PolarHBondContact O-N 2.86Å; F582-F585 WeakPolarHBondContact O-CB 3.36Å; F582-F585 PolarHBondContact O-N 2.79Å; F582-F585 VanDerWaalsContact O-N 3.11Å; T583-F585 VanDerWaalsContact C-N 3.33Å; T583-F585 PolarHBondContact O-N 3.28Å; F585-S588 WeakPolarHBondContact O-CB 3.4Å; F585-S588 PolarHBondContact O-N 3.42Å; F585-K589 PolarHBondContact O-N 3.03Å; F585-L601 HydrophobicContact CD2-CD1 4.39Å; F585-L601 HydrophobicContact CE2-CD1 3.63Å; F585-L601 HydrophobicContact CZ-CD1 3.98Å; F585-F604 HydrophobicContact CE2-CD1 4.18Å; F585-F604 HydrophobicContact CE2-CE1 4.49Å; F585-F604 AromaticContact CZ-CD1 3.81Å; F585-F604 HydrophobicContact CZ-CD1 3.81Å; F585-F604 AromaticContact CZ-CE1 3.76Å; F585-F604 HydrophobicContact CZ-CE1 3.76Å; F585-F604 HydrophobicContact CZ-CZ 4.43Å
586I93.2Very high91Very high3 Ų338.8 Ų38.82%0.01522%0.217CC..Hα-helixtrans-63.2-43.8174.9-62.4-55.5000111.1Y533 I537 N555 F556 F582 T583 S588 K589 I590Y533-I586 HydrophobicContact CD2-CD1 3.74Å; Y533-I586 HydrophobicContact CE2-CD1 4.06Å; I537-I586 HydrophobicContact CD1-CD1 4.34Å; I537-I586 HydrophobicContact CG1-CD1 4.36Å; I537-I586 HydrophobicContact CG1-CG2 4.35Å; N555-I586 HydrophobicContact CB-CG2 4.29Å; F556-I586 HydrophobicContact CB-CG2 4.48Å; F556-I586 HydrophobicContact CD2-CD1 3.74Å; F556-I586 HydrophobicContact CD2-CG1 4.07Å; F556-I586 HydrophobicContact CD2-CG2 4.49Å; F556-I586 HydrophobicContact CE2-CD1 3.93Å; F582-I586 HydrophobicContact CD1-CG1 4.14Å; F582-I586 HydrophobicContact CE1-CD1 4.21Å; F582-I586 HydrophobicContact CE1-CG1 3.59Å; F582-I586 HydrophobicContact CE2-CD1 4.05Å; F582-I586 HydrophobicContact CE2-CG1 4.13Å; F582-I586 HydrophobicContact CZ-CD1 3.67Å; F582-I586 HydrophobicContact CZ-CG1 3.59Å; F582-I586 WeakPolarHBondContact O-CG1 3.4Å; F582-I586 PolarHBondContact O-N 2.63Å; T583-I586 PolarHBondContact O-N 3.27Å; I586-S588 VanDerWaalsContact C-N 3.28Å; I586-S588 PolarHBondContact O-N 3.44Å; I586-K589 WeakPolarHBondContact O-CA 3.3Å; I586-K589 WeakPolarHBondContact O-CB 3.22Å; I586-K589 PolarHBondContact O-N 3.37Å; I586-I590 HydrophobicContact CG2-CD1 3.84Å; I586-I590 HydrophobicContact CG2-CG1 4.39Å; I586-I590 WeakPolarHBondContact O-CG1 3.16Å; I586-I590 PolarHBondContact O-N 3.33Å
587D88.9Confident90.7Very high7 Ų741 Ų414%0.03723%0.231CC..Hα-helixtrans-59.3-41.3176.1-70.9-20.4000111.4F546 R550 N555 T583 K589 I590 I591F546-D587 HydrophobicContact CZ-CB 4.35Å; R550-D587 IonicContact CZ-OD2 3.98Å; R550-D587 IonicContact NE-OD2 3.29Å; R550-D587 PolarHBondContact NE-OD2 3.31Å; R550-D587 IonicContact NH2-OD2 3.45Å; R550-D587 PolarHBondContact NH2-OD2 2.92Å; N555-D587 PolarHBondContact ND2-OD1 2.92Å; N555-D587 VanDerWaalsContact ND2-OD1 3.13Å; T583-D587 VanDerWaalsContact O-CG 3.26Å; T583-D587 PolarHBondContact O-N 2.7Å; D587-K589 VanDerWaalsContact C-N 3.28Å; D587-K589 PolarHBondContact O-N 3.03Å; D587-I590 PolarHBondContact O-N 3.16Å; D587-I591 WeakPolarHBondContact O-CB 3.4Å; D587-I591 VanDerWaalsContact O-CG1 3.23Å; D587-I591 WeakPolarHBondContact O-CG1 3.47Å; D587-I591 PolarHBondContact O-N 2.91Å
588S90.3Very high90.5Very high43 Ų4343 Ų4330%0.30124%0.242SC..Hα-helixtrans-61.8-36.7175.6-59.10000112S584 F585 I586 S592 L601S584-S588 WeakPolarHBondContact O-CB 3.43Å; S584-S588 PolarHBondContact O-N 3.3Å; S584-S588 PolarHBondContact O-OG 2.99Å; F585-S588 WeakPolarHBondContact O-CB 3.4Å; F585-S588 PolarHBondContact O-N 3.42Å; I586-S588 VanDerWaalsContact C-N 3.28Å; I586-S588 PolarHBondContact O-N 3.44Å; S588-S592 WeakPolarHBondContact O-CB 3.35Å; S588-S592 PolarHBondContact O-N 3.46Å; S588-S592 VanDerWaalsContact O-N 3.08Å; S588-L601 WeakPolarHBondContact O-CD2 3.28Å
589K92.2Very high90.3Very high45 Ų4540.2 Ų40.220%0.19624%0.235CC..Hα-helixtrans-71.2-34.3175.9-178.362171.6-152.30113.1Y533 I537 F585 I586 D587 S592 L601 D605Y533-K589 HydrophobicContact CE2-CB 4.45Å; Y533-K589 HydrophobicContact CE2-CG 4.07Å; Y533-K589 WeakPolarHBondContact OH-CD 3.34Å; Y533-K589 WeakPolarHBondContact OH-CE 3.23Å; Y533-K589 PolarHBondContact OH-NZ 3.49Å; I537-K589 HydrophobicContact CD1-CB 4.09Å; I537-K589 HydrophobicContact CD1-CG 3.44Å; I537-K589 VanDerWaalsContact CD1-CG 3.44Å; F585-K589 PolarHBondContact O-N 3.03Å; I586-K589 WeakPolarHBondContact O-CA 3.3Å; I586-K589 WeakPolarHBondContact O-CB 3.22Å; I586-K589 PolarHBondContact O-N 3.37Å; D587-K589 VanDerWaalsContact C-N 3.28Å; D587-K589 PolarHBondContact O-N 3.03Å; K589-S592 PolarHBondContact O-OG 2.97Å; K589-L601 HydrophobicContact CB-CD1 4.41Å; K589-L601 HydrophobicContact CB-CD2 4.15Å; K589-L601 HydrophobicContact CD-CD1 4.25Å; K589-L601 HydrophobicContact CD-CD2 4.1Å; K589-D605 IonicContact NZ-OD1 3.6Å; K589-D605 PolarHBondContact NZ-OD1 3.15Å; K589-D605 IonicContact NZ-OD2 3.74Å; K589-D605 PolarHBondContact NZ-OD2 2.79Å
590I89.4Confident90.2Very high13 Ų1341.4 Ų41.47%0.06724%0.241CC..Hα-helixtrans-71.8-44.8175.2-66.6168.1000109.9I537 F546 N555 I586 D587 S592 A593 W594I537-I590 HydrophobicContact CG2-CD1 3.85Å; I537-I590 HydrophobicContact CG2-CG1 3.57Å; F546-I590 HydrophobicContact CD2-CG2 3.98Å; F546-I590 HydrophobicContact CE2-CB 4.24Å; F546-I590 HydrophobicContact CE2-CD1 3.89Å; F546-I590 HydrophobicContact CE2-CG2 3.67Å; F546-I590 HydrophobicContact CZ-CB 4.27Å; F546-I590 HydrophobicContact CZ-CD1 4.39Å; F546-I590 HydrophobicContact CZ-CG2 3.99Å; N555-I590 HydrophobicContact CB-CD1 3.63Å; I586-I590 HydrophobicContact CG2-CD1 3.84Å; I586-I590 HydrophobicContact CG2-CG1 4.39Å; I586-I590 WeakPolarHBondContact O-CG1 3.16Å; I586-I590 PolarHBondContact O-N 3.33Å; D587-I590 PolarHBondContact O-N 3.16Å; I590-S592 VanDerWaalsContact C-N 3.26Å; I590-S592 PolarHBondContact O-N 2.81Å; I590-A593 VanDerWaalsContact O-CB 3.32Å; I590-A593 WeakPolarHBondContact O-CB 3.4Å; I590-A593 PolarHBondContact O-N 3.34Å; I590-W594 HydrophobicContact CG2-CH2 3.52Å; I590-W594 HydrophobicContact CG2-CZ3 3.58Å; I590-W594 WeakPolarHBondContact O-CZ3 3.45Å
591I88.2Confident90.4Very high46 Ų4638.2 Ų38.224%0.23623%0.227CC..Hα-helixtrans-63-33179.4-68.3166000111.8F546 D587 A593 W594 E595F546-I591 HydrophobicContact CE1-CD1 4.3Å; F546-I591 HydrophobicContact CE1-CG1 4.01Å; D587-I591 WeakPolarHBondContact O-CB 3.4Å; D587-I591 VanDerWaalsContact O-CG1 3.23Å; D587-I591 WeakPolarHBondContact O-CG1 3.47Å; D587-I591 PolarHBondContact O-N 2.91Å; I591-A593 PolarHBondContact O-N 3.14Å; I591-A593 VanDerWaalsContact O-N 3.09Å; I591-W594 PolarHBondContact O-N 3.42Å; I591-E595 HydrophobicContact CG2-CB 4.22Å; I591-E595 HydrophobicContact CG2-CG 4.33Å; I591-E595 PolarHBondContact O-N 3.37Å
592S89.9Confident90.4Very high30 Ų3042.5 Ų42.521%0.2124%0.243CC..THydrogen-bonded Turntrans-65.5-10178.672.30000114.6S588 K589 I590 W594 E595S588-S592 WeakPolarHBondContact O-CB 3.35Å; S588-S592 PolarHBondContact O-N 3.46Å; S588-S592 VanDerWaalsContact O-N 3.08Å; K589-S592 PolarHBondContact O-OG 2.97Å; I590-S592 VanDerWaalsContact C-N 3.26Å; I590-S592 PolarHBondContact O-N 2.81Å; S592-W594 VanDerWaalsContact C-N 3.3Å; S592-E595 CarbonylContact C-O 3.58Å; S592-E595 WeakPolarHBondContact CA-O 3.39Å; S592-E595 VanDerWaalsContact O-O 3.07Å
593A87.4Confident90.3Very high78 Ų7842.8 Ų42.865%0.64524%0.244SC*.THydrogen-bonded Turntrans-72.1-23.6169.200000112.9I590 I591I590-A593 VanDerWaalsContact O-CB 3.32Å; I590-A593 WeakPolarHBondContact O-CB 3.4Å; I590-A593 PolarHBondContact O-N 3.34Å; I591-A593 PolarHBondContact O-N 3.14Å; I591-A593 VanDerWaalsContact O-N 3.09Å
594W84.8Confident90.3Very high96 Ų9640.4 Ų40.436%0.36423%0.23SC..THydrogen-bonded Turntrans-114.3-23.9-178.9-53-66.3000113.7C540 R543 F546 I590 I591 S592C540-W594 HydrophobicContact CB-CH2 4.36Å; R543-W594 HydrophobicContact CB-CD2 4.23Å; R543-W594 HydrophobicContact CB-CE3 4.47Å; F546-W594 HydrophobicContact CB-CH2 4.31Å; F546-W594 HydrophobicContact CD1-CZ3 4.36Å; F546-W594 HydrophobicContact CG-CH2 4.39Å; F546-W594 HydrophobicContact CG-CZ3 4.39Å; I590-W594 HydrophobicContact CG2-CH2 3.52Å; I590-W594 HydrophobicContact CG2-CZ3 3.58Å; I590-W594 WeakPolarHBondContact O-CZ3 3.45Å; I591-W594 PolarHBondContact O-N 3.42Å; S592-W594 VanDerWaalsContact C-N 3.3Å
595E88.8Confident90.5Very high55 Ų5540.8 Ų40.826%0.25723%0.231SC..SBendtrans-125.7166.1-178.2-61.2-169.5164.500111.4R543 I591 S592R543-E595 IonicContact CZ-OE1 3.8Å; R543-E595 IonicContact NH1-OE1 3.44Å; R543-E595 PolarHBondContact NH1-OE1 2.98Å; R543-E595 IonicContact NH2-OE1 2.74Å; R543-E595 PolarHBondContact NH2-OE1 2.94Å; I591-E595 HydrophobicContact CG2-CB 4.22Å; I591-E595 HydrophobicContact CG2-CG 4.33Å; I591-E595 PolarHBondContact O-N 3.37Å; S592-E595 CarbonylContact C-O 3.58Å; S592-E595 WeakPolarHBondContact CA-O 3.39Å; S592-E595 VanDerWaalsContact O-O 3.07Å
596S87.3Confident90.3Very high111 Ų11142.7 Ų42.778%0.77625%0.248SC*.PPolyproline II helixtrans-58.1129.9173.556.20000110.1
597P89.2Confident90.2Very high48 Ų4844.5 Ų44.531%0.31226%0.255SS..PPolyproline II helixtrans-59.3141.5-177.121.7-32.1000111.4R602P597-R602 HydrophobicContact CB-CB 4.32Å; P597-R602 HydrophobicContact CG-CB 4.25Å; P597-R602 HydrophobicContact CG-CG 4.16Å
598D89.3Confident90.3Very high46 Ų4644.2 Ų44.225%0.24625%0.253CS..PPolyproline II helixtrans-50.4137.4169.4179-82.8000109.5R319 N600 L601 R602R319-D598 IonicContact CZ-OD1 3.63Å; R319-D598 IonicContact CZ-OD2 3.65Å; R319-D598 IonicContact NH1-OD1 3.47Å; R319-D598 IonicContact NH1-OD2 2.75Å; R319-D598 PolarHBondContact NH1-OD2 3.35Å; R319-D598 IonicContact NH2-OD1 2.82Å; R319-D598 PolarHBondContact NH2-OD1 3.46Å; R319-D598 IonicContact NH2-OD2 3.61Å; R319-D598 PolarHBondContact NH2-OD2 2.85Å; D598-N600 VanDerWaalsContact C-N 3.26Å; D598-N600 PolarHBondContact O-N 2.54Å; D598-N600 VanDerWaalsContact OD1-CB 3.3Å; D598-N600 WeakPolarHBondContact OD1-CB 3.34Å; D598-N600 PolarHBondContact OD1-N 3.47Å; D598-L601 HydrophobicContact CB-CB 4.19Å; D598-L601 WeakPolarHBondContact O-CB 3.26Å; D598-L601 PolarHBondContact O-N 2.96Å; D598-R602 PolarHBondContact O-N 2.63Å
599P88.9Confident90.2Very high68 Ų6846.6 Ų46.644%0.44226%0.263SS..Hα-helixtrans-54.7-37.8-177.2-26.133.2000115R602 L603P599-R602 VanDerWaalsContact CA-NH2 3.3Å; P599-R602 PolarHBondContact O-N 3.31Å; P599-L603 PolarHBondContact O-N 2.99Å; P599-L603 VanDerWaalsContact O-N 3.07Å
600N91.8Very high90Very high29 Ų2950.1 Ų50.116%0.15528%0.275CS..Hα-helixtrans-69.4-40.6178.6-68.20.4000110.8F316 R319 D598 L603 F604F316-N600 HydrophobicContact CD2-CB 4.37Å; F316-N600 HydrophobicContact CE2-CB 3.65Å; F316-N600 HydrophobicContact CZ-CB 4.38Å; R319-N600 PolarHBondContact NE-ND2 3.3Å; R319-N600 VanDerWaalsContact NH2-CG 3.33Å; R319-N600 PolarHBondContact NH2-ND2 3.39Å; R319-N600 VanDerWaalsContact NH2-ND2 3.12Å; D598-N600 VanDerWaalsContact C-N 3.26Å; D598-N600 PolarHBondContact O-N 2.54Å; D598-N600 VanDerWaalsContact OD1-CB 3.3Å; D598-N600 WeakPolarHBondContact OD1-CB 3.34Å; D598-N600 PolarHBondContact OD1-N 3.47Å; N600-L603 PolarHBondContact O-N 2.96Å; N600-F604 WeakPolarHBondContact O-CB 3.41Å; N600-F604 PolarHBondContact O-N 3.45Å
601L94.1Very high89.7Confident4 Ų450.6 Ų50.62%0.02128%0.278CS..Hα-helixtrans-64-44.4175.9179.366.4000111.1F585 S588 K589 D598 L603 F604 D605F585-L601 HydrophobicContact CD2-CD1 4.39Å; F585-L601 HydrophobicContact CE2-CD1 3.63Å; F585-L601 HydrophobicContact CZ-CD1 3.98Å; S588-L601 WeakPolarHBondContact O-CD2 3.28Å; K589-L601 HydrophobicContact CB-CD1 4.41Å; K589-L601 HydrophobicContact CB-CD2 4.15Å; K589-L601 HydrophobicContact CD-CD1 4.25Å; K589-L601 HydrophobicContact CD-CD2 4.1Å; D598-L601 HydrophobicContact CB-CB 4.19Å; D598-L601 WeakPolarHBondContact O-CB 3.26Å; D598-L601 PolarHBondContact O-N 2.96Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 3.36Å; L601-F604 PolarHBondContact O-N 2.93Å; L601-D605 WeakPolarHBondContact O-CB 3.17Å; L601-D605 PolarHBondContact O-N 2.82Å
602R93.4Very high89.7Confident90 Ų9049.4 Ų49.434%0.3427%0.27SS..Hα-helixtrans-58-44.9177.8-163.6-160.9-31.9111.83.8111.4A259 P597 D598 P599 A606A259-R602 PolarHBondContact O-NH1 3.23Å; P597-R602 HydrophobicContact CB-CB 4.32Å; P597-R602 HydrophobicContact CG-CB 4.25Å; P597-R602 HydrophobicContact CG-CG 4.16Å; D598-R602 PolarHBondContact O-N 2.63Å; P599-R602 VanDerWaalsContact CA-NH2 3.3Å; P599-R602 PolarHBondContact O-N 3.31Å; R602-A606 VanDerWaalsContact O-CB 3.26Å; R602-A606 WeakPolarHBondContact O-CB 3.36Å; R602-A606 PolarHBondContact O-N 3.48Å
603L92Very high89.5Confident10 Ų1052.5 Ų52.55%0.05229%0.292CS..Hα-helixtrans-65.5-44.3177.4-18060.5000111.6D260 E261 L262 F316 P599 N600 L601 A606 R607D260-L603 VanDerWaalsContact O-CD1 3.26Å; D260-L603 WeakPolarHBondContact O-CD1 3.47Å; E261-L603 VanDerWaalsContact O-CD2 3.25Å; E261-L603 WeakPolarHBondContact O-CD2 3.42Å; L262-L603 HydrophobicContact CD2-CD2 4.18Å; F316-L603 HydrophobicContact CE2-CD2 4.39Å; F316-L603 HydrophobicContact CZ-CB 4.23Å; F316-L603 HydrophobicContact CZ-CD2 3.8Å; F316-L603 HydrophobicContact CZ-CG 4.13Å; P599-L603 PolarHBondContact O-N 2.99Å; P599-L603 VanDerWaalsContact O-N 3.07Å; N600-L603 PolarHBondContact O-N 2.96Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 3.36Å; L603-A606 PolarHBondContact O-N 3.28Å; L603-R607 HydrophobicContact CD1-CG 4.48Å; L603-R607 WeakPolarHBondContact O-CG 3.41Å; L603-R607 PolarHBondContact O-N 2.72Å
604F93.8Very high89.2Confident0 Ų054.5 Ų54.50%029%0.288CS..Hα-helixtrans-59.8-51.1176.6-178.7-94.7000111.9P317 L523 F526 L527 L530 Y533 F585 N600 L601 A606 R607 L608P317-F604 HydrophobicContact CB-CB 3.94Å; P317-F604 HydrophobicContact CB-CD2 3.82Å; P317-F604 HydrophobicContact CB-CG 3.98Å; P317-F604 HydrophobicContact CG-CB 4.38Å; P317-F604 HydrophobicContact CG-CD2 3.42Å; P317-F604 VanDerWaalsContact CG-CD2 3.42Å; P317-F604 HydrophobicContact CG-CE2 3.72Å; P317-F604 HydrophobicContact CG-CG 3.86Å; P317-F604 HydrophobicContact CG-CZ 4.39Å; L523-F604 HydrophobicContact CD1-CD2 3.63Å; L523-F604 HydrophobicContact CD1-CE2 3.98Å; F526-F604 HydrophobicContact CB-CE2 4.14Å; L527-F604 HydrophobicContact CD2-CD2 3.8Å; L527-F604 HydrophobicContact CD2-CE1 4.29Å; L527-F604 HydrophobicContact CD2-CE2 3.48Å; L527-F604 VanDerWaalsContact CD2-CE2 3.48Å; L527-F604 HydrophobicContact CD2-CG 4.34Å; L527-F604 HydrophobicContact CD2-CZ 3.75Å; L527-F604 HydrophobicContact CG-CE2 4.12Å; L530-F604 HydrophobicContact CB-CZ 4.25Å; L530-F604 HydrophobicContact CD1-CZ 4.1Å; Y533-F604 HydrophobicContact CE1-CE1 4.01Å; F585-F604 HydrophobicContact CE2-CD1 4.18Å; F585-F604 HydrophobicContact CE2-CE1 4.49Å; F585-F604 AromaticContact CZ-CD1 3.81Å; F585-F604 HydrophobicContact CZ-CD1 3.81Å; F585-F604 AromaticContact CZ-CE1 3.76Å; F585-F604 HydrophobicContact CZ-CE1 3.76Å; F585-F604 HydrophobicContact CZ-CZ 4.43Å; N600-F604 WeakPolarHBondContact O-CB 3.41Å; N600-F604 PolarHBondContact O-N 3.45Å; L601-F604 PolarHBondContact O-N 2.93Å; F604-A606 VanDerWaalsContact C-N 3.31Å; F604-A606 PolarHBondContact O-N 2.96Å; F604-R607 PolarHBondContact O-N 2.81Å; F604-R607 VanDerWaalsContact O-N 3.15Å; F604-L608 HydrophobicContact CE1-CD2 4.12Å; F604-L608 WeakPolarHBondContact O-CB 3.26Å; F604-L608 PolarHBondContact O-N 3.08Å
605D93.3Very high88.8Confident23 Ų2353.9 Ų53.912%0.12329%0.289CS..Hα-helixtrans-62.5-37.4178.2-78.4-21.8000111.4Y533 K589 L601 R607 L608 N609Y533-D605 PolarHBondContact OH-OD1 3.42Å; K589-D605 IonicContact NZ-OD1 3.6Å; K589-D605 PolarHBondContact NZ-OD1 3.15Å; K589-D605 IonicContact NZ-OD2 3.74Å; K589-D605 PolarHBondContact NZ-OD2 2.79Å; L601-D605 WeakPolarHBondContact O-CB 3.17Å; L601-D605 PolarHBondContact O-N 2.82Å; D605-R607 VanDerWaalsContact C-N 3.35Å; D605-R607 PolarHBondContact O-N 2.98Å; D605-L608 PolarHBondContact O-N 3Å; D605-N609 VanDerWaalsContact O-CB 3.31Å; D605-N609 WeakPolarHBondContact O-CB 3.42Å; D605-N609 PolarHBondContact O-N 3.04Å; D605-N609 PolarHBondContact O-ND2 2.73Å
606A91.2Very high88.2Confident51 Ų5153.1 Ų53.142%0.42130%0.295SS..Hα-helixtrans-62.8-41.5174.800000112R602 L603 F604 R610R602-A606 VanDerWaalsContact O-CB 3.26Å; R602-A606 WeakPolarHBondContact O-CB 3.36Å; R602-A606 PolarHBondContact O-N 3.48Å; L603-A606 PolarHBondContact O-N 3.28Å; F604-A606 VanDerWaalsContact C-N 3.31Å; F604-A606 PolarHBondContact O-N 2.96Å; A606-R610 PolarHBondContact O-N 3.22Å
607R89.7Confident87.4Confident41 Ų4152.7 Ų52.716%0.15528%0.284CS..Hα-helixtrans-68.2-40.5174.8-67-71.1-171.9-94.4-0.5111.6L523 L527 L603 F604 D605 R610 L611L523-R607 HydrophobicContact CD2-CG 4.32Å; L527-R607 HydrophobicContact CD1-CB 3.78Å; L527-R607 HydrophobicContact CD2-CB 4.14Å; L603-R607 HydrophobicContact CD1-CG 4.48Å; L603-R607 WeakPolarHBondContact O-CG 3.41Å; L603-R607 PolarHBondContact O-N 2.72Å; F604-R607 PolarHBondContact O-N 2.81Å; F604-R607 VanDerWaalsContact O-N 3.15Å; D605-R607 VanDerWaalsContact C-N 3.35Å; D605-R607 PolarHBondContact O-N 2.98Å; R607-R610 WeakPolarHBondContact O-CB 3.35Å; R607-R610 PolarHBondContact O-N 3.17Å; R607-L611 PolarHBondContact O-N 2.85Å
608L90.8Very high86.4Confident1 Ų153.5 Ų53.51%0.00529%0.291CS..Hα-helixtrans-64-44.6177-176.158.3000112.2L527 F531 Y533 F604 D605 R610 L611 R612L527-L608 HydrophobicContact CD2-CB 3.76Å; L527-L608 HydrophobicContact CD2-CD1 4.26Å; F531-L608 HydrophobicContact CD2-CD1 4.15Å; Y533-L608 HydrophobicContact CD1-CD2 4.05Å; Y533-L608 HydrophobicContact CE1-CD2 3.68Å; F604-L608 HydrophobicContact CE1-CD2 4.12Å; F604-L608 WeakPolarHBondContact O-CB 3.26Å; F604-L608 PolarHBondContact O-N 3.08Å; D605-L608 PolarHBondContact O-N 3Å; L608-R610 VanDerWaalsContact C-N 3.29Å; L608-R610 PolarHBondContact O-N 3.27Å; L608-L611 WeakPolarHBondContact O-CB 3.4Å; L608-L611 PolarHBondContact O-N 3.2Å; L608-L611 VanDerWaalsContact O-N 3.11Å; L608-R612 WeakPolarHBondContact O-CG 3.24Å; L608-R612 PolarHBondContact O-N 2.65Å
609N89.7Confident85.1Confident93 Ų9354.8 Ų54.850%0.49730%0.297SS..Hα-helixtrans-62.7-37.2176.7-72.3-24.6000111.9D605 R612 S613D605-N609 VanDerWaalsContact O-CB 3.31Å; D605-N609 WeakPolarHBondContact O-CB 3.42Å; D605-N609 PolarHBondContact O-N 3.04Å; D605-N609 PolarHBondContact O-ND2 2.73Å; N609-R612 PolarHBondContact O-N 3Å; N609-S613 WeakPolarHBondContact O-CB 3.22Å; N609-S613 PolarHBondContact O-N 3.44Å
610R87Confident83.6Confident119 Ų11957.2 Ų57.245%0.44931%0.311SS..Hα-helixtrans-62.6-45.1172.5-174.7179.9177-173.5-1.9111A606 R607 L608 S613 Q614A606-R610 PolarHBondContact O-N 3.22Å; R607-R610 WeakPolarHBondContact O-CB 3.35Å; R607-R610 PolarHBondContact O-N 3.17Å; L608-R610 VanDerWaalsContact C-N 3.29Å; L608-R610 PolarHBondContact O-N 3.27Å; R610-S613 PolarHBondContact O-N 2.82Å; R610-S613 PolarHBondContact O-OG 3.44Å; R610-Q614 PolarHBondContact O-N 3.32Å
611L84.2Confident81.8Confident24 Ų2465.8 Ų65.813%0.12634%0.341CS..Hα-helixtrans-62.6-42.7177.2-172.166.6000111.9L527 F531 R607 L608 S613 Q614 H615L527-L611 HydrophobicContact CB-CD2 3.94Å; F531-L611 HydrophobicContact CD2-CD2 3.98Å; F531-L611 HydrophobicContact CD2-CG 4.42Å; F531-L611 HydrophobicContact CE2-CD2 4.21Å; F531-L611 HydrophobicContact CE2-CG 4.15Å; R607-L611 PolarHBondContact O-N 2.85Å; L608-L611 WeakPolarHBondContact O-CB 3.4Å; L608-L611 PolarHBondContact O-N 3.2Å; L608-L611 VanDerWaalsContact O-N 3.11Å; L611-S613 VanDerWaalsContact C-N 3.34Å; L611-S613 PolarHBondContact O-N 2.94Å; L611-Q614 PolarHBondContact O-N 2.99Å; L611-Q614 VanDerWaalsContact O-N 3.15Å; L611-H615 PolarHBondContact O-N 2.76Å; L611-H615 VanDerWaalsContact O-N 3.07Å; L611-H615 PolarHBondContact O-ND1 2.91Å
612R86.5Confident80.2Confident20 Ų2067.9 Ų67.98%0.07535%0.354CS..Hα-helixtrans-62.7-37174.7-71.9175.4-178.2-179-0.3112.7F531 D534 L608 N609 Q614 H615 G616 D617F531-R612 HydrophobicContact CD2-CG 4.44Å; F531-R612 HydrophobicContact CE1-CG 4.42Å; F531-R612 HydrophobicContact CE2-CB 4.49Å; F531-R612 HydrophobicContact CE2-CG 3.66Å; F531-R612 HydrophobicContact CZ-CB 4.4Å; F531-R612 HydrophobicContact CZ-CG 3.66Å; F531-R612 PolarHBondContact O-NE 3.23Å; F531-R612 VanDerWaalsContact O-NE 3.17Å; F531-R612 PolarHBondContact O-NH2 3.4Å; D534-R612 IonicContact OD1-CZ 2.71Å; D534-R612 IonicContact OD1-NH1 2.62Å; D534-R612 IonicContact OD1-NH2 3.08Å; D534-R612 PolarHBondContact OD1-NH2 3.34Å; D534-R612 IonicContact OD2-CZ 3.57Å; D534-R612 IonicContact OD2-NH1 2.87Å; D534-R612 PolarHBondContact OD2-NH1 3.36Å; D534-R612 IonicContact OD2-NH2 2.65Å; D534-R612 PolarHBondContact OD2-NH2 3.3Å; D534-R612 VanDerWaalsContact OD2-NH2 3.15Å; L608-R612 WeakPolarHBondContact O-CG 3.24Å; L608-R612 PolarHBondContact O-N 2.65Å; N609-R612 PolarHBondContact O-N 3Å; R612-Q614 PolarHBondContact O-N 2.87Å; R612-H615 PolarHBondContact O-N 3.06Å; R612-G616 CarbonylContact O-C 3.58Å; R612-G616 VanDerWaalsContact O-CA 3.27Å; R612-G616 WeakPolarHBondContact O-CA 3.48Å; R612-G616 PolarHBondContact O-N 3.46Å; R612-D617 IonicContact NE-OD1 2.77Å
613S86Confident78.5Confident95 Ų9564.6 Ų64.666%0.66434%0.344SS*.Hα-helixtrans-64.4-24.7175.9750000113.3N609 R610 L611N609-S613 WeakPolarHBondContact O-CB 3.22Å; N609-S613 PolarHBondContact O-N 3.44Å; R610-S613 PolarHBondContact O-N 2.82Å; R610-S613 PolarHBondContact O-OG 3.44Å; L611-S613 VanDerWaalsContact C-N 3.34Å; L611-S613 PolarHBondContact O-N 2.94Å
614Q80.9Confident76.8Confident120 Ų12070.1 Ų70.156%0.56138%0.378SS*.Hα-helixtrans-88.5-38.7178.5-66.9172.7-30.900112.6R610 L611 R612R610-Q614 PolarHBondContact O-N 3.32Å; L611-Q614 PolarHBondContact O-N 2.99Å; L611-Q614 VanDerWaalsContact O-N 3.15Å; R612-Q614 PolarHBondContact O-N 2.87Å
615H77Confident75Confident84 Ų8470.6 Ų70.639%0.38938%0.382SS..Hα-helixtrans-104.4-10.9-172.4-67.888.4000114.8L611 R612 P623 D626L611-H615 PolarHBondContact O-N 2.76Å; L611-H615 VanDerWaalsContact O-N 3.07Å; L611-H615 PolarHBondContact O-ND1 2.91Å; R612-H615 PolarHBondContact O-N 3.06Å; H615-P623 HydrophobicContact CB-CG 4.47Å; H615-D626 IonicContact CE1-OD2 2.85Å; H615-D626 PolarHBondContact CE1-OD2 3.2Å; H615-D626 IonicContact NE2-OD2 3.74Å
616G75Confident73Confident38 Ų3874.2 Ų74.239%0.39240%0.401SS..  trans87.6148.8-173.600000113.1F531 R612 S618F531-G616 WeakPolarHBondContact CZ-O 3.43Å; R612-G616 CarbonylContact O-C 3.58Å; R612-G616 VanDerWaalsContact O-CA 3.27Å; R612-G616 WeakPolarHBondContact O-CA 3.48Å; R612-G616 PolarHBondContact O-N 3.46Å; G616-S618 PolarHBondContact O-N 3.22Å
617D72.2Confident71.2Confident102 Ų10275 Ų7555%0.54540%0.403SS..SBendtrans-9461-176.9-164.221.9000111.1R612R612-D617 IonicContact NE-OD1 2.77Å
618S66.5Low69.4Low65 Ų6575 Ų7546%0.45541%0.408SS..  trans-111.9131.8178.9-178.90000110.6G616 V620G616-S618 PolarHBondContact O-N 3.22Å; S618-V620 PolarHBondContact O-N 3.12Å
619I63.9Low67.8Low73 Ų7376.3 Ų76.337%0.37442%0.416SS..THydrogen-bonded Turntrans-59.5-35.4177.6-61.8169.2000111.3R621I619-R621 VanDerWaalsContact C-N 3.32Å; I619-R621 PolarHBondContact O-N 3.29Å
620V56.1Low66Low119 Ų11979.1 Ų79.172%0.72143%0.426SS*.THydrogen-bonded Turntrans-82.2-2.5-162.8-172.20000114.1S618S618-V620 PolarHBondContact O-N 3.12Å
621R55.1Low64.4Low209 Ų20976.7 Ų76.779%0.78943%0.431SS*.  trans-138.388.6178.6-71.4-172.2-179.3179.1-0.2110.6I619 P623I619-R621 VanDerWaalsContact C-N 3.32Å; I619-R621 PolarHBondContact O-N 3.29Å; R621-P623 WeakPolarHBondContact O-CD 3.26Å
622T59.1Low63.6Low48 Ų4876 Ų7629%0.29443%0.428SS..PPolyproline II helixtrans-57120.9159.2-450000107.6T528 F531 T624T528-T622 HydrophobicContact CG2-CG2 4.36Å; T528-T622 WeakPolarHBondContact O-CG2 3.41Å; F531-T622 HydrophobicContact CB-CG2 4.31Å; T622-T624 PolarHBondContact O-N 3.26Å
623P57.4Low62.9Low21 Ų2176.7 Ų76.714%0.13644%0.435CS..PPolyproline II helixtrans-57.7139.5176.24.2-3.7000109.4T528 F531 H615 R621 C625T528-P623 WeakPolarHBondContact CG2-O 3.46Å; F531-P623 HydrophobicContact CD2-CG 3.76Å; F531-P623 HydrophobicContact CE2-CG 3.82Å; F531-P623 HydrophobicContact CG-CG 4.15Å; F531-P623 HydrophobicContact CZ-CG 4.26Å; H615-P623 HydrophobicContact CB-CG 4.47Å; R621-P623 WeakPolarHBondContact O-CD 3.26Å; P623-C625 PolarHBondContact O-N 3.34Å
624T57.6Low62.4Low126 Ų12672.3 Ų72.377%0.77340%0.404SS*.PPolyproline II helixtrans-64130.9160.4400000107.1T622 D626T622-T624 PolarHBondContact O-N 3.26Å; T624-D626 PolarHBondContact O-N 2.89Å; T624-D626 VanDerWaalsContact O-N 3.1Å
625C54.7Low62.3Low10 Ų1067.2 Ų67.27%0.06838%0.381CS..PPolyproline II helixtrans-49120.3-175.8-167.80000109.7E385 Q389 T528 P623 S627E385-C625 WeakPolarHBondContact OE1-CB 3.16Å; Q389-C625 PolarHBondContact NE2-SG 3.39Å; T528-C625 HydrophobicContact CG2-CB 4.27Å; P623-C625 PolarHBondContact O-N 3.34Å; C625-S627 PolarHBondContact O-N 3Å; C625-S627 VanDerWaalsContact O-N 3.16Å
626D52.8Low62.6Low100 Ų10068 Ų6854%0.53539%0.388SS..PPolyproline II helixtrans-60.2123.4174.8-90.9-27.4000108.1H615 T624 V628H615-D626 IonicContact CE1-OD2 2.85Å; H615-D626 PolarHBondContact CE1-OD2 3.2Å; H615-D626 IonicContact NE2-OD2 3.74Å; T624-D626 PolarHBondContact O-N 2.89Å; T624-D626 VanDerWaalsContact O-N 3.1Å; D626-V628 PolarHBondContact O-N 3.42Å
627S52.4Low63.1Low66 Ų6669.2 Ų69.246%0.46238%0.384SS..SBendtrans-71.2-15.3-17072.70000113.4C625C625-S627 PolarHBondContact O-N 3Å; C625-S627 VanDerWaalsContact O-N 3.16Å
628V52Low63.9Low42 Ų4264.5 Ų64.526%0.25536%0.359SS..  trans-128.6108.8-171.8-159.10000112.4D626 H630D626-V628 PolarHBondContact O-N 3.42Å; V628-H630 WeakPolarHBondContact CB-NE2 3.27Å; V628-H630 WeakPolarHBondContact CG1-CE1 3.31Å; V628-H630 WeakPolarHBondContact CG1-ND1 3.47Å; V628-H630 WeakPolarHBondContact CG1-NE2 3.26Å; V628-H630 PolarHBondContact O-N 2.96Å
629V58Low64.8Low28 Ų2863.4 Ų63.417%0.1735%0.349CS..  trans-76.174171.3-167.10000108.9F517 E520 V521 N524 A631 V632F517-V629 HydrophobicContact CE2-CB 4.35Å; E520-V629 HydrophobicContact CB-CG1 4.45Å; V521-V629 HydrophobicContact CG2-CG2 4.34Å; N524-V629 VanDerWaalsContact ND2-CG2 3.34Å; N524-V629 WeakPolarHBondContact ND2-CG2 3.46Å; V629-A631 VanDerWaalsContact C-N 3.32Å; V629-A631 PolarHBondContact O-N 3.44Å; V629-V632 HydrophobicContact CG1-CG2 3.4Å; V629-V632 VanDerWaalsContact CG1-CG2 3.4Å
630H52.4Low65.9Low152 Ų15264.3 Ų64.370%0.70436%0.355SS*.  trans-68.4-24.5-172-78.4-64.9000114.9V628V628-H630 WeakPolarHBondContact CB-NE2 3.27Å; V628-H630 WeakPolarHBondContact CG1-CE1 3.31Å; V628-H630 WeakPolarHBondContact CG1-ND1 3.47Å; V628-H630 WeakPolarHBondContact CG1-NE2 3.26Å; V628-H630 PolarHBondContact O-N 2.96Å
631A53.5Low67.4Low68 Ų6859.3 Ų59.356%0.56232%0.323SS*.  trans-147.198.4-175.600000111.3V629 P633V629-A631 VanDerWaalsContact C-N 3.32Å; V629-A631 PolarHBondContact O-N 3.44Å; A631-P633 WeakPolarHBondContact O-CD 3.32Å
632V66.3Low68.9Low9 Ų950.8 Ų50.86%0.05529%0.292CS..  trans-89.5111.2173.5174.50000108.9F517 E520 V629 S634 V635F517-V632 HydrophobicContact CD2-CG2 3.78Å; F517-V632 HydrophobicContact CE2-CG2 4.18Å; E520-V632 HydrophobicContact CB-CG1 4.41Å; E520-V632 HydrophobicContact CB-CG2 3.98Å; E520-V632 HydrophobicContact CG-CB 4.43Å; E520-V632 HydrophobicContact CG-CG1 3.54Å; E520-V632 HydrophobicContact CG-CG2 4.01Å; V629-V632 HydrophobicContact CG1-CG2 3.4Å; V629-V632 VanDerWaalsContact CG1-CG2 3.4Å; V632-S634 WeakPolarHBondContact CG1-OG 3.44Å; V632-S634 PolarHBondContact O-N 3Å; V632-V635 HydrophobicContact CB-CB 4.2Å; V632-V635 HydrophobicContact CB-CG2 3.77Å; V632-V635 HydrophobicContact CG1-CB 4.29Å; V632-V635 HydrophobicContact CG1-CG2 3.71Å; V632-V635 PolarHBondContact O-N 3.3Å
633P71.1Confident70.1Confident36 Ų3653.1 Ų53.123%0.23430%0.302CS..Hα-helixtrans-53.7-38.6177.2-24.434.3000112.5A631 V635 N636 E637A631-P633 WeakPolarHBondContact O-CD 3.32Å; P633-V635 VanDerWaalsContact C-N 3.27Å; P633-V635 PolarHBondContact O-N 3.44Å; P633-N636 PolarHBondContact O-N 2.55Å; P633-N636 VanDerWaalsContact O-N 3.12Å; P633-E637 PolarHBondContact O-N 3.46Å; P633-E637 VanDerWaalsContact O-N 3.14Å
634S76Confident71.2Confident2 Ų258.1 Ų58.11%0.01432%0.324CS..Hα-helixtrans-64.7-25.3-179.854.70000114E520 V632 E637 I638E520-S634 PolarHBondContact OE1-OG 3.2Å; V632-S634 WeakPolarHBondContact CG1-OG 3.44Å; V632-S634 PolarHBondContact O-N 3Å; S634-E637 WeakPolarHBondContact CA-OE2 3.4Å; S634-I638 WeakPolarHBondContact O-CD1 3.16Å; S634-I638 WeakPolarHBondContact O-CG1 3.36Å; S634-I638 PolarHBondContact O-N 3.24Å
635V79.5Confident72.4Confident14 Ų1454 Ų549%0.08530%0.296CS..Hα-helixtrans-74.1-36.2175172.50000111.1R513 F517 V632 P633 I638 T639R513-V635 HydrophobicContact CB-CG1 4.36Å; R513-V635 HydrophobicContact CG-CG1 4.12Å; F517-V635 HydrophobicContact CB-CG2 4.45Å; V632-V635 HydrophobicContact CB-CB 4.2Å; V632-V635 HydrophobicContact CB-CG2 3.77Å; V632-V635 HydrophobicContact CG1-CB 4.29Å; V632-V635 HydrophobicContact CG1-CG2 3.71Å; V632-V635 PolarHBondContact O-N 3.3Å; P633-V635 VanDerWaalsContact C-N 3.27Å; P633-V635 PolarHBondContact O-N 3.44Å; V635-I638 PolarHBondContact O-N 2.8Å; V635-T639 PolarHBondContact O-N 3.44Å; V635-T639 PolarHBondContact O-OG1 3.07Å
636N82.7Confident73.7Confident99 Ų9955.9 Ų55.953%0.52931%0.305SS..Hα-helixtrans-68.5-43.1177-67.4-19.5000110.7P633 I638 T639 D640P633-N636 PolarHBondContact O-N 2.55Å; P633-N636 VanDerWaalsContact O-N 3.12Å; N636-I638 VanDerWaalsContact C-N 3.29Å; N636-I638 PolarHBondContact O-N 2.94Å; N636-T639 CarbonylContact O-C 3.54Å; N636-T639 WeakPolarHBondContact O-CA 3.49Å; N636-T639 WeakPolarHBondContact O-CB 3.47Å; N636-T639 PolarHBondContact O-N 3.32Å; N636-D640 PolarHBondContact O-N 3.23Å
637E86.5Confident75Confident64 Ų6452.1 Ų52.130%0.29928%0.284SS..Hα-helixtrans-59.7-39.4176.8-69.5163.1157.500111.9E261 P633 S634 D640 R641E261-E637 WeakPolarHBondContact CG-OE2 3.25Å; P633-E637 PolarHBondContact O-N 3.46Å; P633-E637 VanDerWaalsContact O-N 3.14Å; S634-E637 WeakPolarHBondContact CA-OE2 3.4Å; E637-D640 PolarHBondContact O-N 2.82Å; E637-R641 WeakPolarHBondContact O-CG 3.34Å; E637-R641 PolarHBondContact O-N 2.99Å; E637-R641 VanDerWaalsContact O-N 3.07Å
638I88.1Confident76.4Confident4 Ų452 Ų522%0.02128%0.276CS..Hα-helixtrans-66-40.8173.7-64.9165.3000111.4F509 M512 R513 S516 S634 V635 N636 D640 R641 E642F509-I638 HydrophobicContact CD1-CG2 4.03Å; M512-I638 HydrophobicContact CB-CD1 4.22Å; M512-I638 HydrophobicContact CB-CG2 4.11Å; M512-I638 WeakPolarHBondContact O-CD1 3.2Å; R513-I638 HydrophobicContact CG-CB 4.07Å; R513-I638 HydrophobicContact CG-CG2 3.65Å; S516-I638 WeakPolarHBondContact OG-CD1 3.49Å; S634-I638 WeakPolarHBondContact O-CD1 3.16Å; S634-I638 WeakPolarHBondContact O-CG1 3.36Å; S634-I638 PolarHBondContact O-N 3.24Å; V635-I638 PolarHBondContact O-N 2.8Å; N636-I638 VanDerWaalsContact C-N 3.29Å; N636-I638 PolarHBondContact O-N 2.94Å; I638-D640 VanDerWaalsContact C-N 3.35Å; I638-R641 PolarHBondContact O-N 3.44Å; I638-E642 PolarHBondContact O-N 3.32Å
639T86.5Confident78Confident42 Ų4250.5 Ų50.526%0.25827%0.267SS..Hα-helixtrans-65.3-41.3178.5-55.10000110.8V635 N636 R641 E642 L643V635-T639 PolarHBondContact O-N 3.44Å; V635-T639 PolarHBondContact O-OG1 3.07Å; N636-T639 CarbonylContact O-C 3.54Å; N636-T639 WeakPolarHBondContact O-CA 3.49Å; N636-T639 WeakPolarHBondContact O-CB 3.47Å; N636-T639 PolarHBondContact O-N 3.32Å; T639-R641 VanDerWaalsContact C-N 3.33Å; T639-R641 PolarHBondContact O-N 3.44Å; T639-E642 WeakPolarHBondContact O-CB 3.48Å; T639-E642 PolarHBondContact O-N 2.93Å; T639-L643 HydrophobicContact CG2-CD1 4.29Å; T639-L643 WeakPolarHBondContact O-CG 3.49Å; T639-L643 PolarHBondContact O-N 2.89Å
640D86.3Confident79.1Confident91 Ų9151.2 Ų51.249%0.48727%0.272SS..Hα-helixtrans-63.4-39.8176.9-71.8-22000111.3N636 E637 I638 L643 H644N636-D640 PolarHBondContact O-N 3.23Å; E637-D640 PolarHBondContact O-N 2.82Å; I638-D640 VanDerWaalsContact C-N 3.35Å; D640-L643 PolarHBondContact O-N 3.33Å; D640-H644 PolarHBondContact O-N 3.4Å; D640-H644 PolarHBondContact O-ND1 3.27Å; D640-H644 VanDerWaalsContact O-ND1 3.08Å
641R86.8Confident80.7Confident15 Ų1548.4 Ų48.46%0.05727%0.267CS..Hα-helixtrans-67.2-33.3172.6-72.2177.7-168.612814.6113.8G240 E261 E637 I638 T639 L643 H644G240-R641 PolarHBondContact O-NE 3.42Å; G240-R641 PolarHBondContact O-NH2 3.37Å; E261-R641 IonicContact OE1-CZ 2.76Å; E261-R641 IonicContact OE1-NH1 3.65Å; E261-R641 IonicContact OE1-NH2 2.8Å; E261-R641 PolarHBondContact OE1-NH2 3.41Å; E261-R641 IonicContact OE2-CZ 2.81Å; E261-R641 IonicContact OE2-NH1 3.77Å; E261-R641 PolarHBondContact OE2-NH1 3.46Å; E261-R641 IonicContact OE2-NH2 2.88Å; E261-R641 PolarHBondContact OE2-NH2 3.25Å; E637-R641 WeakPolarHBondContact O-CG 3.34Å; E637-R641 PolarHBondContact O-N 2.99Å; E637-R641 VanDerWaalsContact O-N 3.07Å; I638-R641 PolarHBondContact O-N 3.44Å; T639-R641 VanDerWaalsContact C-N 3.33Å; T639-R641 PolarHBondContact O-N 3.44Å; R641-L643 VanDerWaalsContact C-N 3.33Å; R641-H644 CarbonylContact O-C 3.6Å
642E87.1Confident82.3Confident30 Ų3046 Ų4614%0.1425%0.246CC..Hα-helixtrans-65.5-40.6174.4-179.7171.4-168.900110.4Y499 Q500 F509 R513 I638 T639Y499-E642 PolarHBondContact OH-O 2.79Å; Q500-E642 PolarHBondContact NE2-O 3.28Å; F509-E642 HydrophobicContact CB-CB 4.28Å; F509-E642 VanDerWaalsContact CB-CD 3.49Å; F509-E642 HydrophobicContact CB-CG 4.07Å; F509-E642 WeakPolarHBondContact CB-OE2 3.31Å; F509-E642 HydrophobicContact CD1-CB 3.7Å; F509-E642 HydrophobicContact CD1-CG 4.24Å; F509-E642 HydrophobicContact CD2-CB 3.96Å; F509-E642 HydrophobicContact CD2-CG 3.6Å; F509-E642 HydrophobicContact CE1-CB 3.94Å; F509-E642 HydrophobicContact CE2-CB 4.19Å; F509-E642 HydrophobicContact CE2-CG 4.06Å; F509-E642 HydrophobicContact CG-CB 3.72Å; F509-E642 HydrophobicContact CG-CG 3.72Å; F509-E642 HydrophobicContact CZ-CB 4.18Å; R513-E642 IonicContact CZ-OE2 3.42Å; R513-E642 IonicContact NE-OE2 3.15Å; R513-E642 IonicContact NH2-OE2 3.91Å; R513-E642 PolarHBondContact NH2-OE2 3.08Å; R513-E642 VanDerWaalsContact NH2-OE2 3.16Å; I638-E642 PolarHBondContact O-N 3.32Å; T639-E642 WeakPolarHBondContact O-CB 3.48Å; T639-E642 PolarHBondContact O-N 2.93Å
643L84.5Confident83.2Confident96 Ų9648.9 Ų48.950%0.50326%0.259SS..Hα-helixtrans-76.7-35.4-179.5-67.7173.2000113.2Q500 T639 D640 R641Q500-L643 PolarHBondContact NE2-O 3.42Å; Q500-L643 VanDerWaalsContact NE2-O 3.16Å; T639-L643 HydrophobicContact CG2-CD1 4.29Å; T639-L643 WeakPolarHBondContact O-CG 3.49Å; T639-L643 PolarHBondContact O-N 2.89Å; D640-L643 PolarHBondContact O-N 3.33Å; R641-L643 VanDerWaalsContact C-N 3.33Å
644H81.2Confident83.8Confident127 Ų12750.9 Ų50.959%0.58827%0.271SS*.SBendtrans-125.691.5-174.5-48.594.3000110.5D640 R641 D646D640-H644 PolarHBondContact O-N 3.4Å; D640-H644 PolarHBondContact O-ND1 3.27Å; D640-H644 VanDerWaalsContact O-ND1 3.08Å; R641-H644 CarbonylContact O-C 3.6Å; H644-D646 PolarHBondContact O-N 2.85Å
645M81.8Confident83.8Confident39 Ų3952.4 Ų52.419%0.19228%0.279CS..  trans-69.7123.2174.6-168.561.759.700110.8S242 L243 K244 V253 Y499 F509S242-M645 PolarHBondContact OG-SD 3Å; S242-M645 VanDerWaalsContact OG-SD 3.37Å; L243-M645 VanDerWaalsContact CA-SD 3.59Å; K244-M645 HydrophobicContact CB-CE 4.12Å; K244-M645 HydrophobicContact CB-CG 3.75Å; K244-M645 HydrophobicContact CB-SD 3.93Å; K244-M645 PolarHBondContact N-SD 3.35Å; V253-M645 HydrophobicContact CB-CE 4.41Å; V253-M645 HydrophobicContact CG1-CE 3.77Å; Y499-M645 HydrophobicContact CD2-CE 4.11Å; Y499-M645 HydrophobicContact CE1-CB 3.93Å; Y499-M645 HydrophobicContact CE1-CE 4.17Å; Y499-M645 HydrophobicContact CE2-CE 3.56Å; F509-M645 HydrophobicContact CZ-CE 4.18Å
646D82.1Confident83.1Confident49 Ų4954.7 Ų54.726%0.26231%0.306SS..  trans-75.6-37.7-177.5-62.5-78.6000112.8R241 S242 H644R241-D646 WeakPolarHBondContact CA-OD2 3.44Å; R241-D646 HydrophobicContact CB-CB 4.26Å; R241-D646 WeakPolarHBondContact CB-OD2 3.18Å; R241-D646 VanDerWaalsContact CD-OD1 3.32Å; R241-D646 WeakPolarHBondContact CD-OD1 3.28Å; R241-D646 VanDerWaalsContact CD-OD2 3.3Å; R241-D646 WeakPolarHBondContact CD-OD2 3.34Å; R241-D646 IonicContact CZ-OD1 3.33Å; R241-D646 IonicContact NE-OD1 2.75Å; R241-D646 IonicContact NH1-OD1 3.72Å; R241-D646 PolarHBondContact NH1-OD1 2.89Å; S242-D646 PolarHBondContact N-OD2 3.29Å; S242-D646 WeakPolarHBondContact O-CB 3.34Å; S242-D646 PolarHBondContact O-N 3.17Å; S242-D646 PolarHBondContact OG-N 3.31Å; S242-D646 PolarHBondContact OG-OD2 3Å; H644-D646 PolarHBondContact O-N 2.85Å
647Y79.9Confident81.5Confident21 Ų2154.9 Ų54.98%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-132.9132.3-174.2-54.6-70.1000112.5P237 R241 S242 L243 K244 Y699 F702P237-Y647 HydrophobicContact CB-CD2 4.09Å; P237-Y647 HydrophobicContact CB-CE2 4.21Å; R241-Y647 HydrophobicContact CB-CD2 4.41Å; R241-Y647 HydrophobicContact CB-CE2 3.72Å; R241-Y647 HydrophobicContact CG-CE2 4.06Å; S242-Y647 VanDerWaalsContact O-CD2 3.3Å; S242-Y647 WeakPolarHBondContact O-CD2 3.49Å; S242-Y647 PolarHBondContact O-N 3.43Å; S242-Y647 VanDerWaalsContact O-N 3.15Å; L243-Y647 CarbonylContact C-O 3.55Å; L243-Y647 VanDerWaalsContact CA-O 3.3Å; L243-Y647 WeakPolarHBondContact CA-O 3.42Å; K244-Y647 PolarHBondContact N-O 3.4Å; Y647-Y699 AromaticContact CD1-CD1 3.76Å; Y647-Y699 HydrophobicContact CD1-CD1 3.76Å; Y647-Y699 AromaticContact CD1-CE1 3.78Å; Y647-Y699 HydrophobicContact CD1-CE1 3.78Å; Y647-Y699 HydrophobicContact CD1-CG 4.21Å; Y647-Y699 AromaticContact CE1-CD1 3.74Å; Y647-Y699 HydrophobicContact CE1-CD1 3.74Å; Y647-Y699 HydrophobicContact CE1-CE1 4.14Å; Y647-Y699 HydrophobicContact CE1-CG 4.29Å; Y647-F702 AromaticContact CD1-CE2 3.95Å; Y647-F702 HydrophobicContact CD1-CE2 3.95Å; Y647-F702 HydrophobicContact CD1-CZ 4.29Å; Y647-F702 HydrophobicContact CD2-CZ 4.26Å; Y647-F702 AromaticContact CE1-CE2 3.66Å; Y647-F702 HydrophobicContact CE1-CE2 3.66Å; Y647-F702 HydrophobicContact CE1-CZ 4.05Å; Y647-F702 HydrophobicContact CE2-CE2 4.46Å; Y647-F702 HydrophobicContact CE2-CZ 4.02Å; Y647-F702 HydrophobicContact CG-CE2 4.49Å; Y647-F702 HydrophobicContact CG-CZ 4.4Å; Y647-F702 AromaticContact CZ-CE2 3.95Å; Y647-F702 AromaticContact CZ-CZ 3.92Å
648Q82.4Confident79.6Confident65 Ų6560.6 Ų60.630%0.30435%0.348SS..EExtended strand (participates in β ladder)trans-110.6116.1166.1-178.8159.1-57.900109.3K244 N496K244-Q648 HydrophobicContact CD-CG 4.47Å; K244-Q648 CarbonylContact O-C 3.6Å; K244-Q648 WeakPolarHBondContact O-CA 3.46Å; N496-Q648 PolarHBondContact OD1-NE2 3.16Å; N496-Q648 PolarHBondContact OD1-OE1 3.12Å
649V84.9Confident77.4Confident10 Ų1068 Ų686%0.06139%0.387CS..PPolyproline II helixtrans-76.2128.7-179.4-172.70000108.6W229 L234 L243 K244 A245W229-V649 HydrophobicContact CZ2-CB 4.3Å; W229-V649 HydrophobicContact CZ2-CG1 3.59Å; L234-V649 HydrophobicContact CD1-CB 4.37Å; L234-V649 HydrophobicContact CD1-CG1 4.04Å; L234-V649 HydrophobicContact CD1-CG2 3.9Å; L243-V649 HydrophobicContact CD1-CG2 4.24Å; K244-V649 PolarHBondContact O-N 2.92Å; A245-V649 HydrophobicContact CB-CB 3.92Å; A245-V649 HydrophobicContact CB-CG2 4.18Å
650P82.7Confident75.6Confident43 Ų4368.3 Ų68.328%0.27939%0.391SS..PPolyproline II helixtrans-57.2147.6173.8-23.734000111.5W229 W695W229-P650 PolarHBondContact NE1-O 3.47Å; P650-W695 HydrophobicContact CG-CB 4.37Å; P650-W695 HydrophobicContact CG-CE3 4.45Å
651P84.1Confident73.9Confident92 Ų9271.1 Ų71.160%0.59741%0.405SS*.PPolyproline II helixtrans-67.3160.3177.629.8-35.4000111.8
652P87.9Confident72.3Confident19 Ų1976.1 Ų76.112%0.12344%0.437CS..PPolyproline II helixtrans-54.6151.1174.1-23.231.5000113L221 Y226 W229 L247L221-P652 HydrophobicContact CD1-CB 3.98Å; L221-P652 WeakPolarHBondContact CD1-O 3.42Å; Y226-P652 HydrophobicContact CD1-CB 3.78Å; Y226-P652 HydrophobicContact CD1-CG 3.64Å; Y226-P652 HydrophobicContact CE1-CB 3.92Å; Y226-P652 HydrophobicContact CE1-CG 3.89Å; W229-P652 HydrophobicContact CB-CB 4.09Å; W229-P652 HydrophobicContact CB-CG 4.22Å; W229-P652 HydrophobicContact CD2-CG 3.83Å; W229-P652 HydrophobicContact CE3-CG 4.18Å; W229-P652 HydrophobicContact CG-CB 4.06Å; W229-P652 HydrophobicContact CG-CG 3.83Å; L247-P652 HydrophobicContact CD1-CG 3.92Å
653H85.2Confident70.5Confident69 Ų6982.9 Ų82.932%0.31946%0.461SS..  trans-137.1164.2-177.66667.9000112.8S225 E233S225-H653 VanDerWaalsContact CB-O 3.24Å; S225-H653 WeakPolarHBondContact CB-O 3.32Å; S225-H653 PolarHBondContact OG-O 2.97Å; E233-H653 IonicContact OE1-CE1 3.47Å; E233-H653 IonicContact OE1-NE2 3.16Å; E233-H653 PolarHBondContact OE1-NE2 3.34Å; E233-H653 IonicContact OE2-CD2 3.63Å; E233-H653 PolarHBondContact OE2-CD2 2.9Å; E233-H653 IonicContact OE2-NE2 2.69Å; E233-H653 PolarHBondContact OE2-NE2 2.93Å; E233-H653 VanDerWaalsContact OE2-NE2 3.17Å
654P83Confident68.7Low77 Ų7781.4 Ų81.450%0.547%0.469SS..  trans-60142.3175.9-19.329.7000112.5L221L221-P654 HydrophobicContact CD2-CB 4.24Å; L221-P654 HydrophobicContact CD2-CG 3.51Å
655L77.9Confident67.3Low34 Ų3482.7 Ų82.718%0.17847%0.473CS..SBendtrans-96.686.8173.8-59.3174.2000109.2E224 S225 Y228 L681E224-L655 HydrophobicContact CB-CD1 4.29Å; S225-L655 PolarHBondContact OG-N 3.37Å; Y228-L655 HydrophobicContact CD1-CD2 3.51Å; Y228-L655 HydrophobicContact CD2-CD1 4.18Å; Y228-L655 HydrophobicContact CD2-CD2 4.06Å; Y228-L655 HydrophobicContact CE1-CD2 3.96Å; Y228-L655 HydrophobicContact CE2-CD2 4.45Å; Y228-L655 HydrophobicContact CG-CD1 3.93Å; Y228-L655 HydrophobicContact CG-CD2 3.58Å; Y228-L655 HydrophobicContact CG-CG 4.4Å; L655-L681 HydrophobicContact CD1-CB 4.38Å
656G63.8Low65.8Low63 Ų6384.5 Ų84.565%0.64949%0.488SS*.SBendtrans92.8165.7-178.300000114
657A49.9Very low64.4Low103 Ų10388.3 Ų88.385%0.85152%0.518SS*.SBendtrans-86.5-27.9-162.700000115.7
658E44.8Very low63.2Low184 Ų18495.4 Ų95.486%0.8655%0.549SS*.SBendtrans-144.1-6.5-167.7-68.2-170.3155.700118.5
659D41.9Very low62.3Low158 Ų15895.7 Ų95.785%0.84555%0.551SS**  trans-105.5-4.6-162.1-75.5-32.8000119I661D659-I661 PolarHBondContact O-N 3.42Å
660S49.9Very low61.6Low49 Ų4996 Ų9634%0.34356%0.557SS.*  trans-89.782.4179.7-52.70000111.4V662S660-V662 PolarHBondContact O-N 3.37Å
661I50Low61.6Low151 Ų15198.4 Ų98.477%0.77456%0.564SS**  trans-47.9114.6161-62169.7000106.7D659 R663D659-I661 PolarHBondContact O-N 3.42Å; I661-R663 VanDerWaalsContact C-N 3.29Å; I661-R663 PolarHBondContact O-N 3.17Å
662V52.4Low61.9Low119 Ų11994.3 Ų94.372%0.72154%0.537SS*.  trans-55.9101.2167.2179.10000105.4S660 G664S660-V662 PolarHBondContact O-N 3.37Å; V662-G664 PolarHBondContact O-N 3.03Å
663R50.9Low62Low172 Ų17295.2 Ų95.265%0.64954%0.539SS*.PPolyproline II helixtrans-52.9119.2-179.4-96.1-173.1-97.3-142-1.3107.3E224 I661 K665E224-R663 IonicContact OE1-NH2 3.98Å; I661-R663 VanDerWaalsContact C-N 3.29Å; I661-R663 PolarHBondContact O-N 3.17Å; R663-K665 PolarHBondContact O-N 3.5Å
664G47.1Very low62.4Low65 Ų6591.9 Ų91.967%0.6752%0.524SS*.PPolyproline II helixtrans-55.3133.3-178.700000110.3V662 P666V662-G664 PolarHBondContact O-N 3.03Å; G664-P666 WeakPolarHBondContact O-CD 3.41Å
665K50.5Low62.7Low154 Ų15490 Ų9067%0.6751%0.511SS*.PPolyproline II helixtrans-54.7120.9176.8-74.5179.6177.3177.60109.3R663R663-K665 PolarHBondContact O-N 3.5Å
666P50.3Low63.3Low78 Ų7892.9 Ų92.951%0.50653%0.527SS..PPolyproline II helixtrans-64.1144.5170.324.1-29.2000109.9G664 K668 Q669G664-P666 WeakPolarHBondContact O-CD 3.41Å; P666-K668 PolarHBondContact O-N 3.03Å; P666-K668 VanDerWaalsContact O-N 3.12Å; P666-Q669 HydrophobicContact CG-CG 4.22Å
667S52.8Low64.7Low128 Ų12890.5 Ų90.590%0.89550%0.499SS*.SBendtrans-68.8-10.2-164.749.70000115.9
668K54.2Low66.5Low171 Ų17188.7 Ų88.774%0.74348%0.475SS*.  trans-137.797.8178.3-68-175.3178.2-176.90110P666P666-K668 PolarHBondContact O-N 3.03Å; P666-K668 VanDerWaalsContact O-N 3.12Å
669Q64.5Low68.5Low70 Ų7081 Ų8133%0.32744%0.444SS..  trans-117.1144.2166.2-80.7176.3-7.800109.4P666 H673P666-Q669 HydrophobicContact CG-CG 4.22Å; Q669-H673 HydrophobicContact CB-CB 4.5Å; Q669-H673 HydrophobicContact CG-CB 4.06Å; Q669-H673 PolarHBondContact NE2-CD2 3.02Å; Q669-H673 PolarHBondContact NE2-NE2 3.48Å
670G69.2Low70.5Confident18 Ų1879.6 Ų79.619%0.18644%0.437CS..  trans-63.7-173.5163.800000111.1F672G670-F672 PolarHBondContact O-N 3.01Å; G670-F672 VanDerWaalsContact O-N 3.13Å
671Q82.6Confident72.2Confident92 Ų9279.3 Ų79.343%0.4343%0.431SS..SBendtrans-59.8-26.2-177.8-177.1-178.914.100114.3K81K81-Q671 PolarHBondContact O-NE2 2.83Å; K81-Q671 PolarHBondContact O-OE1 3.38Å; K81-Q671 VanDerWaalsContact O-OE1 3.14Å
672F90.4Very high74.1Confident6 Ų672.1 Ų72.13%0.02640%0.395CS..  trans-137.6143.8179.8-59.6-72.9000110.6K81 P83 F105 L210 S214 G670K81-F672 WeakPolarHBondContact O-CE2 3.4Å; P83-F672 VanDerWaalsContact CD-CZ 3.46Å; P83-F672 HydrophobicContact CG-CD1 4.27Å; P83-F672 HydrophobicContact CG-CE1 3.7Å; P83-F672 HydrophobicContact CG-CE2 4.03Å; P83-F672 HydrophobicContact CG-CZ 3.58Å; F105-F672 HydrophobicContact CB-CB 4.3Å; F105-F672 HydrophobicContact CB-CD2 4.39Å; F105-F672 HydrophobicContact CB-CG 4.35Å; F105-F672 HydrophobicContact CD2-CB 3.57Å; F105-F672 HydrophobicContact CD2-CG 4.47Å; F105-F672 HydrophobicContact CE2-CB 4.26Å; F105-F672 HydrophobicContact CG-CB 4.17Å; L210-F672 HydrophobicContact CD1-CB 4.45Å; L210-F672 HydrophobicContact CD1-CD1 4.4Å; L210-F672 HydrophobicContact CD2-CD1 3.75Å; L210-F672 HydrophobicContact CD2-CE1 4.14Å; L210-F672 HydrophobicContact CD2-CG 4.39Å; L210-F672 HydrophobicContact CG-CD1 3.97Å; S214-F672 WeakPolarHBondContact OG-CA 3.44Å; G670-F672 PolarHBondContact O-N 3.01Å; G670-F672 VanDerWaalsContact O-N 3.13Å
673H90.2Very high75.7Confident38 Ų3869 Ų6918%0.17637%0.372CS..  trans-155.7141.3175.4170.284.1000109.9E107 S213 S214 Q669E107-H673 VanDerWaalsContact CD-ND1 3.32Å; E107-H673 HydrophobicContact CG-CB 4.36Å; E107-H673 IonicContact OE1-CE1 3.21Å; E107-H673 PolarHBondContact OE1-CE1 2.71Å; E107-H673 IonicContact OE1-CG 3.9Å; E107-H673 IonicContact OE1-ND1 2.81Å; E107-H673 PolarHBondContact OE1-ND1 3.07Å; E107-H673 IonicContact OE2-ND1 3.36Å; S213-H673 WeakPolarHBondContact CB-O 3.36Å; S213-H673 PolarHBondContact OG-O 3.03Å; S214-H673 PolarHBondContact OG-N 3.17Å; Q669-H673 HydrophobicContact CB-CB 4.5Å; Q669-H673 HydrophobicContact CG-CB 4.06Å; Q669-H673 PolarHBondContact NE2-CD2 3.02Å; Q669-H673 PolarHBondContact NE2-NE2 3.48Å
674F93.4Very high76.6Confident0 Ų064.4 Ų64.40%036%0.36CS..  trans-136.3117172.9-163.9-86.9000111.1F9 I11 F105 K188 L190 L209 S213 L223 L677F9-F674 HydrophobicContact CE1-CE1 4.17Å; F9-F674 HydrophobicContact CE1-CZ 4.26Å; F9-F674 HydrophobicContact CZ-CE1 4.03Å; F9-F674 AromaticContact CZ-CZ 3.91Å; F9-F674 HydrophobicContact CZ-CZ 3.91Å; I11-F674 HydrophobicContact CD1-CD1 3.76Å; I11-F674 HydrophobicContact CD1-CE1 3.55Å; I11-F674 HydrophobicContact CG1-CD1 4.49Å; I11-F674 HydrophobicContact CG1-CE1 4.31Å; F105-F674 HydrophobicContact CE2-CB 4.48Å; F105-F674 HydrophobicContact CZ-CB 3.71Å; K188-F674 WeakPolarHBondContact CE-O 3.45Å; K188-F674 PolarHBondContact NZ-O 2.85Å; L190-F674 HydrophobicContact CD1-CD2 3.6Å; L190-F674 HydrophobicContact CD1-CE2 3.88Å; L190-F674 HydrophobicContact CD1-CG 4.02Å; L190-F674 HydrophobicContact CD1-CZ 4.46Å; L190-F674 HydrophobicContact CD2-CB 4.08Å; L190-F674 HydrophobicContact CD2-CD1 3.53Å; L190-F674 HydrophobicContact CD2-CD2 4.01Å; L190-F674 HydrophobicContact CD2-CE1 3.94Å; L190-F674 HydrophobicContact CD2-CE2 4.42Å; L190-F674 HydrophobicContact CD2-CG 3.56Å; L190-F674 HydrophobicContact CD2-CZ 4.38Å; L190-F674 HydrophobicContact CG-CD2 4.43Å; L190-F674 HydrophobicContact CG-CG 4.39Å; L209-F674 HydrophobicContact CD1-CE2 4.29Å; L209-F674 HydrophobicContact CD2-CE2 3.84Å; L209-F674 HydrophobicContact CD2-CZ 3.91Å; L209-F674 HydrophobicContact CG-CE2 3.72Å; L209-F674 HydrophobicContact CG-CZ 4.2Å; S213-F674 VanDerWaalsContact CB-CD2 3.48Å; S213-F674 WeakPolarHBondContact OG-CD2 3.31Å; L223-F674 HydrophobicContact CD1-CE2 4.26Å; L223-F674 HydrophobicContact CD1-CZ 4.46Å; L223-F674 HydrophobicContact CD2-CE2 4.31Å; F674-L677 HydrophobicContact CE1-CD1 4.18Å; F674-L677 HydrophobicContact CE1-CD2 4.2Å; F674-L677 HydrophobicContact CE1-CG 4.13Å; F674-L677 HydrophobicContact CZ-CD1 4.19Å; F674-L677 HydrophobicContact CZ-CD2 4.21Å; F674-L677 HydrophobicContact CZ-CG 4.43Å
675P91Very high77.3Confident37 Ų3766.4 Ų66.424%0.2435%0.352CS..PPolyproline II helixtrans-75.8162.5-178.132.2-35.6000112.3L223L223-P675 HydrophobicContact CD1-CG 3.58Å
676L90.7Very high77.5Confident95 Ų9561.4 Ų61.450%0.49733%0.333SS..PPolyproline II helixtrans-68.3140.6162.4-64.3177.5000109.2I11 L46I11-L676 HydrophobicContact CD1-CD2 4.32Å; L46-L676 HydrophobicContact CB-CD2 4.03Å
677L91.8Very high77.5Confident12 Ų1266.1 Ų66.16%0.06335%0.345CS..PPolyproline II helixtrans-94157.5-175.9-57.9176.2000110.6F9 Y49 L223 E224 V227 F674 G679 L682F9-L677 HydrophobicContact CD1-CD1 4.26Å; F9-L677 HydrophobicContact CE1-CD1 3.75Å; Y49-L677 HydrophobicContact CE2-CB 4.23Å; Y49-L677 HydrophobicContact CE2-CD1 4.33Å; Y49-L677 PolarHBondContact OH-O 3.39Å; L223-L677 HydrophobicContact CB-CD2 3.65Å; L223-L677 HydrophobicContact CD1-CD2 4.24Å; E224-L677 HydrophobicContact CG-CB 4.23Å; E224-L677 HydrophobicContact CG-CD2 4.43Å; V227-L677 HydrophobicContact CB-CD1 4.15Å; V227-L677 HydrophobicContact CG1-CD1 4.22Å; V227-L677 HydrophobicContact CG2-CD1 3.67Å; F674-L677 HydrophobicContact CE1-CD1 4.18Å; F674-L677 HydrophobicContact CE1-CD2 4.2Å; F674-L677 HydrophobicContact CE1-CG 4.13Å; F674-L677 HydrophobicContact CZ-CD1 4.19Å; F674-L677 HydrophobicContact CZ-CD2 4.21Å; F674-L677 HydrophobicContact CZ-CG 4.43Å; L677-G679 PolarHBondContact O-N 3.21Å; L677-L682 HydrophobicContact CB-CD1 3.77Å; L677-L682 HydrophobicContact CD1-CD1 3.79Å; L677-L682 HydrophobicContact CG-CD1 4.44Å
678D88.2Confident77.1Confident66 Ų6667.3 Ų67.335%0.35334%0.342SS..  trans-73.4111.2169.8-168.4-15.7000110.6E224 D680 L681E224-D678 HydrophobicContact CG-CB 4.35Å; E224-D678 PolarHBondContact OE1-N 3.43Å; E224-D678 VanDerWaalsContact OE1-N 3.15Å; D678-D680 VanDerWaalsContact C-N 3.29Å; D678-D680 PolarHBondContact O-N 3Å; D678-D680 PolarHBondContact OD1-N 2.85Å; D678-D680 VanDerWaalsContact OD1-N 3.09Å; D678-L681 HydrophobicContact CB-CD1 4.11Å; D678-L681 HydrophobicContact CB-CG 4.26Å; D678-L681 PolarHBondContact O-N 3.4Å
679G86.4Confident76.5Confident21 Ų2166.8 Ų66.822%0.21634%0.335CS..Hα-helixtrans-65.4-30.4-178.500000113.9Y49 L677 L681 L682 E683Y49-G679 VanDerWaalsContact CE1-CA 3.42Å; L677-G679 PolarHBondContact O-N 3.21Å; G679-L681 PolarHBondContact O-N 3.49Å; G679-L682 PolarHBondContact O-N 3Å; G679-E683 PolarHBondContact O-N 2.93Å
680D85Confident75.6Confident129 Ų12973.7 Ų73.769%0.6936%0.364SS*.Hα-helixtrans-67.1-28.1-176.9-67.6-22.5000111.6D678D678-D680 VanDerWaalsContact C-N 3.29Å; D678-D680 PolarHBondContact O-N 3Å; D678-D680 PolarHBondContact OD1-N 2.85Å; D678-D680 VanDerWaalsContact OD1-N 3.09Å
681L85.4Confident74.2Confident43 Ų4380.6 Ų80.623%0.22539%0.389CS..Hα-helixtrans-78.8-20.5175.2-63.5179.8000113.3E224 Y228 L655 D678 G679E224-L681 HydrophobicContact CB-CB 4.29Å; E224-L681 HydrophobicContact CB-CD1 4.18Å; E224-L681 HydrophobicContact CG-CB 4.42Å; E224-L681 HydrophobicContact CG-CD1 4.13Å; Y228-L681 WeakPolarHBondContact CD2-O 3.11Å; L655-L681 HydrophobicContact CD1-CB 4.38Å; D678-L681 HydrophobicContact CB-CD1 4.11Å; D678-L681 HydrophobicContact CB-CG 4.26Å; D678-L681 PolarHBondContact O-N 3.4Å; G679-L681 PolarHBondContact O-N 3.49Å
682L89.4Confident72.5Confident0 Ų077.4 Ų77.40%038%0.381CS..Hα-helixtrans-99.9-9.1-172.5-64.7178.8000113.8Y49 E224 V227 H232 L677 G679Y49-L682 HydrophobicContact CD1-CB 3.92Å; Y49-L682 HydrophobicContact CD1-CD1 3.65Å; Y49-L682 HydrophobicContact CD1-CG 4.4Å; Y49-L682 HydrophobicContact CD2-CD1 3.78Å; Y49-L682 HydrophobicContact CE1-CD1 3.95Å; Y49-L682 HydrophobicContact CE2-CD1 4.05Å; Y49-L682 HydrophobicContact CG-CB 4.12Å; Y49-L682 HydrophobicContact CG-CD1 3.55Å; Y49-L682 HydrophobicContact CG-CG 4.5Å; E224-L682 HydrophobicContact CB-CD2 4.15Å; E224-L682 VanDerWaalsContact O-CD2 3.3Å; E224-L682 WeakPolarHBondContact O-CD2 3.39Å; V227-L682 HydrophobicContact CB-CD1 4.47Å; V227-L682 HydrophobicContact CB-CD2 3.89Å; V227-L682 HydrophobicContact CG1-CD1 3.99Å; V227-L682 HydrophobicContact CG1-CD2 3.9Å; H232-L682 PolarHBondContact NE2-O 2.89Å; L677-L682 HydrophobicContact CB-CD1 3.77Å; L677-L682 HydrophobicContact CD1-CD1 3.79Å; L677-L682 HydrophobicContact CG-CD1 4.44Å; G679-L682 PolarHBondContact O-N 3Å
683E85.6Confident70.7Confident55 Ų5577.6 Ų77.626%0.25738%0.382SS..SBendtrans-69153.2171-68.4-53.7141.900112K51 G679 Q685K51-E683 WeakPolarHBondContact CB-OE1 3.37Å; K51-E683 WeakPolarHBondContact CG-OE1 3.31Å; K51-E683 PolarHBondContact N-OE1 2.8Å; G679-E683 PolarHBondContact O-N 2.93Å; E683-Q685 PolarHBondContact O-N 3.12Å
684D70.6Confident68.8Low74 Ų7480.1 Ų80.140%0.39640%0.402SS..  trans-70.294.9-178.4-172.77.8000111.3L686D684-L686 PolarHBondContact O-N 2.99Å; D684-L686 VanDerWaalsContact O-N 3.16Å; D684-L686 WeakPolarHBondContact OD1-CB 3.31Å; D684-L686 VanDerWaalsContact OD1-CD1 3.29Å; D684-L686 WeakPolarHBondContact OD1-CD1 3.32Å; D684-L686 PolarHBondContact OD1-N 2.83Å
685Q61.2Low66.8Low108 Ų10881 Ų8151%0.50541%0.406SS..G310 helixtrans-67-6.5176.7-64-99.6-2.900112.4E683 K687 D688E683-Q685 PolarHBondContact O-N 3.12Å; Q685-K687 PolarHBondContact O-N 2.87Å; Q685-D688 PolarHBondContact O-N 3.26Å
686L53.9Low65Low48 Ų4882 Ų8225%0.25140%0.404SS..G310 helixtrans-66.8-10.9177.3-87.1113.8000114.5D684 D688 R689D684-L686 PolarHBondContact O-N 2.99Å; D684-L686 VanDerWaalsContact O-N 3.16Å; D684-L686 WeakPolarHBondContact OD1-CB 3.31Å; D684-L686 VanDerWaalsContact OD1-CD1 3.29Å; D684-L686 WeakPolarHBondContact OD1-CD1 3.32Å; D684-L686 PolarHBondContact OD1-N 2.83Å; L686-D688 PolarHBondContact O-N 3.33Å; L686-R689 PolarHBondContact O-N 3.14Å
687K51.4Low63.2Low177 Ų17782.7 Ų82.777%0.7741%0.405SS*.G310 helixtrans-53.9-27.5170.1-77.2-176.6-178.4169.40112.3Q685Q685-K687 PolarHBondContact O-N 2.87Å
688D43.3Very low61.3Low154 Ų15490.5 Ų90.582%0.82443%0.434SS*.THydrogen-bonded Turntrans-106.6-18.7178.9-95.7-27.9000115.7Q685 L686 K690Q685-D688 PolarHBondContact O-N 3.26Å; L686-D688 PolarHBondContact O-N 3.33Å; D688-K690 PolarHBondContact O-N 3.45Å; D688-K690 VanDerWaalsContact O-N 3.12Å
689R42.5Very low59.6Low159 Ų15990.4 Ų90.460%0.643%0.429SS*.  trans-83.994180-73.9-171.8172.1-174.5-0.1111.2L686 K691L686-R689 PolarHBondContact O-N 3.14Å; R689-K691 PolarHBondContact O-N 3.33Å
690K45.1Very low57.8Low216 Ų21697.7 Ų97.794%0.93946%0.455SS*.SBendtrans-53-14.7166.8-76.1-174.5179.3177.80114.6D688D688-K690 PolarHBondContact O-N 3.45Å; D688-K690 VanDerWaalsContact O-N 3.12Å
691K39.3Very low56.2Low163 Ų163100.6 Ų100.671%0.70946%0.457SS*.SBendtrans-112.3111.2174.6-68.8-178.1179.5179.60108R689R689-K691 PolarHBondContact O-N 3.33Å
692G47.8Very low54.4Low25 Ų25100.6 Ų100.626%0.25846%0.456SS..  trans-54160.5171.300000111.5Q697G692-Q697 PolarHBondContact O-NE2 2.79Å
693S52.6Low52.1Low9 Ų9102 Ų1026%0.06347%0.471CS..  trans-50.1153.2-177.161.10000113.2W695 R696 Q697S693-W695 PolarHBondContact O-N 3.46Å; S693-W695 WeakPolarHBondContact OG-CH2 3.39Å; S693-W695 WeakPolarHBondContact OG-CZ2 3.39Å; S693-W695 WeakPolarHBondContact OG-CZ3 3.18Å; S693-R696 WeakPolarHBondContact O-CB 3.18Å; S693-R696 PolarHBondContact O-N 3.2Å; S693-R696 WeakPolarHBondContact OG-CG 3.46Å; S693-Q697 PolarHBondContact O-N 3.41Å
694P49.7Very low50Low91 Ų91103.1 Ų103.159%0.59149%0.489SS*.Hα-helixtrans-51.7-34.7-174.3-28.735.2000114.7Q697 R698P694-Q697 PolarHBondContact O-N 2.96Å; P694-R698 PolarHBondContact O-N 3.35Å; P694-R698 VanDerWaalsContact O-N 3.13Å
695W52.7Low48.1Very low19 Ų19106.4 Ų106.47%0.07251%0.507CS..Hα-helixtrans-79.9-29.1176.177.783.5000113.4E233 P650 S693 Q697 R698 Y699E233-W695 HydrophobicContact CB-CH2 3.15Å; E233-W695 HydrophobicContact CB-CZ2 3.89Å; E233-W695 HydrophobicContact CB-CZ3 3.57Å; E233-W695 HydrophobicContact CG-CH2 3.38Å; E233-W695 HydrophobicContact CG-CZ2 4.4Å; E233-W695 HydrophobicContact CG-CZ3 3.85Å; E233-W695 VanDerWaalsContact O-CZ2 3.25Å; E233-W695 WeakPolarHBondContact O-CZ2 2.96Å; P650-W695 HydrophobicContact CG-CB 4.37Å; P650-W695 HydrophobicContact CG-CE3 4.45Å; S693-W695 PolarHBondContact O-N 3.46Å; S693-W695 WeakPolarHBondContact OG-CH2 3.39Å; S693-W695 WeakPolarHBondContact OG-CZ2 3.39Å; S693-W695 WeakPolarHBondContact OG-CZ3 3.18Å; W695-Q697 PolarHBondContact O-N 3.33Å; W695-R698 CarbonylContact O-C 3.57Å; W695-R698 PolarHBondContact O-N 3.23Å; W695-Y699 HydrophobicContact CB-CD2 4.18Å; W695-Y699 PolarHBondContact O-N 2.92Å
696R53.2Low46.7Very low57 Ų57106.4 Ų106.422%0.21552%0.518CS..Hα-helixtrans-58.6-32.1170.6-78.9179.7175.8-122.38.1110.6E2 S693E2-R696 VanDerWaalsContact CD-NH1 3.35Å; E2-R696 IonicContact OE1-CZ 3.17Å; E2-R696 IonicContact OE1-NH1 3.68Å; E2-R696 PolarHBondContact OE1-NH1 3.13Å; E2-R696 IonicContact OE1-NH2 3.46Å; E2-R696 IonicContact OE2-CZ 3.88Å; E2-R696 IonicContact OE2-NH1 3.73Å; E2-R696 PolarHBondContact OE2-NH1 3.2Å; E2-R696 IonicContact OE2-NH2 3.68Å; E2-R696 PolarHBondContact OE2-NH2 3.16Å; S693-R696 WeakPolarHBondContact O-CB 3.18Å; S693-R696 PolarHBondContact O-N 3.2Å; S693-R696 WeakPolarHBondContact OG-CG 3.46Å
697Q51.7Low45.6Very low111 Ų111107.8 Ų107.852%0.51954%0.537SS..Hα-helixtrans-75.1-39.1172.6-60176.222.800112.2G692 S693 P694 W695G692-Q697 PolarHBondContact O-NE2 2.79Å; S693-Q697 PolarHBondContact O-N 3.41Å; P694-Q697 PolarHBondContact O-N 2.96Å; W695-Q697 PolarHBondContact O-N 3.33Å
698R51.7Low44.4Very low175 Ų175104 Ų10466%0.6653%0.533SS*.Hα-helixtrans-70.8-32.8-178.5-144.9-177.6-111.3177.6-6.9112.7P694 W695P694-R698 PolarHBondContact O-N 3.35Å; P694-R698 VanDerWaalsContact O-N 3.13Å; W695-R698 CarbonylContact O-C 3.57Å; W695-R698 PolarHBondContact O-N 3.23Å
699Y53.8Low43.7Very low64 Ų64103.7 Ų103.725%0.25153%0.53SS..  trans-123.479.6-178.6-59.9-78.2000110.4Y647 W695 Y701 F702Y647-Y699 AromaticContact CD1-CD1 3.76Å; Y647-Y699 HydrophobicContact CD1-CD1 3.76Å; Y647-Y699 AromaticContact CD1-CE1 3.78Å; Y647-Y699 HydrophobicContact CD1-CE1 3.78Å; Y647-Y699 HydrophobicContact CD1-CG 4.21Å; Y647-Y699 AromaticContact CE1-CD1 3.74Å; Y647-Y699 HydrophobicContact CE1-CD1 3.74Å; Y647-Y699 HydrophobicContact CE1-CE1 4.14Å; Y647-Y699 HydrophobicContact CE1-CG 4.29Å; W695-Y699 HydrophobicContact CB-CD2 4.18Å; W695-Y699 PolarHBondContact O-N 2.92Å; Y699-Y701 PolarHBondContact O-N 2.82Å; Y699-F702 HydrophobicContact CG-CE2 4.41Å; Y699-F702 PolarHBondContact O-N 2.86Å; Y699-F702 VanDerWaalsContact O-N 3.08Å
700K48.8Very low42.9Very low175 Ų175104.5 Ų104.576%0.76154%0.54SS*.G310 helixtrans-55-22-178-70.7-172.4178.5-178.70114.7F702 G703K700-F702 PolarHBondContact O-N 3.41Å; K700-G703 PolarHBondContact O-N 3.12Å
701Y51.4Low41.9Very low189 Ų189100.7 Ų100.774%0.74154%0.535SS*.G310 helixtrans-62.9-17.2177-60.7-75.9000114Y699Y699-Y701 PolarHBondContact O-N 2.82Å
702F47.7Very low41.3Very low43 Ų4397.3 Ų97.319%0.18953%0.532CS..G310 helixtrans-87.9-8171.8-65.4-78.2000113.3P235 L236 P238 Y647 Y699 K700P235-F702 HydrophobicContact CB-CD1 4.36Å; P235-F702 HydrophobicContact CB-CE1 4.08Å; P235-F702 HydrophobicContact CB-CZ 4.48Å; L236-F702 WeakPolarHBondContact O-CE1 3.38Å; P238-F702 HydrophobicContact CG-CE1 4.14Å; P238-F702 HydrophobicContact CG-CZ 4.38Å; Y647-F702 AromaticContact CD1-CE2 3.95Å; Y647-F702 HydrophobicContact CD1-CE2 3.95Å; Y647-F702 HydrophobicContact CD1-CZ 4.29Å; Y647-F702 HydrophobicContact CD2-CZ 4.26Å; Y647-F702 AromaticContact CE1-CE2 3.66Å; Y647-F702 HydrophobicContact CE1-CE2 3.66Å; Y647-F702 HydrophobicContact CE1-CZ 4.05Å; Y647-F702 HydrophobicContact CE2-CE2 4.46Å; Y647-F702 HydrophobicContact CE2-CZ 4.02Å; Y647-F702 HydrophobicContact CG-CE2 4.49Å; Y647-F702 HydrophobicContact CG-CZ 4.4Å; Y647-F702 AromaticContact CZ-CE2 3.95Å; Y647-F702 AromaticContact CZ-CZ 3.92Å; Y699-F702 HydrophobicContact CG-CE2 4.41Å; Y699-F702 PolarHBondContact O-N 2.86Å; Y699-F702 VanDerWaalsContact O-N 3.08Å; K700-F702 PolarHBondContact O-N 3.41Å
703G40.4Very low40.5Very low31 Ų31105.4 Ų105.432%0.3256%0.56SS.*SBendtrans-78.5148.9176.400000112K700 D705K700-G703 PolarHBondContact O-N 3.12Å; G703-D705 PolarHBondContact O-N 2.75Å
704A42.2Very low39.4Very low77 Ų77112.6 Ų112.664%0.63660%0.598SS**G310 helixtrans-57.92.1-169.300000117.8S706 A707A704-S706 VanDerWaalsContact C-N 3.28Å; A704-S706 PolarHBondContact O-N 3.19Å; A704-A707 PolarHBondContact O-N 3.37Å; A704-A707 VanDerWaalsContact O-N 3.15Å
705D30.4Very low38.3Very low144 Ų144111.9 Ų111.977%0.7760%0.6SS**G310 helixtrans-75.3-9.6-173.3-76.1-16.7000114.6G703 A707 S708G703-D705 PolarHBondContact O-N 2.75Å; D705-A707 PolarHBondContact O-N 3.46Å; D705-S708 PolarHBondContact O-OG 3.29Å
706S31.6Very low36.9Very low107 Ų107121.7 Ų121.775%0.74864%0.637SS**G310 helixtrans-75-0.8167.8-51.90000113.9A704A704-S706 VanDerWaalsContact C-N 3.28Å; A704-S706 PolarHBondContact O-N 3.19Å
707A30.8Very low35.7Very low77 Ų77125.6 Ų125.664%0.63667%0.669SS**G310 helixtrans-105.111.6177.200000114.1A704 D705 I709A704-A707 PolarHBondContact O-N 3.37Å; A704-A707 VanDerWaalsContact O-N 3.15Å; D705-A707 PolarHBondContact O-N 3.46Å; A707-I709 PolarHBondContact O-N 3.07Å
708S25.7Very low34.4Very low98 Ų98124.6 Ų124.669%0.68568%0.675SS**  trans-76.553.3168.556.70000111.5D705 E710D705-S708 PolarHBondContact O-OG 3.29Å; S708-E710 PolarHBondContact O-N 3.13Å
709I29.2Very low33.3Very low148 Ų148120.5 Ų120.576%0.75967%0.673SS**  trans-73110.4154-65.6174.4000104.6A707 T711A707-I709 PolarHBondContact O-N 3.07Å; I709-T711 PolarHBondContact O-N 3.04Å
710E24.1Very low31.9Very low175 Ų175123.4 Ų123.482%0.81870%0.697SS**  trans-39.7110.1178.4-65.6178.6155.200110.5S708 S712S708-E710 PolarHBondContact O-N 3.13Å; E710-S712 PolarHBondContact O-N 3.45Å
711T25.7Very low30.8Very low136 Ų136118.8 Ų118.883%0.83469%0.687SS**  trans-71.675.4168.139.10000107.6I709 K713I709-T711 PolarHBondContact O-N 3.04Å; T711-K713 PolarHBondContact O-N 2.76Å
712S25.4Very low29.5Very low93 Ų93115.9 Ų115.965%0.6568%0.676SS**  trans-61.4103.7161.349.50000107E710 D714E710-S712 PolarHBondContact O-N 3.45Å; S712-D714 PolarHBondContact O-N 2.89Å
713K30.9Very low28.4Very low195 Ų195121.4 Ų121.485%0.84870%0.702SS**THydrogen-bonded Turntrans-62.583.3167.2-73.8-179.8175177.90107.5T711T711-K713 PolarHBondContact O-N 2.76Å
714D29.4Very low27.8Very low159 Ų159123.1 Ų123.185%0.8571%0.713SS**THydrogen-bonded Turntrans-179.416.4156-88.6-22.5000113.6S712 R716S712-D714 PolarHBondContact O-N 2.89Å; D714-R716 PolarHBondContact O-N 3.32Å; D714-R716 VanDerWaalsContact O-N 3.14Å
715A27Very low26.9Very low77 Ų77124.1 Ų124.164%0.63672%0.721SS**  trans-81.195.7169.900000110.6
716R22.9Very low26.8Very low225 Ų225121.1 Ų121.185%0.84971%0.705SS**  trans-43.5144.4152.5-74.9176.6175.4171-1.3108.7D714 S718D714-R716 PolarHBondContact O-N 3.32Å; D714-R716 VanDerWaalsContact O-N 3.14Å; R716-S718 VanDerWaalsContact C-N 3.3Å; R716-S718 PolarHBondContact O-N 2.96Å
717P29.7Very low26.6Very low138 Ų138121.5 Ų121.590%0.89670%0.698SS**  trans-6392.4-168.627.5-33.7000109.7
718S23.9Very low26.5Very low91 Ų91119.8 Ų119.864%0.63668%0.68SS**  trans-86136.6176.751.60000108.1R716R716-S718 VanDerWaalsContact C-N 3.3Å; R716-S718 PolarHBondContact O-N 2.96Å
719S27.3Very low26.9Very low88 Ų88117.2 Ų117.262%0.61566%0.661SS**  trans60.68617261.50000115.1S721S719-S721 PolarHBondContact O-N 3.1Å
720V24.9Very low27.2Very low126 Ų126112.7 Ų112.776%0.76464%0.638SS**  trans-51.398.6138.2-179.50000105.6Y722V720-Y722 PolarHBondContact O-N 3.4Å; V720-Y722 VanDerWaalsContact O-N 3.14Å
721S25.4Very low27.9Very low78 Ų78105 Ų10555%0.54560%0.602SS.*  trans-57120.2170.854.10000106.6S719 Q723S719-S721 PolarHBondContact O-N 3.1Å; S721-Q723 PolarHBondContact O-N 3.02Å
722Y25.5Very low28.2Very low128 Ų128102 Ų10250%0.50258%0.583SS.*  trans-67.967.5178.1-79.6-99.5000109.9V547 V720 A724V547-Y722 HydrophobicContact CG1-CE1 4.17Å; V547-Y722 VanDerWaalsContact CG1-OH 3.31Å; V547-Y722 WeakPolarHBondContact CG1-OH 3.37Å; V547-Y722 HydrophobicContact CG2-CE1 4.29Å; V720-Y722 PolarHBondContact O-N 3.4Å; V720-Y722 VanDerWaalsContact O-N 3.14Å; Y722-A724 PolarHBondContact O-N 3.35Å
723Q24.7Very low28.4Very low159 Ų159101.6 Ų101.674%0.74359%0.586SS**  trans-77.1110.8153.1-73.9-179.9-12.600104.2S721 A725S721-Q723 PolarHBondContact O-N 3.02Å; Q723-A725 VanDerWaalsContact C-N 3.33Å; Q723-A725 PolarHBondContact O-N 3Å
724A27.1Very low28.4Very low67 Ų6796.1 Ų96.155%0.55457%0.572SS**  trans-48105.1170.400000107.4Y722 I726Y722-A724 PolarHBondContact O-N 3.35Å; A724-I726 HydrophobicContact CB-CG1 4.41Å; A724-I726 PolarHBondContact O-N 2.8Å
725A23.4Very low28.8Very low98 Ų9890.5 Ų90.581%0.8154%0.541SS*.  trans-7072.3171.600000106.8Q723 D727Q723-A725 VanDerWaalsContact C-N 3.33Å; Q723-A725 PolarHBondContact O-N 3Å; A725-D727 PolarHBondContact O-N 3.47Å
726I28.1Very low29.4Very low81 Ų8190.5 Ų90.542%0.41553%0.533SS..  trans-82.1102156.7-59.7176.5000102.4A724 P728A724-I726 HydrophobicContact CB-CG1 4.41Å; A724-I726 PolarHBondContact O-N 2.8Å; I726-P728 WeakPolarHBondContact O-CD 3.49Å; I726-P728 WeakPolarHBondContact O-CG 3.35Å
727D26.6Very low30.1Very low114 Ų11483.1 Ų83.161%0.6152%0.516SS*.  trans-4898.4168.7-92.5-47.7000108.7S93 A725 T729S93-D727 VanDerWaalsContact O-OD1 3.05Å; A725-D727 PolarHBondContact O-N 3.47Å; D727-T729 PolarHBondContact O-N 3Å; D727-T729 VanDerWaalsContact O-N 3.11Å
728P29.3Very low30.6Very low41 Ų4181.3 Ų81.327%0.26650%0.498SS..  trans-94.268.8174.223.5-0.8000104.6V91 R92 S93 G95 I726V91-P728 CarbonylContact C-O 3.1Å; V91-P728 HydrophobicContact CB-CB 4.31Å; V91-P728 HydrophobicContact CG1-CB 3.5Å; V91-P728 VanDerWaalsContact CG1-CB 3.5Å; V91-P728 HydrophobicContact CG1-CG 3.51Å; R92-P728 CarbonylContact C-O 3.59Å; R92-P728 VanDerWaalsContact O-CD 3.32Å; R92-P728 WeakPolarHBondContact O-CD 3.35Å; S93-P728 WeakPolarHBondContact O-CD 3.25Å; G95-P728 VanDerWaalsContact CA-CG 3.46Å; I726-P728 WeakPolarHBondContact O-CD 3.49Å; I726-P728 WeakPolarHBondContact O-CG 3.35Å
729T33.5Very low31.4Very low44 Ų4478.6 Ų78.627%0.2748%0.475SS..  trans-71.7137.3-175.1-22.40000109D727 L731 Q735D727-T729 PolarHBondContact O-N 3Å; D727-T729 VanDerWaalsContact O-N 3.11Å; T729-L731 PolarHBondContact O-N 3.18Å; T729-L731 VanDerWaalsContact O-N 3.09Å; T729-Q735 PolarHBondContact OG1-NE2 3.07Å
730I36.6Very low32.2Very low54 Ų5478.6 Ų78.628%0.27747%0.471SS..  trans-39.7120151.8-60.5172.9000107.2E61 V91 T732E61-I730 HydrophobicContact CB-CD1 4.39Å; V91-I730 WeakPolarHBondContact O-CG1 3.11Å; I730-T732 VanDerWaalsContact C-N 3.28Å; I730-T732 PolarHBondContact O-N 3.43Å
731L38.2Very low33.3Very low14 Ų1478.3 Ų78.37%0.07346%0.461CS..  trans-62.487.3-176.1-67.5164.6000109.2V325 Q332 F335 M344 T729V325-L731 HydrophobicContact CG2-CD1 4.26Å; Q332-L731 PolarHBondContact NE2-O 2.9Å; F335-L731 HydrophobicContact CB-CD1 4.06Å; F335-L731 HydrophobicContact CD1-CB 4.44Å; F335-L731 HydrophobicContact CD1-CD1 4.09Å; F335-L731 HydrophobicContact CD1-CD2 3.91Å; F335-L731 HydrophobicContact CD1-CG 4.37Å; F335-L731 HydrophobicContact CD2-CB 4.07Å; F335-L731 HydrophobicContact CD2-CD1 3.69Å; F335-L731 HydrophobicContact CD2-CG 4.38Å; F335-L731 HydrophobicContact CE1-CB 4Å; F335-L731 HydrophobicContact CE1-CD1 4.48Å; F335-L731 HydrophobicContact CE1-CD2 3.91Å; F335-L731 HydrophobicContact CE1-CG 4.35Å; F335-L731 HydrophobicContact CE2-CB 3.6Å; F335-L731 HydrophobicContact CE2-CD1 4.13Å; F335-L731 HydrophobicContact CE2-CG 4.37Å; F335-L731 HydrophobicContact CG-CB 4.49Å; F335-L731 HydrophobicContact CG-CD1 3.68Å; F335-L731 HydrophobicContact CG-CD2 4.36Å; F335-L731 HydrophobicContact CG-CG 4.4Å; F335-L731 HydrophobicContact CZ-CB 3.57Å; F335-L731 HydrophobicContact CZ-CD2 4.38Å; F335-L731 HydrophobicContact CZ-CG 4.37Å; M344-L731 HydrophobicContact CE-CD1 4.46Å; T729-L731 PolarHBondContact O-N 3.18Å; T729-L731 VanDerWaalsContact O-N 3.09Å
732T31.5Very low34.5Very low71 Ų7182.1 Ų82.144%0.43647%0.468SS..  trans-88.5153.217650.30000110.3I730 S734 Q735I730-T732 VanDerWaalsContact C-N 3.28Å; I730-T732 PolarHBondContact O-N 3.43Å; T732-S734 PolarHBondContact O-N 3.27Å; T732-Q735 WeakPolarHBondContact O-CB 3.24Å; T732-Q735 PolarHBondContact O-N 3.48Å
733A30Very low35.9Very low86 Ų8677.7 Ų77.771%0.71145%0.45SS*.THydrogen-bonded Turntrans-51.7-26.7-178.500000114.5Q735 V736A733-Q735 PolarHBondContact O-N 3.26Å; A733-V736 WeakPolarHBondContact O-CB 3.13Å; A733-V736 PolarHBondContact O-N 3.47Å; A733-V736 VanDerWaalsContact O-N 3.14Å
734S31.2Very low37.7Very low80 Ų8072.2 Ų72.256%0.55943%0.429SS*.Hα-helixtrans-52-38170.7168.60000112.6T732 V736 S737T732-S734 PolarHBondContact O-N 3.27Å; S734-V736 VanDerWaalsContact C-N 3.34Å; S734-V736 PolarHBondContact O-N 3.46Å; S734-S737 WeakPolarHBondContact O-CB 3.35Å; S734-S737 PolarHBondContact O-N 2.8Å; S734-S737 PolarHBondContact O-OG 3.15Å
735Q38.7Very low39.8Very low40 Ų4074.9 Ų74.919%0.18743%0.429CS..Hα-helixtrans-70.8-26.4-178.6-68.3-168.3-11.100113.4T729 T732 A733 S737 L738 F739T729-Q735 PolarHBondContact OG1-NE2 3.07Å; T732-Q735 WeakPolarHBondContact O-CB 3.24Å; T732-Q735 PolarHBondContact O-N 3.48Å; A733-Q735 PolarHBondContact O-N 3.26Å; Q735-S737 PolarHBondContact O-N 3.49Å; Q735-S737 VanDerWaalsContact O-N 3.16Å; Q735-L738 CarbonylContact O-C 3.45Å; Q735-L738 WeakPolarHBondContact O-CA 3.32Å; Q735-L738 WeakPolarHBondContact O-CB 3.4Å; Q735-L738 PolarHBondContact O-N 3Å; Q735-F739 HydrophobicContact CB-CD2 4.16Å; Q735-F739 HydrophobicContact CB-CE2 4.18Å; Q735-F739 WeakPolarHBondContact O-CD2 3.3Å; Q735-F739 PolarHBondContact O-N 3.39Å
736V39.1Very low42.3Very low78 Ų7874.3 Ų74.347%0.47341%0.411SS..Hα-helixtrans-56.1-34.4173.8179.80000110.4F335 A733 S734 T740F335-V736 HydrophobicContact CE1-CG2 4.47Å; F335-V736 HydrophobicContact CZ-CG2 4.44Å; A733-V736 WeakPolarHBondContact O-CB 3.13Å; A733-V736 PolarHBondContact O-N 3.47Å; A733-V736 VanDerWaalsContact O-N 3.14Å; S734-V736 VanDerWaalsContact C-N 3.34Å; S734-V736 PolarHBondContact O-N 3.46Å; V736-T740 PolarHBondContact O-N 2.94Å; V736-T740 PolarHBondContact O-OG1 3.35Å
737S36.5Very low44.6Very low70 Ų7070.5 Ų70.549%0.4939%0.392SS..Hα-helixtrans-68.9-39.417379.60000112.6S734 Q735 T740 H741S734-S737 WeakPolarHBondContact O-CB 3.35Å; S734-S737 PolarHBondContact O-N 2.8Å; S734-S737 PolarHBondContact O-OG 3.15Å; Q735-S737 PolarHBondContact O-N 3.49Å; Q735-S737 VanDerWaalsContact O-N 3.16Å; S737-T740 WeakPolarHBondContact CA-OG1 3.23Å; S737-T740 PolarHBondContact O-OG1 2.82Å; S737-H741 VanDerWaalsContact O-CB 3.28Å; S737-H741 WeakPolarHBondContact O-CB 3.45Å; S737-H741 PolarHBondContact O-N 3.33Å
738L40.8Very low47Very low99 Ų9968.7 Ų68.752%0.51838%0.379SS..Hα-helixtrans-68.2-36.3174.2-99.9158.2000112.8Q735 H741 K742Q735-L738 CarbonylContact O-C 3.45Å; Q735-L738 WeakPolarHBondContact O-CA 3.32Å; Q735-L738 WeakPolarHBondContact O-CB 3.4Å; Q735-L738 PolarHBondContact O-N 3Å; L738-H741 PolarHBondContact O-N 3.18Å; L738-K742 PolarHBondContact O-N 3.03Å
739F40.5Very low49.5Very low34 Ų3473.6 Ų73.615%0.14940%0.396CS..Hα-helixtrans-63-47174.8-87.5-79.3000111.3F335 A338 F340 Q735 H741 R743F335-F739 AromaticContact CD1-CE2 3.9Å; F335-F739 HydrophobicContact CD1-CE2 3.9Å; F335-F739 HydrophobicContact CD1-CZ 4.15Å; F335-F739 HydrophobicContact CE1-CD2 4.4Å; F335-F739 AromaticContact CE1-CE2 3.83Å; F335-F739 HydrophobicContact CE1-CE2 3.83Å; A338-F739 HydrophobicContact CB-CE1 3.65Å; A338-F739 HydrophobicContact CB-CZ 4.12Å; F340-F739 HydrophobicContact CD1-CE1 4.31Å; F340-F739 HydrophobicContact CE1-CD1 4.1Å; F340-F739 AromaticContact CE1-CE1 3.2Å; F340-F739 HydrophobicContact CE1-CE1 3.2Å; F340-F739 AromaticContact CE1-CZ 3.65Å; F340-F739 HydrophobicContact CE1-CZ 3.65Å; F340-F739 HydrophobicContact CE2-CE1 4.42Å; F340-F739 HydrophobicContact CE2-CZ 4.35Å; F340-F739 AromaticContact CZ-CE1 3.3Å; F340-F739 HydrophobicContact CZ-CE1 3.3Å; F340-F739 HydrophobicContact CZ-CE2 4.45Å; F340-F739 AromaticContact CZ-CZ 3.27Å; F340-F739 HydrophobicContact CZ-CZ 3.27Å; Q735-F739 HydrophobicContact CB-CD2 4.16Å; Q735-F739 HydrophobicContact CB-CE2 4.18Å; Q735-F739 WeakPolarHBondContact O-CD2 3.3Å; Q735-F739 PolarHBondContact O-N 3.39Å; F739-H741 VanDerWaalsContact C-N 3.34Å; F739-R743 WeakPolarHBondContact O-CB 3.45Å; F739-R743 VanDerWaalsContact O-CG 3.27Å; F739-R743 WeakPolarHBondContact O-CG 3.34Å; F739-R743 PolarHBondContact O-N 3.39Å
740T44Very low51.8Low88 Ų8872.2 Ų72.254%0.5439%0.388SS..Hα-helixtrans-65.5-37.8172.935.70000111.4V736 S737 R743 S744V736-T740 PolarHBondContact O-N 2.94Å; V736-T740 PolarHBondContact O-OG1 3.35Å; S737-T740 WeakPolarHBondContact CA-OG1 3.23Å; S737-T740 PolarHBondContact O-OG1 2.82Å; T740-R743 PolarHBondContact O-N 3.32Å; T740-S744 WeakPolarHBondContact O-CB 3.3Å; T740-S744 PolarHBondContact O-N 3.15Å
741H48Very low54.1Low121 Ų12170 Ų7056%0.5638%0.376SS*.Hα-helixtrans-68-43.9179.6-137.167.6000113.9S737 L738 F739 R743 K745S737-H741 VanDerWaalsContact O-CB 3.28Å; S737-H741 WeakPolarHBondContact O-CB 3.45Å; S737-H741 PolarHBondContact O-N 3.33Å; L738-H741 PolarHBondContact O-N 3.18Å; F739-H741 VanDerWaalsContact C-N 3.34Å; H741-R743 VanDerWaalsContact C-N 3.28Å; H741-R743 PolarHBondContact O-N 2.83Å; H741-K745 PolarHBondContact O-N 3.11Å
742K51.8Low56.3Low157 Ų15776.3 Ų76.368%0.68340%0.399SS*.Hα-helixtrans-63.5-36.1175.4-95.9-174.7177.8177.20111.3L738L738-K742 PolarHBondContact O-N 3.03Å
743R54.5Low59Low36 Ų3675.2 Ų75.214%0.13639%0.389CS..Hα-helixtrans-71.9-43179.4-73.6176.8172.8-177.8-5.2112.6E337 P339 F739 T740 H741 K745 I746 V747E337-R743 PolarHBondContact O-NH2 2.85Å; P339-R743 VanDerWaalsContact CD-NH2 3.31Å; F739-R743 WeakPolarHBondContact O-CB 3.45Å; F739-R743 VanDerWaalsContact O-CG 3.27Å; F739-R743 WeakPolarHBondContact O-CG 3.34Å; F739-R743 PolarHBondContact O-N 3.39Å; T740-R743 PolarHBondContact O-N 3.32Å; H741-R743 VanDerWaalsContact C-N 3.28Å; H741-R743 PolarHBondContact O-N 2.83Å; R743-K745 VanDerWaalsContact C-N 3.27Å; R743-K745 PolarHBondContact O-N 3.07Å; R743-I746 WeakPolarHBondContact O-CB 3.47Å; R743-I746 PolarHBondContact O-N 3.41Å; R743-V747 PolarHBondContact O-N 3.31Å
744S62.9Low61.7Low43 Ų4371.2 Ų71.230%0.30136%0.356SS..Hα-helixtrans-57.7-38.3174.6171.80000112.4T740 I746 V747 E748T740-S744 WeakPolarHBondContact O-CB 3.3Å; T740-S744 PolarHBondContact O-N 3.15Å; S744-I746 VanDerWaalsContact C-N 3.28Å; S744-I746 PolarHBondContact O-N 3.29Å; S744-V747 PolarHBondContact O-N 3.4Å; S744-E748 PolarHBondContact O-N 3.23Å
745K70.4Confident64.3Low124 Ų12471.5 Ų71.554%0.53935%0.349SS..Hα-helixtrans-61.6-30.2175.4-73.8-178-179.5-178.10114.3H741 R743 K749H741-K745 PolarHBondContact O-N 3.11Å; R743-K745 VanDerWaalsContact C-N 3.27Å; R743-K745 PolarHBondContact O-N 3.07Å; K745-K749 WeakPolarHBondContact O-CB 3.46Å; K745-K749 PolarHBondContact O-N 2.94Å
746I75.6Confident66.6Low86 Ų8672.4 Ų72.444%0.44136%0.363SS..Hα-helixtrans-70.3-45177.2-61173000109.7R743 S744 K749 L750 H802R743-I746 WeakPolarHBondContact O-CB 3.47Å; R743-I746 PolarHBondContact O-N 3.41Å; S744-I746 VanDerWaalsContact C-N 3.28Å; S744-I746 PolarHBondContact O-N 3.29Å; I746-K749 PolarHBondContact O-N 3.38Å; I746-L750 HydrophobicContact CG2-CD1 4.3Å; I746-L750 WeakPolarHBondContact O-CG 3.41Å; I746-L750 PolarHBondContact O-N 2.86Å; I746-H802 WeakPolarHBondContact CG2-NE2 3.24Å
747V76.6Confident68.8Low1 Ų171.9 Ų71.91%0.00635%0.354CS..Hα-helixtrans-59.1-49.8176.6-178.70000110.1R743 S744 K749 L750 V751 F970 H973 E976R743-V747 PolarHBondContact O-N 3.31Å; S744-V747 PolarHBondContact O-N 3.4Å; V747-K749 VanDerWaalsContact C-N 3.31Å; V747-K749 PolarHBondContact O-N 3.34Å; V747-L750 PolarHBondContact O-N 3.31Å; V747-L750 VanDerWaalsContact O-N 3.13Å; V747-V751 WeakPolarHBondContact O-CG2 3.29Å; V747-V751 PolarHBondContact O-N 3.13Å; V747-F970 HydrophobicContact CG1-CD2 3.8Å; V747-F970 HydrophobicContact CG1-CE2 4.32Å; V747-F970 HydrophobicContact CG1-CG 4.41Å; V747-H973 HydrophobicContact CG1-CB 4.41Å; V747-E976 HydrophobicContact CG1-CB 3.99Å; V747-E976 HydrophobicContact CG1-CG 3.87Å
748E76.7Confident71.2Confident76 Ų7668.6 Ų68.636%0.35533%0.331SS..Hα-helixtrans-57.3-41.8176-71.9-177.4-173.900113S744 L750 V751 R752S744-E748 PolarHBondContact O-N 3.23Å; E748-L750 VanDerWaalsContact C-N 3.35Å; E748-V751 PolarHBondContact O-N 2.68Å; E748-R752 WeakPolarHBondContact O-CG 3.47Å; E748-R752 PolarHBondContact O-N 2.8Å; E748-R752 IonicContact OE2-CZ 2.72Å; E748-R752 IonicContact OE2-NH2 3.77Å; E748-R752 PolarHBondContact OE2-NH2 3.1Å
749K81.7Confident73.3Confident143 Ų14370.7 Ų70.762%0.62234%0.336SS*.Hα-helixtrans-64-41.5178.5-175.5-179.1177.2-176.80111K745 I746 V747 R752 E753K745-K749 WeakPolarHBondContact O-CB 3.46Å; K745-K749 PolarHBondContact O-N 2.94Å; I746-K749 PolarHBondContact O-N 3.38Å; V747-K749 VanDerWaalsContact C-N 3.31Å; V747-K749 PolarHBondContact O-N 3.34Å; K749-R752 PolarHBondContact O-N 3.31Å; K749-E753 WeakPolarHBondContact O-CB 3.4Å; K749-E753 PolarHBondContact O-N 3.16Å
750L83.4Confident75.2Confident16 Ų1676.2 Ų76.28%0.08436%0.356CS..Hα-helixtrans-64.6-43176.1-73.6171.3000111.7I746 V747 E748 E753 A754 R798 H802 F970I746-L750 HydrophobicContact CG2-CD1 4.3Å; I746-L750 WeakPolarHBondContact O-CG 3.41Å; I746-L750 PolarHBondContact O-N 2.86Å; V747-L750 PolarHBondContact O-N 3.31Å; V747-L750 VanDerWaalsContact O-N 3.13Å; E748-L750 VanDerWaalsContact C-N 3.35Å; L750-E753 PolarHBondContact O-N 2.79Å; L750-A754 WeakPolarHBondContact O-CB 3.19Å; L750-A754 PolarHBondContact O-N 3.5Å; L750-R798 HydrophobicContact CD2-CB 4.3Å; L750-H802 HydrophobicContact CD1-CB 3.97Å; L750-F970 HydrophobicContact CB-CD2 3.91Å; L750-F970 HydrophobicContact CB-CE2 3.98Å; L750-F970 HydrophobicContact CD1-CD2 4.24Å
751V83.2Confident77.2Confident7 Ų772.1 Ų72.14%0.04233%0.331CS..Hα-helixtrans-60.5-50.5175178.80000110.7V747 E748 E753 A754 Q755 F970 E976 Q979V747-V751 WeakPolarHBondContact O-CG2 3.29Å; V747-V751 PolarHBondContact O-N 3.13Å; E748-V751 PolarHBondContact O-N 2.68Å; V751-E753 VanDerWaalsContact C-N 3.29Å; V751-E753 PolarHBondContact O-N 3.34Å; V751-A754 PolarHBondContact O-N 3.22Å; V751-Q755 WeakPolarHBondContact O-CB 3.4Å; V751-Q755 PolarHBondContact O-N 3.4Å; V751-F970 HydrophobicContact CB-CE2 4.39Å; V751-F970 HydrophobicContact CG2-CD2 4.43Å; V751-F970 HydrophobicContact CG2-CE2 3.37Å; V751-F970 HydrophobicContact CG2-CZ 3.75Å; V751-E976 HydrophobicContact CG2-CB 3.59Å; V751-E976 HydrophobicContact CG2-CG 3.77Å; V751-Q979 HydrophobicContact CG1-CB 4.42Å
752R85.8Confident78.9Confident146 Ų14667.6 Ų67.655%0.55131%0.311SS*.Hα-helixtrans-61-39.7179.6-73.9-169.6-148.611310.3112E748 K749 A756E748-R752 WeakPolarHBondContact O-CG 3.47Å; E748-R752 PolarHBondContact O-N 2.8Å; E748-R752 IonicContact OE2-CZ 2.72Å; E748-R752 IonicContact OE2-NH2 3.77Å; E748-R752 PolarHBondContact OE2-NH2 3.1Å; K749-R752 PolarHBondContact O-N 3.31Å; R752-A756 VanDerWaalsContact O-CB 3.28Å; R752-A756 WeakPolarHBondContact O-CB 3.37Å; R752-A756 PolarHBondContact O-N 3.02Å
753E86.8Confident80.1Confident49 Ų4964.3 Ų64.323%0.22930%0.303CS..Hα-helixtrans-64.9-46.3176.4-172.3173.7179.700111.2K749 L750 V751 Q755 A756 K757 V795 R798K749-E753 WeakPolarHBondContact O-CB 3.4Å; K749-E753 PolarHBondContact O-N 3.16Å; L750-E753 PolarHBondContact O-N 2.79Å; V751-E753 VanDerWaalsContact C-N 3.29Å; V751-E753 PolarHBondContact O-N 3.34Å; E753-Q755 PolarHBondContact O-N 2.75Å; E753-A756 PolarHBondContact O-N 3.18Å; E753-K757 HydrophobicContact CG-CG 4.28Å; E753-K757 WeakPolarHBondContact O-CB 3.17Å; E753-K757 VanDerWaalsContact O-CG 3.28Å; E753-K757 WeakPolarHBondContact O-CG 3.34Å; E753-K757 PolarHBondContact O-N 3.27Å; E753-V795 HydrophobicContact CG-CG2 4.05Å; E753-R798 IonicContact OE1-CZ 2.65Å; E753-R798 IonicContact OE1-NH1 3.77Å; E753-R798 PolarHBondContact OE1-NH1 2.65Å; E753-R798 IonicContact OE1-NH2 3Å; E753-R798 PolarHBondContact OE1-NH2 2.82Å; E753-R798 IonicContact OE2-CZ 3.63Å; E753-R798 IonicContact OE2-NH1 3.71Å; E753-R798 PolarHBondContact OE2-NH1 2.82Å; E753-R798 IonicContact OE2-NH2 2.91Å; E753-R798 PolarHBondContact OE2-NH2 3.4Å
754A86.7Confident81.1Confident1 Ų166 Ų661%0.00831%0.313CS..Hα-helixtrans-59-46.8175.800000111.6L750 V751 A756 K757 T758 V795 I799 F980L750-A754 WeakPolarHBondContact O-CB 3.19Å; L750-A754 PolarHBondContact O-N 3.5Å; V751-A754 PolarHBondContact O-N 3.22Å; A754-A756 PolarHBondContact O-N 3.26Å; A754-K757 PolarHBondContact O-N 3.02Å; A754-T758 VanDerWaalsContact O-CB 3.23Å; A754-T758 WeakPolarHBondContact O-CB 3.48Å; A754-T758 PolarHBondContact O-N 2.83Å; A754-T758 PolarHBondContact O-OG1 2.88Å; A754-V795 HydrophobicContact CB-CG1 3.66Å; A754-I799 HydrophobicContact CB-CD1 4.28Å; A754-F980 HydrophobicContact CB-CD2 3.76Å; A754-F980 HydrophobicContact CB-CE2 4.2Å
755Q86.5Confident81.7Confident87 Ų8765 Ų6541%0.40730%0.303SS..Hα-helixtrans-56.5-50.5175.2179.8-179.928.600111.3V751 E753 T758 K759 H983V751-Q755 WeakPolarHBondContact O-CB 3.4Å; V751-Q755 PolarHBondContact O-N 3.4Å; E753-Q755 PolarHBondContact O-N 2.75Å; Q755-T758 PolarHBondContact O-N 3.37Å; Q755-K759 WeakPolarHBondContact O-CB 3.34Å; Q755-K759 PolarHBondContact O-N 2.82Å; Q755-H983 WeakPolarHBondContact CG-NE2 3.44Å
756A86.3Confident81.8Confident59 Ų5962.5 Ų62.549%0.48830%0.295SS..Hα-helixtrans-63-45.1-177.600000112.3R752 E753 A754 R760R752-A756 VanDerWaalsContact O-CB 3.28Å; R752-A756 WeakPolarHBondContact O-CB 3.37Å; R752-A756 PolarHBondContact O-N 3.02Å; E753-A756 PolarHBondContact O-N 3.18Å; A754-A756 PolarHBondContact O-N 3.26Å; A756-R760 VanDerWaalsContact O-CB 3.29Å; A756-R760 WeakPolarHBondContact O-CB 3.5Å; A756-R760 PolarHBondContact O-N 2.91Å
757K86.4Confident81.3Confident67 Ų6760.2 Ų60.229%0.29129%0.292SS..Hα-helixtrans-65.9-43.9178.7-66-61.9-171173.40111.7E753 A754 R760 L761 V795E753-K757 HydrophobicContact CG-CG 4.28Å; E753-K757 WeakPolarHBondContact O-CB 3.17Å; E753-K757 VanDerWaalsContact O-CG 3.28Å; E753-K757 WeakPolarHBondContact O-CG 3.34Å; E753-K757 PolarHBondContact O-N 3.27Å; A754-K757 PolarHBondContact O-N 3.02Å; K757-R760 PolarHBondContact O-N 2.66Å; K757-L761 WeakPolarHBondContact O-CB 3.15Å; K757-L761 PolarHBondContact O-N 3.46Å; K757-V795 HydrophobicContact CG-CG2 3.98Å
758T86.8Confident80.7Confident0 Ų063.3 Ų63.30%030%0.304CS..Hα-helixtrans-67.4-44.8-178.8-51.40000111.5A754 Q755 L761 L762 H983 L987A754-T758 VanDerWaalsContact O-CB 3.23Å; A754-T758 WeakPolarHBondContact O-CB 3.48Å; A754-T758 PolarHBondContact O-N 2.83Å; A754-T758 PolarHBondContact O-OG1 2.88Å; Q755-T758 PolarHBondContact O-N 3.37Å; T758-L761 PolarHBondContact O-N 3.49Å; T758-L762 WeakPolarHBondContact O-CB 3.15Å; T758-L762 PolarHBondContact O-N 2.86Å; T758-H983 HydrophobicContact CG2-CB 4.19Å; T758-H983 WeakPolarHBondContact CG2-O 3.21Å; T758-L987 HydrophobicContact CG2-CD1 3.81Å; T758-L987 HydrophobicContact CG2-CD2 3.66Å; T758-L987 HydrophobicContact CG2-CG 3.52Å
759K83.6Confident80.2Confident143 Ų14362.2 Ų62.262%0.62230%0.299SS*.Hα-helixtrans-60.7-45.7174.5-176.3179.2179.5-179.70111.4Q755 L762 V763Q755-K759 WeakPolarHBondContact O-CB 3.34Å; Q755-K759 PolarHBondContact O-N 2.82Å; K759-L762 PolarHBondContact O-N 2.93Å; K759-V763 HydrophobicContact CG-CG2 4.26Å; K759-V763 WeakPolarHBondContact O-CB 3.4Å; K759-V763 VanDerWaalsContact O-CG2 3.25Å; K759-V763 WeakPolarHBondContact O-CG2 3.3Å; K759-V763 PolarHBondContact O-N 2.8Å
760R82.2Confident78.9Confident150 Ų15057.7 Ų57.757%0.56629%0.289SS*.Hα-helixtrans-61.7-46.3178-175.4173.3-179.9172.5-2111.5A756 K757 L762 V763 E764 L788A756-R760 VanDerWaalsContact O-CB 3.29Å; A756-R760 WeakPolarHBondContact O-CB 3.5Å; A756-R760 PolarHBondContact O-N 2.91Å; K757-R760 PolarHBondContact O-N 2.66Å; R760-L762 VanDerWaalsContact C-N 3.34Å; R760-L762 PolarHBondContact O-N 3.45Å; R760-V763 PolarHBondContact O-N 3.09Å; R760-E764 HydrophobicContact CG-CG 4.42Å; R760-E764 WeakPolarHBondContact O-CB 3.39Å; R760-E764 VanDerWaalsContact O-CG 3.28Å; R760-E764 WeakPolarHBondContact O-CG 3.37Å; R760-E764 PolarHBondContact O-N 2.68Å; R760-L788 HydrophobicContact CG-CD1 4.5Å; R760-L788 HydrophobicContact CG-CD2 3.98Å
761L84.7Confident77.4Confident2 Ų260.1 Ų60.11%0.0130%0.304CS..Hα-helixtrans-59.1-44.3176.8-179.864.3000111.7K757 T758 K765 L788 V789 L792 L987 F992K757-L761 WeakPolarHBondContact O-CB 3.15Å; K757-L761 PolarHBondContact O-N 3.46Å; T758-L761 PolarHBondContact O-N 3.49Å; L761-K765 VanDerWaalsContact O-CB 3.29Å; L761-K765 WeakPolarHBondContact O-CB 3.23Å; L761-K765 PolarHBondContact O-N 3.14Å; L761-K765 VanDerWaalsContact O-N 3.11Å; L761-L788 HydrophobicContact CB-CB 4.41Å; L761-L788 HydrophobicContact CD1-CB 3.55Å; L761-L788 HydrophobicContact CD1-CD1 4.32Å; L761-V789 HydrophobicContact CD1-CG2 3.94Å; L761-V789 HydrophobicContact CD2-CG2 4.24Å; L761-L792 HydrophobicContact CD2-CD2 4Å; L761-L987 HydrophobicContact CB-CD2 4.37Å; L761-L987 HydrophobicContact CD2-CD1 4.25Å; L761-L987 HydrophobicContact CD2-CD2 3.9Å; L761-L987 HydrophobicContact CG-CD2 4.15Å; L761-F992 HydrophobicContact CD1-CE1 3.89Å; L761-F992 HydrophobicContact CD2-CE1 4.1Å; L761-F992 HydrophobicContact CD2-CZ 4.23Å; L761-F992 HydrophobicContact CG-CE1 3.86Å; L761-F992 HydrophobicContact CG-CZ 4.08Å
762L83.3Confident75.9Confident27 Ų2764.4 Ų64.414%0.14133%0.334CS..Hα-helixtrans-67.5-46.7179.3-175.561.5000112.6T758 K759 R760 K765 L766 L987 A989 A990T758-L762 WeakPolarHBondContact O-CB 3.15Å; T758-L762 PolarHBondContact O-N 2.86Å; K759-L762 PolarHBondContact O-N 2.93Å; R760-L762 VanDerWaalsContact C-N 3.34Å; R760-L762 PolarHBondContact O-N 3.45Å; L762-K765 PolarHBondContact O-N 3.34Å; L762-L766 HydrophobicContact CD1-CD1 3.86Å; L762-L766 HydrophobicContact CD1-CG 3.97Å; L762-L766 HydrophobicContact CD2-CD1 4.47Å; L762-L766 HydrophobicContact CG-CD1 3.84Å; L762-L766 HydrophobicContact CG-CG 4.3Å; L762-L766 WeakPolarHBondContact O-CB 3.49Å; L762-L766 WeakPolarHBondContact O-CG 3.4Å; L762-L766 PolarHBondContact O-N 2.94Å; L762-L987 HydrophobicContact CB-CD2 4.21Å; L762-A989 HydrophobicContact CD1-CB 4.3Å; L762-A990 HydrophobicContact CD1-CB 3.91Å
763V77.9Confident74Confident88 Ų8864.7 Ų64.753%0.53335%0.346SS..Hα-helixtrans-63.7-45-179170.10000111.2K759 R760 K765 G767K759-V763 HydrophobicContact CG-CG2 4.26Å; K759-V763 WeakPolarHBondContact O-CB 3.4Å; K759-V763 VanDerWaalsContact O-CG2 3.25Å; K759-V763 WeakPolarHBondContact O-CG2 3.3Å; K759-V763 PolarHBondContact O-N 2.8Å; R760-V763 PolarHBondContact O-N 3.09Å; V763-K765 VanDerWaalsContact C-N 3.3Å; V763-K765 PolarHBondContact O-N 2.9Å; V763-G767 PolarHBondContact O-N 2.96Å
764E75.9Confident71.8Confident70 Ų7065.3 Ų65.333%0.32737%0.366SS..Hα-helixtrans-59.8-42.8175.2-76.4-71165.600111.4R760 R768 L788R760-E764 HydrophobicContact CG-CG 4.42Å; R760-E764 WeakPolarHBondContact O-CB 3.39Å; R760-E764 VanDerWaalsContact O-CG 3.28Å; R760-E764 WeakPolarHBondContact O-CG 3.37Å; R760-E764 PolarHBondContact O-N 2.68Å; E764-R768 VanDerWaalsContact O-CG 3.31Å; E764-R768 WeakPolarHBondContact O-CG 3.45Å; E764-R768 PolarHBondContact O-N 2.84Å; E764-L788 HydrophobicContact CB-CD1 4.15Å; E764-L788 HydrophobicContact CG-CD1 3.95Å
765K75.3Confident69.2Low22 Ų2271.8 Ų71.810%0.09640%0.395CS..Hα-helixtrans-69.7-48.5-178.3-168.666.3-179.6-162.50112.6L761 L762 V763 G767 R768 E769 E785 A990 E991 F992L761-K765 VanDerWaalsContact O-CB 3.29Å; L761-K765 WeakPolarHBondContact O-CB 3.23Å; L761-K765 PolarHBondContact O-N 3.14Å; L761-K765 VanDerWaalsContact O-N 3.11Å; L762-K765 PolarHBondContact O-N 3.34Å; V763-K765 VanDerWaalsContact C-N 3.3Å; V763-K765 PolarHBondContact O-N 2.9Å; K765-G767 VanDerWaalsContact C-N 3.29Å; K765-G767 PolarHBondContact O-N 2.76Å; K765-R768 PolarHBondContact O-N 3.17Å; K765-E769 WeakPolarHBondContact O-CG 3.46Å; K765-E769 PolarHBondContact O-N 2.81Å; K765-E785 IonicContact NZ-OE1 3.78Å; K765-E785 PolarHBondContact NZ-OE1 2.89Å; K765-E785 IonicContact NZ-OE2 2.66Å; K765-E785 PolarHBondContact NZ-OE2 3.44Å; K765-A990 HydrophobicContact CB-CB 4.08Å; K765-A990 HydrophobicContact CG-CB 3.59Å; K765-E991 WeakPolarHBondContact CE-O 3.28Å; K765-E991 PolarHBondContact NZ-O 3.08Å; K765-F992 HydrophobicContact CB-CE1 4.35Å; K765-F992 HydrophobicContact CD-CE1 4.39Å; K765-F992 HydrophobicContact CG-CE1 4.11Å; K765-F992 HydrophobicContact CG-CZ 4.36Å
766L72.6Confident66.6Low73 Ų7372.9 Ų72.938%0.38241%0.413SS..Hα-helixtrans-63.7-36.4175.6-69.1177.3000111.6L762 E769 A770 A990L762-L766 HydrophobicContact CD1-CD1 3.86Å; L762-L766 HydrophobicContact CD1-CG 3.97Å; L762-L766 HydrophobicContact CD2-CD1 4.47Å; L762-L766 HydrophobicContact CG-CD1 3.84Å; L762-L766 HydrophobicContact CG-CG 4.3Å; L762-L766 WeakPolarHBondContact O-CB 3.49Å; L762-L766 WeakPolarHBondContact O-CG 3.4Å; L762-L766 PolarHBondContact O-N 2.94Å; L766-E769 PolarHBondContact O-N 2.82Å; L766-A770 VanDerWaalsContact O-CB 3.31Å; L766-A770 WeakPolarHBondContact O-CB 3.4Å; L766-A770 PolarHBondContact O-N 2.84Å; L766-A990 HydrophobicContact CD2-CB 4.31Å
767G64.8Low64Low37 Ų3780.1 Ų80.138%0.38143%0.433SS..Hα-helixtrans-60.6-43.5173.600000112.1V763 K765 A770 V771V763-G767 PolarHBondContact O-N 2.96Å; K765-G767 VanDerWaalsContact C-N 3.29Å; K765-G767 PolarHBondContact O-N 2.76Å; G767-A770 PolarHBondContact O-N 2.94Å; G767-V771 VanDerWaalsContact O-CG2 3.27Å; G767-V771 WeakPolarHBondContact O-CG2 3.43Å; G767-V771 PolarHBondContact O-N 2.98Å
768R64.4Low61.5Low66 Ų6684.7 Ų84.725%0.24946%0.46CS..Hα-helixtrans-67.2-41.9175.1-72.7174.4-170-160.3-2.9112.9E764 K765 A770 V771 S772 G781 E784 E785E764-R768 VanDerWaalsContact O-CG 3.31Å; E764-R768 WeakPolarHBondContact O-CG 3.45Å; E764-R768 PolarHBondContact O-N 2.84Å; K765-R768 PolarHBondContact O-N 3.17Å; R768-A770 VanDerWaalsContact C-N 3.32Å; R768-A770 PolarHBondContact O-N 2.9Å; R768-V771 WeakPolarHBondContact O-CB 3.37Å; R768-V771 PolarHBondContact O-N 3.02Å; R768-S772 PolarHBondContact O-N 3.21Å; R768-S772 PolarHBondContact O-OG 3.38Å; R768-G781 VanDerWaalsContact NH1-C 3.26Å; R768-G781 PolarHBondContact NH1-O 2.95Å; R768-G781 PolarHBondContact NH2-O 3.09Å; R768-E784 IonicContact NH2-OE2 2.7Å; R768-E784 PolarHBondContact NH2-OE2 3.36Å; R768-E784 VanDerWaalsContact NH2-OE2 3.13Å; R768-E785 IonicContact NH1-OE2 3.74Å
769E65Low58.9Low53 Ų5390.7 Ų90.725%0.24850%0.502CS..Hα-helixtrans-62.4-41176-72.2173.3-170.600110.6K765 L766 V771 S772 L773 E991K765-E769 WeakPolarHBondContact O-CG 3.46Å; K765-E769 PolarHBondContact O-N 2.81Å; L766-E769 PolarHBondContact O-N 2.82Å; E769-V771 PolarHBondContact O-N 3.09Å; E769-S772 WeakPolarHBondContact CA-OG 3.42Å; E769-S772 PolarHBondContact O-N 3.17Å; E769-S772 PolarHBondContact O-OG 3.22Å; E769-L773 WeakPolarHBondContact O-CG 3.4Å; E769-L773 PolarHBondContact O-N 3.07Å; E769-L773 VanDerWaalsContact O-N 3.15Å; E769-E991 PolarHBondContact OE1-N 3.06Å
770A55Low56.4Low49 Ų4991.7 Ų91.741%0.40551%0.513SS..Hα-helixtrans-64.1-38.5173.800000113.1L766 G767 R768 L773L766-A770 VanDerWaalsContact O-CB 3.31Å; L766-A770 WeakPolarHBondContact O-CB 3.4Å; L766-A770 PolarHBondContact O-N 2.84Å; G767-A770 PolarHBondContact O-N 2.94Å; R768-A770 VanDerWaalsContact C-N 3.32Å; R768-A770 PolarHBondContact O-N 2.9Å; A770-L773 PolarHBondContact O-N 2.82Å
771V53.1Low54.7Low67 Ų6785.5 Ų85.541%0.40650%0.495SS..Hα-helixtrans-63.3-44.7174162.60000111G767 R768 E769 L773 G774 H775G767-V771 VanDerWaalsContact O-CG2 3.27Å; G767-V771 WeakPolarHBondContact O-CG2 3.43Å; G767-V771 PolarHBondContact O-N 2.98Å; R768-V771 WeakPolarHBondContact O-CB 3.37Å; R768-V771 PolarHBondContact O-N 3.02Å; E769-V771 PolarHBondContact O-N 3.09Å; V771-L773 PolarHBondContact O-N 3.44Å; V771-G774 PolarHBondContact O-N 3.11Å; V771-H775 WeakPolarHBondContact CG1-O 3.26Å; V771-H775 PolarHBondContact O-N 2.87Å; V771-H775 VanDerWaalsContact O-N 3.08Å
772S51.1Low53.1Low97 Ų9788 Ų8868%0.67852%0.521SS*.Hα-helixtrans-63.6-26.217759.20000114R768 E769 G774R768-S772 PolarHBondContact O-N 3.21Å; R768-S772 PolarHBondContact O-OG 3.38Å; E769-S772 WeakPolarHBondContact CA-OG 3.42Å; E769-S772 PolarHBondContact O-N 3.17Å; E769-S772 PolarHBondContact O-OG 3.22Å; S772-G774 VanDerWaalsContact C-N 3.28Å; S772-G774 PolarHBondContact O-N 2.91Å
773L46.5Very low51.7Low151 Ų15192.1 Ų92.179%0.79155%0.548SS*.THydrogen-bonded Turntrans-82.37.9179-73.4168.6000114.6E769 A770 V771E769-L773 WeakPolarHBondContact O-CG 3.4Å; E769-L773 PolarHBondContact O-N 3.07Å; E769-L773 VanDerWaalsContact O-N 3.15Å; A770-L773 PolarHBondContact O-N 2.82Å; V771-L773 PolarHBondContact O-N 3.44Å
774G39Very low51.1Low63 Ų6392.8 Ų92.865%0.64955%0.545SS*.THydrogen-bonded Turntrans135.813.2168.100000117.1V771 S772V771-G774 PolarHBondContact O-N 3.11Å; S772-G774 VanDerWaalsContact C-N 3.28Å; S772-G774 PolarHBondContact O-N 2.91Å
775H33.8Very low50.9Low136 Ų13690.9 Ų90.963%0.6354%0.536SS*.SBendtrans-112.484.7177.7-66.4-66.1000111.4V771V771-H775 WeakPolarHBondContact CG1-O 3.26Å; V771-H775 PolarHBondContact O-N 2.87Å; V771-H775 VanDerWaalsContact O-N 3.08Å
776S31.7Very low51.1Low111 Ų11192.3 Ų92.378%0.77654%0.544SS*.  trans32.2107.6158.558.60000120.1
777K31.6Very low51.5Low211 Ų21193 Ų9392%0.91755%0.552SS**  trans17.6105.7148.8-68.7179.8178176.20119.3
778L33.1Very low52.5Low163 Ų16392.1 Ų92.185%0.85354%0.538SS*.  trans-150.8116.1141.7-95.1162.5000108.1
779S32.1Very low53.6Low126 Ų12689 Ų8988%0.88153%0.526SS*.  trans-109.633.7-169.8-172.20000114.1
780I32.1Very low54.8Low164 Ų16487.8 Ų87.884%0.84153%0.526SS*.  trans-122.393.5177.2-57.6170.4000107.5
781G45.3Very low56.3Low19 Ų1986.3 Ų86.320%0.19651%0.512CS..  trans-165-13.7-175.600000118.4R768 V783 E784R768-G781 VanDerWaalsContact NH1-C 3.26Å; R768-G781 PolarHBondContact NH1-O 2.95Å; R768-G781 PolarHBondContact NH2-O 3.09Å; G781-V783 PolarHBondContact O-N 2.95Å; G781-E784 PolarHBondContact O-N 3.48Å; G781-E784 VanDerWaalsContact O-N 3.08Å
782G51.6Low58.2Low55 Ų5583.1 Ų83.157%0.56749%0.493SS*.Hα-helixtrans-57-28.2-17800000114.7
783V54.6Low60.2Low114 Ų11478.6 Ų78.669%0.69146%0.462SS*.Hα-helixtrans-65.7-43177.1178.20000111.6G781 E785 N786 T787G781-V783 PolarHBondContact O-N 2.95Å; V783-E785 PolarHBondContact O-N 3.22Å; V783-N786 PolarHBondContact O-N 2.86Å; V783-T787 PolarHBondContact O-N 2.98Å; V783-T787 VanDerWaalsContact O-N 3.11Å; V783-T787 PolarHBondContact O-OG1 3.24Å
784E65.1Low62.3Low102 Ų10274.3 Ų74.348%0.47744%0.439SS..Hα-helixtrans-69-36.4-175-65.5178.4151.200113.3R768 G781 N786 T787 L788R768-E784 IonicContact NH2-OE2 2.7Å; R768-E784 PolarHBondContact NH2-OE2 3.36Å; R768-E784 VanDerWaalsContact NH2-OE2 3.13Å; G781-E784 PolarHBondContact O-N 3.48Å; G781-E784 VanDerWaalsContact O-N 3.08Å; E784-N786 VanDerWaalsContact C-N 3.34Å; E784-N786 PolarHBondContact O-N 3.48Å; E784-T787 PolarHBondContact O-N 2.94Å; E784-L788 VanDerWaalsContact O-CG 3.29Å; E784-L788 WeakPolarHBondContact O-CG 3.2Å; E784-L788 PolarHBondContact O-N 3.12Å
785E71.9Confident64.8Low30 Ų3071.3 Ų71.314%0.1441%0.409CS..Hα-helixtrans-63-44.2177.5-178.7176.7162.900110.4K765 R768 V783 T787 L788 V789K765-E785 IonicContact NZ-OE1 3.78Å; K765-E785 PolarHBondContact NZ-OE1 2.89Å; K765-E785 IonicContact NZ-OE2 2.66Å; K765-E785 PolarHBondContact NZ-OE2 3.44Å; R768-E785 IonicContact NH1-OE2 3.74Å; V783-E785 PolarHBondContact O-N 3.22Å; E785-T787 VanDerWaalsContact C-N 3.32Å; E785-T787 PolarHBondContact O-N 3.27Å; E785-L788 PolarHBondContact O-N 2.93Å; E785-V789 WeakPolarHBondContact O-CG2 3.36Å; E785-V789 PolarHBondContact O-N 2.9Å
786N79.1Confident67.6Low51 Ų5164.9 Ų64.927%0.27338%0.379SS..Hα-helixtrans-64.2-37176.9-95.9-28.5000112.6V783 E784 A790 R922 T998V783-N786 PolarHBondContact O-N 2.86Å; E784-N786 VanDerWaalsContact C-N 3.34Å; E784-N786 PolarHBondContact O-N 3.48Å; N786-A790 WeakPolarHBondContact O-CB 2.88Å; N786-A790 PolarHBondContact O-N 2.82Å; N786-R922 PolarHBondContact O-NH2 3.32Å; N786-R922 PolarHBondContact OD1-NH1 3.4Å; N786-T998 PolarHBondContact OD1-OG1 3.34Å
787T81.6Confident70.4Confident89 Ų8961 Ų6155%0.54635%0.348SS..Hα-helixtrans-65-41.5173-54.30000111.7V783 E784 E785 A790 S791V783-T787 PolarHBondContact O-N 2.98Å; V783-T787 VanDerWaalsContact O-N 3.11Å; V783-T787 PolarHBondContact O-OG1 3.24Å; E784-T787 PolarHBondContact O-N 2.94Å; E785-T787 VanDerWaalsContact C-N 3.32Å; E785-T787 PolarHBondContact O-N 3.27Å; T787-A790 PolarHBondContact O-N 2.95Å; T787-S791 PolarHBondContact O-N 2.88Å
788L84.5Confident73.1Confident17 Ų1755.4 Ų55.49%0.08932%0.321CS..Hα-helixtrans-67.6-42.8177.9-70.1170.7000111.7R760 L761 E764 E784 E785 S791 L792R760-L788 HydrophobicContact CG-CD1 4.5Å; R760-L788 HydrophobicContact CG-CD2 3.98Å; L761-L788 HydrophobicContact CB-CB 4.41Å; L761-L788 HydrophobicContact CD1-CB 3.55Å; L761-L788 HydrophobicContact CD1-CD1 4.32Å; E764-L788 HydrophobicContact CB-CD1 4.15Å; E764-L788 HydrophobicContact CG-CD1 3.95Å; E784-L788 VanDerWaalsContact O-CG 3.29Å; E784-L788 WeakPolarHBondContact O-CG 3.2Å; E784-L788 PolarHBondContact O-N 3.12Å; E785-L788 PolarHBondContact O-N 2.93Å; L788-S791 PolarHBondContact O-N 2.97Å; L788-S791 PolarHBondContact O-OG 3.03Å; L788-L792 PolarHBondContact O-N 2.79Å
789V88.7Confident75.7Confident0 Ų047.6 Ų47.60%028%0.281CS..Hα-helixtrans-63.8-40.5174175.40000111.2L761 E785 S791 L792 C793 R922 L925 C994L761-V789 HydrophobicContact CD1-CG2 3.94Å; L761-V789 HydrophobicContact CD2-CG2 4.24Å; E785-V789 WeakPolarHBondContact O-CG2 3.36Å; E785-V789 PolarHBondContact O-N 2.9Å; V789-S791 VanDerWaalsContact C-N 3.31Å; V789-S791 PolarHBondContact O-N 3.22Å; V789-L792 WeakPolarHBondContact O-CB 3.19Å; V789-L792 PolarHBondContact O-N 2.96Å; V789-C793 PolarHBondContact O-N 2.88Å; V789-C793 PolarHBondContact O-SG 3.29Å; V789-C793 VanDerWaalsContact O-SG 3.33Å; V789-R922 HydrophobicContact CG1-CG 3.91Å; V789-L925 HydrophobicContact CG1-CD2 4.38Å; V789-L925 HydrophobicContact CG2-CD2 4.35Å; V789-C994 HydrophobicContact CG1-CB 4.06Å; V789-C994 HydrophobicContact CG2-CB 4.11Å
790A88.4Confident78.3Confident28 Ų2841.6 Ų41.623%0.23124%0.239CC..Hα-helixtrans-59.4-43.5173.500000111.4N786 T787 L792 C793 D794N786-A790 WeakPolarHBondContact O-CB 2.88Å; N786-A790 PolarHBondContact O-N 2.82Å; T787-A790 PolarHBondContact O-N 2.95Å; A790-L792 VanDerWaalsContact C-N 3.31Å; A790-L792 PolarHBondContact O-N 2.65Å; A790-C793 WeakPolarHBondContact O-CB 3.17Å; A790-C793 PolarHBondContact O-N 3.15Å; A790-C793 VanDerWaalsContact O-N 3.15Å; A790-D794 PolarHBondContact O-N 2.64Å; A790-D794 VanDerWaalsContact O-N 3.08Å
791S87.5Confident80.7Confident18 Ų1836.7 Ų36.713%0.12622%0.219CC..Hα-helixtrans-65.1-33176.5790000113.3T787 L788 V789 D794 V795T787-S791 PolarHBondContact O-N 2.88Å; L788-S791 PolarHBondContact O-N 2.97Å; L788-S791 PolarHBondContact O-OG 3.03Å; V789-S791 VanDerWaalsContact C-N 3.31Å; V789-S791 PolarHBondContact O-N 3.22Å; S791-D794 PolarHBondContact O-N 3.13Å; S791-V795 WeakPolarHBondContact O-CG2 3.45Å; S791-V795 PolarHBondContact O-N 3.23Å; S791-V795 VanDerWaalsContact O-N 3.1Å
792L92.1Very high82.4Confident1 Ų137.3 Ų37.31%0.00522%0.216CC..Hα-helixtrans-63.8-44.8172.1175.464.8000110.5L761 L788 V789 A790 D794 V795 I796 L925 L930 L987L761-L792 HydrophobicContact CD2-CD2 4Å; L788-L792 PolarHBondContact O-N 2.79Å; V789-L792 WeakPolarHBondContact O-CB 3.19Å; V789-L792 PolarHBondContact O-N 2.96Å; A790-L792 VanDerWaalsContact C-N 3.31Å; A790-L792 PolarHBondContact O-N 2.65Å; L792-D794 VanDerWaalsContact C-N 3.28Å; L792-D794 PolarHBondContact O-N 3.37Å; L792-V795 PolarHBondContact O-N 3.42Å; L792-I796 HydrophobicContact CD1-CD1 4.14Å; L792-I796 HydrophobicContact CD1-CG1 4.3Å; L792-I796 HydrophobicContact CG-CD1 4.02Å; L792-I796 WeakPolarHBondContact O-CG1 3.34Å; L792-I796 PolarHBondContact O-N 3.28Å; L792-L925 HydrophobicContact CD2-CD2 4.3Å; L792-L930 HydrophobicContact CD2-CD2 4.47Å; L792-L987 HydrophobicContact CD2-CD1 3.66Å
793C93.5Very high83Confident2 Ų235.3 Ų35.31%0.01420%0.196CC..Hα-helixtrans-57.8-42175.7-61.40000111.8V789 A790 V795 I796 E797 R918 I921V789-C793 PolarHBondContact O-N 2.88Å; V789-C793 PolarHBondContact O-SG 3.29Å; V789-C793 VanDerWaalsContact O-SG 3.33Å; A790-C793 WeakPolarHBondContact O-CB 3.17Å; A790-C793 PolarHBondContact O-N 3.15Å; A790-C793 VanDerWaalsContact O-N 3.15Å; C793-V795 VanDerWaalsContact C-N 3.32Å; C793-V795 PolarHBondContact O-N 2.86Å; C793-I796 PolarHBondContact O-N 2.8Å; C793-E797 WeakPolarHBondContact O-CB 3.33Å; C793-E797 PolarHBondContact O-N 3.3Å; C793-R918 HydrophobicContact CB-CG 3.77Å; C793-I921 HydrophobicContact CB-CD1 4.03Å
794D92Very high83.7Confident61 Ų6131.2 Ų31.233%0.32617%0.173SC..Hα-helixtrans-68.5-29.5179.6-62.4-25.1000113.2A790 S791 L792 R798 R918A790-D794 PolarHBondContact O-N 2.64Å; A790-D794 VanDerWaalsContact O-N 3.08Å; S791-D794 PolarHBondContact O-N 3.13Å; L792-D794 VanDerWaalsContact C-N 3.28Å; L792-D794 PolarHBondContact O-N 3.37Å; D794-R798 WeakPolarHBondContact O-CB 3.35Å; D794-R798 WeakPolarHBondContact O-CG 3.49Å; D794-R798 PolarHBondContact O-N 3.36Å; D794-R798 PolarHBondContact O-NE 2.88Å; D794-R798 VanDerWaalsContact O-NE 3.11Å; D794-R918 IonicContact OD1-CZ 3.57Å; D794-R918 IonicContact OD1-NE 2.76Å; D794-R918 IonicContact OD1-NH2 2.99Å; D794-R918 PolarHBondContact OD1-NH2 3.36Å; D794-R918 IonicContact OD2-NH2 3.33Å
795V90.2Very high83.5Confident0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-70.8-47172.4171.80000110.7E753 A754 K757 S791 L792 C793 E797 R798 I799E753-V795 HydrophobicContact CG-CG2 4.05Å; A754-V795 HydrophobicContact CB-CG1 3.66Å; K757-V795 HydrophobicContact CG-CG2 3.98Å; S791-V795 WeakPolarHBondContact O-CG2 3.45Å; S791-V795 PolarHBondContact O-N 3.23Å; S791-V795 VanDerWaalsContact O-N 3.1Å; L792-V795 PolarHBondContact O-N 3.42Å; C793-V795 VanDerWaalsContact C-N 3.32Å; C793-V795 PolarHBondContact O-N 2.86Å; V795-E797 VanDerWaalsContact C-N 3.32Å; V795-E797 PolarHBondContact O-N 3.21Å; V795-R798 PolarHBondContact O-N 3.06Å; V795-I799 HydrophobicContact CG1-CD1 3.85Å; V795-I799 HydrophobicContact CG1-CG1 4.45Å; V795-I799 WeakPolarHBondContact O-CG1 3.33Å; V795-I799 PolarHBondContact O-N 2.91Å
796I92.1Very high83Confident0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-61.1-44.4179-62.8173.1000110.1L792 C793 R798 I799 W800 L813 I921 L930 L934 F980L792-I796 HydrophobicContact CD1-CD1 4.14Å; L792-I796 HydrophobicContact CD1-CG1 4.3Å; L792-I796 HydrophobicContact CG-CD1 4.02Å; L792-I796 WeakPolarHBondContact O-CG1 3.34Å; L792-I796 PolarHBondContact O-N 3.28Å; C793-I796 PolarHBondContact O-N 2.8Å; I796-R798 VanDerWaalsContact C-N 3.31Å; I796-R798 PolarHBondContact O-N 2.79Å; I796-I799 PolarHBondContact O-N 3.43Å; I796-W800 HydrophobicContact CG2-CE3 3.79Å; I796-W800 HydrophobicContact CG2-CZ3 3.95Å; I796-W800 PolarHBondContact O-N 3.25Å; I796-L813 HydrophobicContact CG2-CD2 3.9Å; I796-I921 HydrophobicContact CB-CD1 4.15Å; I796-I921 HydrophobicContact CD1-CD1 4.13Å; I796-I921 HydrophobicContact CD1-CG1 4.38Å; I796-I921 HydrophobicContact CD1-CG2 3.96Å; I796-I921 HydrophobicContact CG2-CD1 4.13Å; I796-L930 HydrophobicContact CD1-CD2 4.19Å; I796-L934 HydrophobicContact CD1-CD1 4.37Å; I796-L934 HydrophobicContact CG2-CD2 4.42Å; I796-F980 HydrophobicContact CG1-CE2 4.47Å; I796-F980 HydrophobicContact CG1-CZ 4.12Å
797E92.1Very high82.1Confident30 Ų3038.8 Ų38.814%0.1420%0.195CC..Hα-helixtrans-59.5-43.1177.2-165.763.4-148.800111.7C793 V795 W800 S801 S811 A812 L813C793-E797 WeakPolarHBondContact O-CB 3.33Å; C793-E797 PolarHBondContact O-N 3.3Å; V795-E797 VanDerWaalsContact C-N 3.32Å; V795-E797 PolarHBondContact O-N 3.21Å; E797-W800 PolarHBondContact O-N 3.27Å; E797-S801 WeakPolarHBondContact O-CB 3.42Å; E797-S801 PolarHBondContact O-N 3Å; E797-S801 PolarHBondContact O-OG 3.38Å; E797-S811 WeakPolarHBondContact OE1-CA 3.45Å; E797-S811 VanDerWaalsContact OE1-CB 3.24Å; E797-S811 WeakPolarHBondContact OE1-CB 3.33Å; E797-S811 PolarHBondContact OE1-OG 2.91Å; E797-S811 PolarHBondContact OE2-OG 2.95Å; E797-A812 PolarHBondContact OE1-N 3.33Å; E797-L813 PolarHBondContact OE1-N 3.39Å; E797-L813 WeakPolarHBondContact OE2-CB 3.43Å
798R87.9Confident81.3Confident93 Ų9341.8 Ų41.835%0.35120%0.197SC..Hα-helixtrans-66-40177.6-81.4-177.2-68.3152.9-3.3112.9L750 E753 D794 V795 I796 S801 H802L750-R798 HydrophobicContact CD2-CB 4.3Å; E753-R798 IonicContact OE1-CZ 2.65Å; E753-R798 IonicContact OE1-NH1 3.77Å; E753-R798 PolarHBondContact OE1-NH1 2.65Å; E753-R798 IonicContact OE1-NH2 3Å; E753-R798 PolarHBondContact OE1-NH2 2.82Å; E753-R798 IonicContact OE2-CZ 3.63Å; E753-R798 IonicContact OE2-NH1 3.71Å; E753-R798 PolarHBondContact OE2-NH1 2.82Å; E753-R798 IonicContact OE2-NH2 2.91Å; E753-R798 PolarHBondContact OE2-NH2 3.4Å; D794-R798 WeakPolarHBondContact O-CB 3.35Å; D794-R798 WeakPolarHBondContact O-CG 3.49Å; D794-R798 PolarHBondContact O-N 3.36Å; D794-R798 PolarHBondContact O-NE 2.88Å; D794-R798 VanDerWaalsContact O-NE 3.11Å; V795-R798 PolarHBondContact O-N 3.06Å; I796-R798 VanDerWaalsContact C-N 3.31Å; I796-R798 PolarHBondContact O-N 2.79Å; R798-S801 WeakPolarHBondContact CA-OG 3.47Å; R798-S801 PolarHBondContact O-N 3.29Å; R798-S801 PolarHBondContact O-OG 3.04Å; R798-H802 WeakPolarHBondContact O-CB 3.4Å; R798-H802 PolarHBondContact O-N 3.28Å
799I86.8Confident80.4Confident0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-59.8-47.7174.9-71.9168.7000110.3A754 V795 I796 S801 H802 F970 L971 F980A754-I799 HydrophobicContact CB-CD1 4.28Å; V795-I799 HydrophobicContact CG1-CD1 3.85Å; V795-I799 HydrophobicContact CG1-CG1 4.45Å; V795-I799 WeakPolarHBondContact O-CG1 3.33Å; V795-I799 PolarHBondContact O-N 2.91Å; I796-I799 PolarHBondContact O-N 3.43Å; I799-S801 VanDerWaalsContact C-N 3.28Å; I799-S801 PolarHBondContact O-N 3.43Å; I799-H802 PolarHBondContact O-N 3.09Å; I799-F970 HydrophobicContact CD1-CE1 4.47Å; I799-F970 HydrophobicContact CD1-CZ 4.25Å; I799-F970 HydrophobicContact CG1-CD2 4.49Å; I799-F970 HydrophobicContact CG1-CE2 4.41Å; I799-F970 HydrophobicContact CG1-CZ 4.48Å; I799-F970 HydrophobicContact CG2-CB 4.45Å; I799-F970 HydrophobicContact CG2-CD1 3.46Å; I799-F970 VanDerWaalsContact CG2-CD1 3.46Å; I799-F970 HydrophobicContact CG2-CE1 3.77Å; I799-F970 HydrophobicContact CG2-CG 3.94Å; I799-F970 HydrophobicContact CG2-CZ 4.48Å; I799-L971 HydrophobicContact CG2-CD2 3.71Å; I799-F980 HydrophobicContact CD1-CD2 3.56Å; I799-F980 HydrophobicContact CD1-CE1 4.42Å; I799-F980 HydrophobicContact CD1-CE2 3.42Å; I799-F980 VanDerWaalsContact CD1-CE2 3.42Å; I799-F980 HydrophobicContact CD1-CG 4.12Å; I799-F980 HydrophobicContact CD1-CZ 3.89Å
800W87.8Confident79.9Confident0 Ų051.2 Ų51.20%025%0.251CS..Hα-helixtrans-69.7-22.2177.1-99.2-100.7000113.6I796 E797 A812 L813 Y816 L934 L938 Y965 F980I796-W800 HydrophobicContact CG2-CE3 3.79Å; I796-W800 HydrophobicContact CG2-CZ3 3.95Å; I796-W800 PolarHBondContact O-N 3.25Å; E797-W800 PolarHBondContact O-N 3.27Å; W800-A812 HydrophobicContact CB-CB 4.3Å; W800-A812 WeakPolarHBondContact O-CB 3.41Å; W800-L813 HydrophobicContact CB-CB 4.12Å; W800-L813 HydrophobicContact CD2-CD1 3.66Å; W800-L813 HydrophobicContact CE3-CD1 4.34Å; W800-L813 HydrophobicContact CG-CB 4.16Å; W800-L813 HydrophobicContact CG-CD1 3.72Å; W800-L813 HydrophobicContact CZ2-CD1 4.33Å; W800-Y816 AromaticContact NE1-CG 3.99Å; W800-L934 HydrophobicContact CH2-CB 4.05Å; W800-L934 HydrophobicContact CH2-CD1 4.35Å; W800-L934 HydrophobicContact CH2-CD2 3.6Å; W800-L934 HydrophobicContact CH2-CG 4.18Å; W800-L934 HydrophobicContact CZ2-CD2 3.97Å; W800-L934 HydrophobicContact CZ3-CD1 4.5Å; W800-L934 HydrophobicContact CZ3-CD2 4.09Å; W800-L938 HydrophobicContact CH2-CD1 4.1Å; W800-L938 HydrophobicContact CH2-CD2 4.23Å; W800-L938 HydrophobicContact CH2-CG 4.16Å; W800-L938 HydrophobicContact CZ2-CD1 4.47Å; W800-L938 HydrophobicContact CZ2-CD2 3.97Å; W800-L938 HydrophobicContact CZ2-CG 4.02Å; W800-Y965 WeakPolarHBondContact O-CE1 3.37Å; W800-Y965 PolarHBondContact O-OH 2.84Å; W800-F980 HydrophobicContact CH2-CE1 4.23Å; W800-F980 AromaticContact CZ3-CE1 3.81Å; W800-F980 HydrophobicContact CZ3-CE1 3.81Å; W800-F980 HydrophobicContact CZ3-CZ 4.18Å
801S82.8Confident79.7Confident60 Ų6049.9 Ų49.942%0.4224%0.24SC..Hα-helixtrans-82.5-21.617475.10000113.6E797 R798 I799 G803 S804E797-S801 WeakPolarHBondContact O-CB 3.42Å; E797-S801 PolarHBondContact O-N 3Å; E797-S801 PolarHBondContact O-OG 3.38Å; R798-S801 WeakPolarHBondContact CA-OG 3.47Å; R798-S801 PolarHBondContact O-N 3.29Å; R798-S801 PolarHBondContact O-OG 3.04Å; I799-S801 VanDerWaalsContact C-N 3.28Å; I799-S801 PolarHBondContact O-N 3.43Å; S801-G803 PolarHBondContact O-N 3.47Å; S801-S804 PolarHBondContact O-N 3.44Å
802H79.8Confident79.6Confident32 Ų3250.2 Ų50.215%0.14824%0.244CC..THydrogen-bonded Turntrans-73.9116.6-171.8178.7-82.3000111.4I746 L750 R798 I799 S804 A969 F970I746-H802 WeakPolarHBondContact CG2-NE2 3.24Å; L750-H802 HydrophobicContact CD1-CB 3.97Å; R798-H802 WeakPolarHBondContact O-CB 3.4Å; R798-H802 PolarHBondContact O-N 3.28Å; I799-H802 PolarHBondContact O-N 3.09Å; H802-S804 VanDerWaalsContact C-N 3.3Å; H802-A969 VanDerWaalsContact O-CB 3.32Å; H802-A969 WeakPolarHBondContact O-CB 3.25Å; H802-F970 HydrophobicContact CB-CB 4.47Å; H802-F970 PolarHBondContact ND1-N 3.38Å; H802-F970 VanDerWaalsContact ND1-N 3.1Å
803G65.3Low79.5Confident14 Ų1450.1 Ų50.114%0.14424%0.243CC..THydrogen-bonded Turntrans7319.6-179.700000113.7S801 Y965 D966S801-G803 PolarHBondContact O-N 3.47Å; G803-Y965 CarbonylContact O-C 3.55Å; G803-Y965 WeakPolarHBondContact O-CA 3.44Å; G803-D966 PolarHBondContact O-N 3.47Å
804S69.2Low79.4Confident28 Ų2850.6 Ų50.620%0.19625%0.245CC..BIsolated β-bridgetrans-73.8124.4171.4-172.50000110S801 H802 R806S801-S804 PolarHBondContact O-N 3.44Å; H802-S804 VanDerWaalsContact C-N 3.3Å; S804-R806 VanDerWaalsContact C-N 3.32Å; S804-R806 PolarHBondContact O-N 2.93Å; S804-R806 PolarHBondContact OG-O 3.01Å
805R60.6Low79.1Confident55 Ų5548.8 Ų48.821%0.20824%0.238CC..SBendtrans-68.6-28.5-178.5-72.1-179.4171.4-178.4-2.2113.2M964 D966R805-M964 PolarHBondContact N-O 3.12Å; R805-D966 WeakPolarHBondContact CG-OD1 3.19Å; R805-D966 IonicContact CZ-OD1 3.59Å; R805-D966 IonicContact NE-OD1 3.98Å; R805-D966 PolarHBondContact NE-OD1 2.75Å; R805-D966 IonicContact NH2-OD1 2.63Å
806R61.4Low78.8Confident154 Ų15449.4 Ų49.458%0.58124%0.241SC*.SBendtrans-134.4114.5-177.1-67.1-176.2-179.4178.40.7110.6S804 R808S804-R806 VanDerWaalsContact C-N 3.32Å; S804-R806 PolarHBondContact O-N 2.93Å; S804-R806 PolarHBondContact OG-O 3.01Å; R806-R808 PolarHBondContact O-N 3.25Å
807K60.1Low78.6Confident133 Ų13349.4 Ų49.458%0.57824%0.241SC*.  trans-7885.3173.1-69.9-176.4179.2178.50110.2E375 G809E375-K807 WeakPolarHBondContact OE2-CB 3.44Å; K807-G809 PolarHBondContact O-N 2.67Å
808R63.7Low78.3Confident151 Ų15150.7 Ų50.757%0.5725%0.248SC*.  trans-81.8107.6170.4-78.5-178.2172.6168.6-3.2110R806 A815 E819R806-R808 PolarHBondContact O-N 3.25Å; R808-A815 HydrophobicContact CB-CB 4.11Å; R808-A815 VanDerWaalsContact O-CB 3.26Å; R808-A815 WeakPolarHBondContact O-CB 3.46Å; R808-E819 IonicContact NH1-OE2 2.79Å
809G65.5Low78Confident50 Ų5048 Ų4852%0.51524%0.239SC..SBendtrans79.9-170.7176.100000113.8K807 E913K807-G809 PolarHBondContact O-N 2.67Å; G809-E913 WeakPolarHBondContact CA-OE2 3.4Å
810K79.3Confident77.8Confident166 Ų16649.5 Ų49.572%0.72225%0.245SC*.SBendtrans-87-12.6-177.2-62.4-176179.6-177.60113.2E913 I914K810-E913 PolarHBondContact N-OE2 3.09Å; K810-I914 HydrophobicContact CB-CD1 4.16Å; K810-I914 HydrophobicContact CB-CG1 4.24Å; K810-I914 WeakPolarHBondContact O-CD1 3.12Å; K810-I914 VanDerWaalsContact O-CG1 3.28Å; K810-I914 WeakPolarHBondContact O-CG1 3.22Å
811S85Confident77.5Confident0 Ų051 Ų510%025%0.254CS..  trans-132.2118177.5170.70000111.5E797 W814 A815 A917E797-S811 WeakPolarHBondContact OE1-CA 3.45Å; E797-S811 VanDerWaalsContact OE1-CB 3.24Å; E797-S811 WeakPolarHBondContact OE1-CB 3.33Å; E797-S811 PolarHBondContact OE1-OG 2.91Å; E797-S811 PolarHBondContact OE2-OG 2.95Å; S811-W814 PolarHBondContact O-N 3.41Å; S811-W814 WeakPolarHBondContact OG-CB 2.98Å; S811-W814 PolarHBondContact OG-N 3.28Å; S811-W814 VanDerWaalsContact OG-N 3.11Å; S811-A815 WeakPolarHBondContact O-CB 3.48Å; S811-A815 PolarHBondContact O-N 3.29Å; S811-A917 WeakPolarHBondContact OG-CB 3.41Å
812A85.4Confident77.3Confident24 Ų2453.3 Ų53.320%0.19826%0.258CS..Hα-helixtrans-65.3-41.3177.700000111.2E797 W800 Y816E797-A812 PolarHBondContact OE1-N 3.33Å; W800-A812 HydrophobicContact CB-CB 4.3Å; W800-A812 WeakPolarHBondContact O-CB 3.41Å; A812-Y816 WeakPolarHBondContact O-CB 3.47Å; A812-Y816 PolarHBondContact O-N 3Å; A812-Y816 VanDerWaalsContact O-N 3.09Å
813L89.2Confident77Confident0 Ų055.9 Ų55.90%027%0.268CS..Hα-helixtrans-64.5-43.2176.9179.267.6000111.3I796 E797 W800 Y816 L817 A917 I921 L934 L937I796-L813 HydrophobicContact CG2-CD2 3.9Å; E797-L813 PolarHBondContact OE1-N 3.39Å; E797-L813 WeakPolarHBondContact OE2-CB 3.43Å; W800-L813 HydrophobicContact CB-CB 4.12Å; W800-L813 HydrophobicContact CD2-CD1 3.66Å; W800-L813 HydrophobicContact CE3-CD1 4.34Å; W800-L813 HydrophobicContact CG-CB 4.16Å; W800-L813 HydrophobicContact CG-CD1 3.72Å; W800-L813 HydrophobicContact CZ2-CD1 4.33Å; L813-Y816 PolarHBondContact O-N 3Å; L813-L817 HydrophobicContact CG-CD1 4.13Å; L813-L817 WeakPolarHBondContact O-CG 3.31Å; L813-L817 PolarHBondContact O-N 3.01Å; L813-A917 HydrophobicContact CD2-CB 4.33Å; L813-I921 HydrophobicContact CD2-CD1 3.66Å; L813-I921 HydrophobicContact CD2-CG1 3.88Å; L813-L934 HydrophobicContact CD1-CD2 4.48Å; L813-L937 HydrophobicContact CD1-CD1 4.41Å
814W91.5Very high77.4Confident12 Ų1261 Ų615%0.04528%0.283CS..Hα-helixtrans-65.5-44.1-179.2-167.3-112.6000112S811 Y816 L817 L818 L901 V904 M905 E913 Y916 A917 F920S811-W814 PolarHBondContact O-N 3.41Å; S811-W814 WeakPolarHBondContact OG-CB 2.98Å; S811-W814 PolarHBondContact OG-N 3.28Å; S811-W814 VanDerWaalsContact OG-N 3.11Å; W814-Y816 VanDerWaalsContact C-N 3.27Å; W814-Y816 PolarHBondContact O-N 2.73Å; W814-L817 HydrophobicContact CE3-CD1 3.84Å; W814-L817 HydrophobicContact CZ3-CD1 4.15Å; W814-L817 WeakPolarHBondContact O-CB 3.28Å; W814-L817 PolarHBondContact O-N 3.26Å; W814-L818 HydrophobicContact CZ2-CD2 4.47Å; W814-L818 WeakPolarHBondContact O-CG 3.21Å; W814-L818 PolarHBondContact O-N 2.85Å; W814-L901 HydrophobicContact CE3-CD1 4.44Å; W814-L901 HydrophobicContact CH2-CD1 3.38Å; W814-L901 HydrophobicContact CZ2-CD1 4.23Å; W814-L901 HydrophobicContact CZ3-CD1 3.51Å; W814-V904 HydrophobicContact CH2-CG1 3.8Å; W814-V904 HydrophobicContact CZ3-CG1 4.06Å; W814-M905 HydrophobicContact CH2-CE 4.46Å; W814-M905 HydrophobicContact CH2-CG 4.22Å; W814-M905 HydrophobicContact CZ2-CE 4.03Å; W814-M905 HydrophobicContact CZ2-CG 4.13Å; W814-E913 HydrophobicContact CB-CB 4.41Å; W814-E913 HydrophobicContact CG-CB 4.32Å; W814-Y916 HydrophobicContact CH2-CD1 4.43Å; W814-Y916 HydrophobicContact CH2-CG 4.26Å; W814-Y916 HydrophobicContact CZ2-CD1 4.3Å; W814-Y916 HydrophobicContact CZ2-CD2 4.45Å; W814-Y916 AromaticContact CZ2-CG 3.89Å; W814-Y916 HydrophobicContact CZ2-CG 3.89Å; W814-A917 HydrophobicContact CB-CB 4.23Å; W814-F920 HydrophobicContact CZ3-CB 4.18Å
815A84.8Confident77.5Confident23 Ų2364.1 Ų64.119%0.1930%0.298CS..Hα-helixtrans-57.8-42.6174.800000111.6R808 S811 L818 E819R808-A815 HydrophobicContact CB-CB 4.11Å; R808-A815 VanDerWaalsContact O-CB 3.26Å; R808-A815 WeakPolarHBondContact O-CB 3.46Å; S811-A815 WeakPolarHBondContact O-CB 3.48Å; S811-A815 PolarHBondContact O-N 3.29Å; A815-L818 PolarHBondContact O-N 2.84Å; A815-E819 PolarHBondContact O-N 3.38Å
816Y83.9Confident77.9Confident13 Ų1367.9 Ų67.95%0.05132%0.316CS..Hα-helixtrans-64.4-41.8176.9-161.1-77.4000112.3W800 A812 L813 W814 L818 E819 Y820 L937 M964 Y965W800-Y816 AromaticContact NE1-CG 3.99Å; A812-Y816 WeakPolarHBondContact O-CB 3.47Å; A812-Y816 PolarHBondContact O-N 3Å; A812-Y816 VanDerWaalsContact O-N 3.09Å; L813-Y816 PolarHBondContact O-N 3Å; W814-Y816 VanDerWaalsContact C-N 3.27Å; W814-Y816 PolarHBondContact O-N 2.73Å; Y816-L818 PolarHBondContact O-N 3.41Å; Y816-E819 PolarHBondContact O-N 3.17Å; Y816-Y820 WeakPolarHBondContact O-CB 3.47Å; Y816-Y820 PolarHBondContact O-N 3.48Å; Y816-L937 HydrophobicContact CD1-CB 4.34Å; Y816-L937 HydrophobicContact CD1-CD2 4.04Å; Y816-L937 HydrophobicContact CE1-CB 3.98Å; Y816-L937 HydrophobicContact CE1-CD2 4.13Å; Y816-L937 PolarHBondContact OH-O 3.43Å; Y816-M964 HydrophobicContact CD2-CE 3.25Å; Y816-M964 HydrophobicContact CD2-SD 4.09Å; Y816-M964 HydrophobicContact CE2-CE 3.27Å; Y816-M964 HydrophobicContact CE2-SD 4.46Å; Y816-M964 HydrophobicContact CG-CE 4.11Å; Y816-Y965 AromaticContact CD2-CE2 3.86Å; Y816-Y965 HydrophobicContact CD2-CE2 3.86Å; Y816-Y965 AromaticContact CE2-CE2 3.74Å; Y816-Y965 HydrophobicContact CE2-CE2 3.74Å
817L88Confident77.8Confident0 Ų067.1 Ų67.10%032%0.317CS..Hα-helixtrans-60.9-42.6175.7-79.8165.5000112.4L813 W814 N821 I897 L901 F920 L937L813-L817 HydrophobicContact CG-CD1 4.13Å; L813-L817 WeakPolarHBondContact O-CG 3.31Å; L813-L817 PolarHBondContact O-N 3.01Å; W814-L817 HydrophobicContact CE3-CD1 3.84Å; W814-L817 HydrophobicContact CZ3-CD1 4.15Å; W814-L817 WeakPolarHBondContact O-CB 3.28Å; W814-L817 PolarHBondContact O-N 3.26Å; L817-N821 WeakPolarHBondContact O-CB 3.33Å; L817-N821 PolarHBondContact O-N 2.77Å; L817-I897 HydrophobicContact CD2-CG2 3.95Å; L817-L901 HydrophobicContact CB-CD1 4.27Å; L817-F920 HydrophobicContact CD1-CB 4.41Å; L817-F920 HydrophobicContact CD1-CD1 3.63Å; L817-F920 HydrophobicContact CD1-CD2 4.38Å; L817-F920 HydrophobicContact CD1-CE1 3.94Å; L817-F920 HydrophobicContact CD1-CG 3.88Å; L817-F920 HydrophobicContact CD1-CZ 4.44Å; L817-F920 HydrophobicContact CD2-CD1 4.27Å; L817-F920 HydrophobicContact CD2-CE1 3.72Å; L817-F920 HydrophobicContact CD2-CE2 4.15Å; L817-F920 HydrophobicContact CD2-CZ 3.66Å; L817-F920 HydrophobicContact CG-CE1 4.49Å; L817-L937 HydrophobicContact CD2-CD1 3.76Å; L817-L937 HydrophobicContact CD2-CD2 4.05Å; L817-L937 HydrophobicContact CD2-CG 4.48Å; L817-L937 HydrophobicContact CG-CD1 4.34Å
818L86.8Confident77.5Confident57 Ų5764.6 Ų64.630%0.29832%0.321SS..Hα-helixtrans-63.1-46.5176.5-68.5177.3000111.1W814 A815 Y816 N821 E822 M905W814-L818 HydrophobicContact CZ2-CD2 4.47Å; W814-L818 WeakPolarHBondContact O-CG 3.21Å; W814-L818 PolarHBondContact O-N 2.85Å; A815-L818 PolarHBondContact O-N 2.84Å; Y816-L818 PolarHBondContact O-N 3.41Å; L818-N821 WeakPolarHBondContact O-CB 3.48Å; L818-N821 PolarHBondContact O-N 2.79Å; L818-E822 WeakPolarHBondContact O-CG 3.39Å; L818-E822 PolarHBondContact O-N 2.93Å; L818-M905 HydrophobicContact CD2-CE 3.11Å
819E80.8Confident76.8Confident35 Ų3562 Ų6216%0.16433%0.325CS..Hα-helixtrans-65.9-40.2179.8-170175.5145.900112.1R808 A815 Y816 N821 E822 K823 M964R808-E819 IonicContact NH1-OE2 2.79Å; A815-E819 PolarHBondContact O-N 3.38Å; Y816-E819 PolarHBondContact O-N 3.17Å; E819-N821 VanDerWaalsContact C-N 3.32Å; E819-N821 PolarHBondContact O-N 3.21Å; E819-E822 PolarHBondContact O-N 3.26Å; E819-K823 HydrophobicContact CG-CD 4.12Å; E819-K823 HydrophobicContact CG-CG 4.43Å; E819-K823 WeakPolarHBondContact O-CB 3.45Å; E819-K823 WeakPolarHBondContact O-CG 3.13Å; E819-K823 PolarHBondContact O-N 2.99Å; E819-K823 WeakPolarHBondContact OE1-CE 3.49Å; E819-K823 IonicContact OE1-NZ 3.28Å; E819-K823 PolarHBondContact OE1-NZ 3.42Å; E819-M964 VanDerWaalsContact OE2-SD 3.41Å
820Y82.4Confident75.6Confident32 Ų3264.6 Ų64.613%0.12533%0.332CS..Hα-helixtrans-57.5-46.3173.2179.3-90.9000111.2Y816 K823 R824 I897 L937 C940Y816-Y820 WeakPolarHBondContact O-CB 3.47Å; Y816-Y820 PolarHBondContact O-N 3.48Å; Y820-K823 PolarHBondContact O-N 3.04Å; Y820-R824 WeakPolarHBondContact O-CB 3.26Å; Y820-R824 PolarHBondContact O-N 3Å; Y820-I897 HydrophobicContact CD1-CD1 4.24Å; Y820-I897 HydrophobicContact CD1-CG2 4.36Å; Y820-I897 HydrophobicContact CE1-CB 4.3Å; Y820-I897 HydrophobicContact CE1-CD1 3.7Å; Y820-I897 HydrophobicContact CE1-CG2 4.45Å; Y820-L937 HydrophobicContact CD1-CD2 3.99Å; Y820-L937 HydrophobicContact CD2-CD2 3.79Å; Y820-L937 HydrophobicContact CE2-CD2 4.39Å; Y820-L937 HydrophobicContact CG-CD2 3.56Å; Y820-C940 HydrophobicContact CD2-CB 3.99Å; Y820-C940 HydrophobicContact CE2-CB 3.84Å
821N82.3Confident73.6Confident32 Ų3262 Ų6217%0.17133%0.326CS..Hα-helixtrans-64.1-44.2177.1-177.539.3000111.8L817 L818 E819 R824 N825 L901L817-N821 WeakPolarHBondContact O-CB 3.33Å; L817-N821 PolarHBondContact O-N 2.77Å; L818-N821 WeakPolarHBondContact O-CB 3.48Å; L818-N821 PolarHBondContact O-N 2.79Å; E819-N821 VanDerWaalsContact C-N 3.32Å; E819-N821 PolarHBondContact O-N 3.21Å; N821-R824 PolarHBondContact O-N 3.1Å; N821-N825 WeakPolarHBondContact O-CB 3.42Å; N821-N825 VanDerWaalsContact O-CG 3.25Å; N821-N825 PolarHBondContact O-N 3.14Å; N821-N825 PolarHBondContact O-ND2 2.62Å; N821-N825 PolarHBondContact OD1-ND2 2.85Å; N821-N825 VanDerWaalsContact OD1-ND2 3.15Å; N821-L901 HydrophobicContact CB-CD2 3.69Å
822E78.6Confident71.5Confident109 Ų10967 Ų6751%0.50936%0.358SS..Hα-helixtrans-61.7-45.5176.1-75.4-175.3-174.200112.8L818 E819 R824 N825 K826L818-E822 WeakPolarHBondContact O-CG 3.39Å; L818-E822 PolarHBondContact O-N 2.93Å; E819-E822 PolarHBondContact O-N 3.26Å; E822-R824 VanDerWaalsContact C-N 3.31Å; E822-R824 PolarHBondContact O-N 3.33Å; E822-N825 PolarHBondContact O-N 2.87Å; E822-K826 WeakPolarHBondContact O-CG 3.47Å; E822-K826 PolarHBondContact O-N 3.3Å
823K73.1Confident69.3Low85 Ų8573.9 Ų73.937%0.3739%0.391SS..Hα-helixtrans-60.6-41.6177.5-79.5172.5168.2166.40111.4E819 Y820 K826 K827E819-K823 HydrophobicContact CG-CD 4.12Å; E819-K823 HydrophobicContact CG-CG 4.43Å; E819-K823 WeakPolarHBondContact O-CB 3.45Å; E819-K823 WeakPolarHBondContact O-CG 3.13Å; E819-K823 PolarHBondContact O-N 2.99Å; E819-K823 WeakPolarHBondContact OE1-CE 3.49Å; E819-K823 IonicContact OE1-NZ 3.28Å; E819-K823 PolarHBondContact OE1-NZ 3.42Å; Y820-K823 PolarHBondContact O-N 3.04Å; K823-K826 PolarHBondContact O-N 2.62Å; K823-K827 PolarHBondContact O-N 2.84Å
824R72.7Confident66.6Low122 Ų12285.2 Ų85.246%0.4643%0.434SS..Hα-helixtrans-67.4-41.4177.8-167.8177.9175.384.711.4111.9Y820 N821 E822 K826 K827 A828 D898Y820-R824 WeakPolarHBondContact O-CB 3.26Å; Y820-R824 PolarHBondContact O-N 3Å; N821-R824 PolarHBondContact O-N 3.1Å; E822-R824 VanDerWaalsContact C-N 3.31Å; E822-R824 PolarHBondContact O-N 3.33Å; R824-K826 VanDerWaalsContact C-N 3.34Å; R824-K826 PolarHBondContact O-N 2.99Å; R824-K827 PolarHBondContact O-N 2.67Å; R824-A828 PolarHBondContact O-N 3.48Å; R824-A828 VanDerWaalsContact O-N 3.08Å; R824-D898 WeakPolarHBondContact CD-OD2 3.37Å; R824-D898 IonicContact CZ-OD2 3.81Å; R824-D898 IonicContact NE-OD2 3.47Å; R824-D898 PolarHBondContact NE-OD2 2.82Å
825N72.3Confident63.9Low93 Ų9388.9 Ų88.950%0.49747%0.466SS..Hα-helixtrans-64.5-36.8174.9-71.7-35.1000112.1N821 E822 A828 S829N821-N825 WeakPolarHBondContact O-CB 3.42Å; N821-N825 VanDerWaalsContact O-CG 3.25Å; N821-N825 PolarHBondContact O-N 3.14Å; N821-N825 PolarHBondContact O-ND2 2.62Å; N821-N825 PolarHBondContact OD1-ND2 2.85Å; N821-N825 VanDerWaalsContact OD1-ND2 3.15Å; E822-N825 PolarHBondContact O-N 2.87Å; N825-A828 PolarHBondContact O-N 3.27Å; N825-S829 PolarHBondContact O-N 2.71Å
826K69.2Low61.3Low135 Ų13596.9 Ų96.959%0.58750%0.5SS*.Hα-helixtrans-64.7-46.6172.6-73.5174.2-1781710112.1E822 K823 R824 A828 S829 T830E822-K826 WeakPolarHBondContact O-CG 3.47Å; E822-K826 PolarHBondContact O-N 3.3Å; K823-K826 PolarHBondContact O-N 2.62Å; R824-K826 VanDerWaalsContact C-N 3.34Å; R824-K826 PolarHBondContact O-N 2.99Å; K826-A828 VanDerWaalsContact C-N 3.28Å; K826-A828 PolarHBondContact O-N 2.77Å; K826-S829 PolarHBondContact O-N 2.95Å; K826-S829 PolarHBondContact O-OG 3.2Å; K826-T830 PolarHBondContact O-N 3.14Å; K826-T830 PolarHBondContact O-OG1 3.29Å
827K59.2Low58.6Low137 Ų13799.4 Ų99.460%0.59653%0.53SS*.Hα-helixtrans-58.6-38.4176.7-77-176.1177.6-177.10112.5K823 R824 S829 T830K823-K827 PolarHBondContact O-N 2.84Å; R824-K827 PolarHBondContact O-N 2.67Å; K827-S829 PolarHBondContact O-N 3.4Å; K827-T830 PolarHBondContact O-N 3.04Å; K827-T830 PolarHBondContact O-OG1 3.22Å
828A53.5Low55.7Low81 Ų81108.1 Ų108.167%0.66958%0.576SS**Hα-helixtrans-65.3-23.8176.400000113.6R824 N825 K826R824-A828 PolarHBondContact O-N 3.48Å; R824-A828 VanDerWaalsContact O-N 3.08Å; N825-A828 PolarHBondContact O-N 3.27Å; K826-A828 VanDerWaalsContact C-N 3.28Å; K826-A828 PolarHBondContact O-N 2.77Å
829S48.8Very low52.9Low95 Ų95109.4 Ų109.466%0.66459%0.594SS**Hα-helixtrans-85.4-18.9179.471.10000114.4N825 K826 K827N825-S829 PolarHBondContact O-N 2.71Å; K826-S829 PolarHBondContact O-N 2.95Å; K826-S829 PolarHBondContact O-OG 3.2Å; K827-S829 PolarHBondContact O-N 3.4Å
830T41.1Very low50.3Low106 Ų106115.5 Ų115.565%0.6563%0.628SS**SBendtrans-99.15.4-174.747.60000114.8K826 K827 P832K826-T830 PolarHBondContact O-N 3.14Å; K826-T830 PolarHBondContact O-OG1 3.29Å; K827-T830 PolarHBondContact O-N 3.04Å; K827-T830 PolarHBondContact O-OG1 3.22Å; T830-P832 VanDerWaalsContact O-CD 3.25Å; T830-P832 WeakPolarHBondContact O-CD 3.29Å
831D36.3Very low47.6Very low112 Ų112118.8 Ų118.860%0.59966%0.656SS**  trans-95.999.1-178.9-143.7-7.7000110.4L833D831-L833 PolarHBondContact O-N 2.79Å
832P41.9Very low44.8Very low105 Ų105123.2 Ų123.268%0.68268%0.684SS**G310 helixtrans-74.4-11.8-166.1-12.429.4000113.8T830 R834T830-P832 VanDerWaalsContact O-CD 3.25Å; T830-P832 WeakPolarHBondContact O-CD 3.29Å; P832-R834 VanDerWaalsContact C-N 3.33Å; P832-R834 PolarHBondContact O-N 3.27Å
833L38.8Very low42.3Very low167 Ų167123.4 Ų123.487%0.87469%0.693SS**G310 helixtrans-87.83.9-173.5-75.9164.3000114.5D831D831-L833 PolarHBondContact O-N 2.79Å
834R33Very low39.9Very low239 Ų239131 Ų13190%0.90272%0.72SS**G310 helixtrans-113.10.4173.9-136177.8153160-5.2114.8P832P832-R834 VanDerWaalsContact C-N 3.33Å; P832-R834 PolarHBondContact O-N 3.27Å
835A34.5Very low37.5Very low89 Ų89129.5 Ų129.574%0.73673%0.727SS**SBendtrans-92.5-3.5179.800000114.4
836Q30.5Very low35.2Very low190 Ų190133 Ų13389%0.88874%0.741SS**SBendtrans-112.7105.3174.3-71.2-175.57.300110.6
837G27Very low33.2Very low67 Ų67134.8 Ų134.869%0.69176%0.755SS**SBendtrans125.753.4162.600000115.8
838L26.9Very low32.1Very low182 Ų182133.3 Ų133.395%0.95376%0.76SS**  trans-144.852155.3-84.4174.3000110
839A28Very low30.7Very low84 Ų84139.4 Ų139.469%0.69477%0.772SS**SBendtrans-109.9118.4151.100000106.2
840N26.9Very low29.4Very low163 Ų163142.4 Ų142.487%0.87278%0.78SS**SBendtrans7492.2173.4-49.6-19.1000116.1
841S24.9Very low28.6Very low101 Ų101148.9 Ų148.971%0.70679%0.794SS**  170.9121.4112.6-172.50000110
842T24.2Very low27.9Very low125 Ų125154.7 Ų154.777%0.76781%0.807SS**  trans-53.8151.2159.827.80000111.6
843T26.2Very low27.1Very low113 Ų113154.5 Ų154.569%0.69381%0.814SS**  trans70.3122.9-176.870.10000110.9
844W22.7Very low26.3Very low246 Ų246155.1 Ų155.193%0.93281%0.813SS**  -152.1123.984.9-79.617.2000110.3
845S22Very low25.8Very low89 Ų89147 Ų14762%0.62280%0.803SS**  trans-77.7157.7156.441.60000109.9
846H23.2Very low25.3Very low168 Ų168151.7 Ų151.778%0.77881%0.81SS**  trans90.7105.1172.2-51.7-79.4000116.7
847L27.5Very low25Very low171 Ų171148.2 Ų148.290%0.89581%0.806SS**  -177.2148.8107.4-89.6164.3000111.2
848P37.3Very low24.7Very low106 Ų106157 Ų15769%0.68882%0.819SS**  trans-101.6152.3-165.138.3-31.3000113.2
849F23.3Very low24.6Very low210 Ų210154.2 Ų154.292%0.92181%0.814SS**  trans-140.6129.9165.6-121.7-90.9000113.2
850L22.1Very low24.3Very low158 Ų158155.3 Ų155.383%0.82782%0.817SS**  trans-76.6135.2-173.9-70.7150000111.4
851Y23.6Very low24.3Very low241 Ų241154.3 Ų154.395%0.94582%0.816SS**  trans-129.2114.7153.5-107.4-90000109.1
852R21.2Very low24.2Very low234 Ų234156.2 Ų156.288%0.88382%0.819SS**  trans-97.3124.4179.6-173.4-177.5-155.4161.64.3107.2
853A25.3Very low24.3Very low101 Ų101162.4 Ų162.484%0.83583%0.828SS**  trans-128.6120171.400000109.5
854E22.9Very low24.1Very low181 Ų181166.2 Ų166.285%0.84684%0.84SS**  trans-65.3138.8176.1-62.4165.6162.100109.2
855G22.5Very low24Very low67 Ų67166.7 Ų166.769%0.69184%0.842SS**  cis106.576.247.300000108.7
856H23.6Very low24.2Very low189 Ų189167.2 Ų167.288%0.87585%0.846SS**  trans-134117.5167.6-80.477.9000110.2
857S22.9Very low24.3Very low117 Ų117165 Ų16582%0.81885%0.849SS**  trans-64.6133.6-174.150.80000113.9
858R22.3Very low24.2Very low251 Ų251161.6 Ų161.695%0.94784%0.84SS**  trans-138.5143.9161.3-95.8-176.2173.4178.7-1.8112
859S23.4Very low24Very low123 Ų123159.6 Ų159.686%0.8683%0.832SS**  trans-80.4146.9-171.649.10000113.6
860S23.1Very low24.2Very low107 Ų107156.6 Ų156.675%0.74882%0.821SS**  trans-76.6139.2-176.5-172.30000113.2
861V25Very low24.7Very low142 Ų142151.8 Ų151.886%0.86180%0.799SS**  trans-147.4132.6148.2-1780000109.1
862D24.4Very low25.1Very low142 Ų142145.5 Ų145.576%0.75978%0.781SS**  trans-56.9148.4-177.5-61.8-63.6000116
863R24.8Very low25.4Very low255 Ų255138 Ų13896%0.96277%0.77SS**  trans-158.1147.8148.3-113.6170.2-162.6-163.14.5115.1
864M22.1Very low25.6Very low193 Ų193145.2 Ų145.295%0.95178%0.775SS**  trans-76.5154.1-167.8-75.8169.4145.700115.3
865R22.3Very low25.8Very low255 Ų255143.6 Ų143.696%0.96277%0.772SS**  trans-64.4140.3177.9-75.2172.1166.8173.7-5114.7
866S24.9Very low25.9Very low101 Ų101149.8 Ų149.871%0.70678%0.783SS**  trans-148.6137.9147.152.80000110.7
867S24.9Very low26.2Very low120 Ų120145.9 Ų145.984%0.83978%0.777SS**  trans-87.2116.1-169.355.50000113.9
868S26.8Very low26.5Very low101 Ų101143.5 Ų143.571%0.70677%0.771SS**SBendtrans-168.6143.3155.941.30000108E870S868-E870 WeakPolarHBondContact O-CG 3.22Å; S868-E870 PolarHBondContact O-N 2.75Å
869A31.7Very low26.7Very low64 Ų64141.1 Ų141.153%0.52977%0.768SS.*  trans-40.398.2-16900000114.3
870E28.1Very low26.7Very low146 Ų146143.7 Ų143.768%0.68276%0.764SS**  trans-84.7134.7179-75-178.716000110S868 L872S868-E870 WeakPolarHBondContact O-CG 3.22Å; S868-E870 PolarHBondContact O-N 2.75Å; E870-L872 PolarHBondContact O-N 3.27Å
871P33.3Very low26.9Very low57 Ų57143.7 Ų143.737%0.3776%0.764SS.*BIsolated β-bridgetrans-57.5130.2160-14.427.7000108.2A873P871-A873 PolarHBondContact O-N 3.06Å
872L30.7Very low26.9Very low109 Ų109145.5 Ų145.557%0.57176%0.762SS**  trans-59.3102.1-180-74165.5000110.2E870 K1096E870-L872 PolarHBondContact O-N 3.27Å; L872-K1096 HydrophobicContact CD1-CB 4.37Å; L872-K1096 HydrophobicContact CD2-CD 4.3Å; L872-K1096 HydrophobicContact CG-CB 4.42Å
873A29.4Very low26.9Very low78 Ų78144.9 Ų144.965%0.64576%0.759SS**  trans-69.3135.6162.100000108.4P871 D875P871-A873 PolarHBondContact O-N 3.06Å; A873-D875 PolarHBondContact O-N 3.18Å
874R28.2Very low27.1Very low252 Ų252137.4 Ų137.495%0.95175%0.752SS**  trans-64.795.1178.6-92.2177.8166.3168-4.3110Q876R874-Q876 PolarHBondContact O-N 3.34Å
875D26.5Very low27.5Very low147 Ų147136.3 Ų136.379%0.78674%0.744SS**  trans-67.6121.8176.5-84.9-29.7000112.1A873A873-D875 PolarHBondContact O-N 3.18Å
876Q26.5Very low27.9Very low197 Ų197133.2 Ų133.292%0.92174%0.741SS**  trans-100.294.8162.5-67-17719.200107.6R874R874-Q876 PolarHBondContact O-N 3.34Å
877S28.5Very low28.6Very low106 Ų106136.1 Ų136.174%0.74174%0.743SS**  trans-135.2117.4167.859.20000109.7
878G30Very low29.7Very low68 Ų68135.1 Ų135.170%0.70173%0.731SS**  trans-90.2128.6169.800000109.2
879F26Very low31.1Very low200 Ų200137.5 Ų137.588%0.87774%0.735SS**  trans-159136.2144.7-110.4-80000110.6
880K23.5Very low32.9Very low178 Ų178135.6 Ų135.677%0.77472%0.716SS**  trans-15.5121.8174.3-64.6173.5177.2179.50118.9
881S27.2Very low35.2Very low106 Ų106132.6 Ų132.674%0.74171%0.709SS**  trans28.2100137.264.80000118.5
882H24.9Very low37.3Very low180 Ų180135.7 Ų135.783%0.83373%0.729SS**  -155.3125.5128-110-71.7000110.2
883D25.3Very low40Very low130 Ų130131.7 Ų131.770%0.69571%0.709SS**  trans16.5110.6163.7-60.1-55.8000121.4H885D883-H885 PolarHBondContact O-N 3Å
884A29.2Very low42.8Very low98 Ų98131.1 Ų131.181%0.8170%0.698SS**  50.363.3129.100000119.4
885H29.7Very low45.6Very low169 Ų169122 Ų12278%0.78267%0.67SS**  trans-95.8106.2146.8-73.5-72.3000109.1D883 H887D883-H885 PolarHBondContact O-N 3Å; H885-H887 VanDerWaalsContact C-N 3.34Å; H885-H887 PolarHBondContact O-N 3.16Å
886Q30.6Very low48.5Very low191 Ų191117 Ų11789%0.89365%0.647SS**  trans-59.193.3169.3-81.8173-21.400109.3V888Q886-V888 PolarHBondContact O-N 2.82Å; Q886-V888 VanDerWaalsContact O-N 3.1Å
887H40.4Very low51.6Low162 Ų162108 Ų10875%0.7561%0.605SS**  trans-64.4108.4168.2-83.8-89.5000108.6H885 L889H885-H887 VanDerWaalsContact C-N 3.34Å; H885-H887 PolarHBondContact O-N 3.16Å; H887-L889 PolarHBondContact O-N 3.47Å
888V46.7Very low54.4Low99 Ų99105 Ų10560%0.658%0.581SS**  trans-64.199.9171.1179.50000107.7Q886Q886-V888 PolarHBondContact O-N 2.82Å; Q886-V888 VanDerWaalsContact O-N 3.1Å
889L56.9Low57.3Low150 Ų150103.6 Ų103.679%0.78556%0.555SS**  trans-93.7115.1177.7-83148.9000108.8H887H887-L889 PolarHBondContact O-N 3.47Å
890L69.1Low60.5Low25 Ų2594.1 Ų94.113%0.13151%0.513CS..PPolyproline II helixtrans-49.1131.2165.2-83.7161.4000109.5E1007 Q1009 I1085 R1087 T1094L890-E1007 HydrophobicContact CD2-CG 4.18Å; L890-E1007 VanDerWaalsContact CD2-OE1 3.31Å; L890-E1007 WeakPolarHBondContact CD2-OE1 3.45Å; L890-E1007 WeakPolarHBondContact CD2-OE2 3.24Å; L890-Q1009 HydrophobicContact CD2-CG 3.91Å; L890-Q1009 HydrophobicContact CG-CG 4.36Å; L890-I1085 HydrophobicContact CD1-CG2 3.67Å; L890-R1087 HydrophobicContact CD1-CB 4.06Å; L890-T1094 HydrophobicContact CD1-CG2 4.21Å
891P76.5Confident63.7Low83 Ų8385.7 Ų85.754%0.53948%0.477SS..PPolyproline II helixtrans-60.2135178.624.1-32.3000109.5R1087P891-R1087 PolarHBondContact O-NH1 3.43Å; P891-R1087 PolarHBondContact O-NH2 2.78Å
892P78.5Confident66.7Low122 Ų12282.7 Ų82.779%0.79246%0.456SS*.PPolyproline II helixtrans-60.6142-177.425.7-34000110.9
893L85.9Confident69.8Low25 Ų2575.9 Ų75.913%0.13142%0.424CS..PPolyproline II helixtrans-64.2145.9175.9-74.2-178000111T895 Y899 Q1089L893-T895 PolarHBondContact O-N 3.31Å; L893-Y899 WeakPolarHBondContact CD2-OH 3.24Å; L893-Q1089 WeakPolarHBondContact CD1-O 3.4Å; L893-Q1089 VanDerWaalsContact CD2-OE1 3.31Å
894P88Confident73Confident65 Ų6569.7 Ų69.742%0.42239%0.391SS..PPolyproline II helixtrans-56.7131173-23.233.8000111.1Y899 R927P894-Y899 HydrophobicContact CB-CD2 3.68Å; P894-Y899 HydrophobicContact CB-CE2 4.31Å; P894-Y899 HydrophobicContact CB-CG 3.9Å; P894-Y899 HydrophobicContact CG-CD2 3.57Å; P894-Y899 HydrophobicContact CG-CE2 3.76Å; P894-Y899 HydrophobicContact CG-CG 4.27Å; P894-R927 PolarHBondContact O-NH2 2.94Å
895T86.8Confident75.8Confident60 Ų6068.8 Ų68.837%0.36837%0.371SS..  trans-99.721.718066.10000112.5L893 L929 R932L893-T895 PolarHBondContact O-N 3.31Å; T895-L929 HydrophobicContact CG2-CD1 4.39Å; T895-L929 HydrophobicContact CG2-CD2 4.16Å; T895-R932 PolarHBondContact OG1-NH1 3.32Å
896S89.2Confident78.6Confident44 Ų4468 Ų6831%0.30837%0.365SS..SBendtrans-83.1150.9-18056.30000111.4D898 Y899S896-D898 PolarHBondContact O-N 3.42Å; S896-Y899 WeakPolarHBondContact O-CB 2.84Å; S896-Y899 PolarHBondContact O-N 2.61Å; S896-Y899 PolarHBondContact OG-N 3.49Å
897I90.2Very high81.3Confident8 Ų859.1 Ų59.14%0.04132%0.324CS..Hα-helixtrans-54.9-43171.5-68169.4000110L817 Y820 Y899 D900 L901 F920 H933 L937L817-I897 HydrophobicContact CD2-CG2 3.95Å; Y820-I897 HydrophobicContact CD1-CD1 4.24Å; Y820-I897 HydrophobicContact CD1-CG2 4.36Å; Y820-I897 HydrophobicContact CE1-CB 4.3Å; Y820-I897 HydrophobicContact CE1-CD1 3.7Å; Y820-I897 HydrophobicContact CE1-CG2 4.45Å; I897-Y899 PolarHBondContact O-N 2.75Å; I897-D900 PolarHBondContact O-N 3.2Å; I897-D900 VanDerWaalsContact O-N 3.16Å; I897-L901 VanDerWaalsContact O-CB 3.29Å; I897-L901 WeakPolarHBondContact O-CB 3.37Å; I897-L901 PolarHBondContact O-N 3.14Å; I897-F920 HydrophobicContact CG2-CE2 4.16Å; I897-F920 HydrophobicContact CG2-CZ 4Å; I897-H933 HydrophobicContact CD1-CB 4.29Å; I897-H933 HydrophobicContact CG1-CB 3.92Å; I897-H933 WeakPolarHBondContact CG1-ND1 3.38Å; I897-L937 HydrophobicContact CD1-CD2 3.98Å; I897-L937 HydrophobicContact CD1-CG 4.03Å
898D88.3Confident83.2Confident42 Ų4257.8 Ų57.823%0.22533%0.327CS..Hα-helixtrans-56.5-36.7-179.4-47.9-34.4000112.5R824 S896 S902R824-D898 WeakPolarHBondContact CD-OD2 3.37Å; R824-D898 IonicContact CZ-OD2 3.81Å; R824-D898 IonicContact NE-OD2 3.47Å; R824-D898 PolarHBondContact NE-OD2 2.82Å; S896-D898 PolarHBondContact O-N 3.42Å; D898-S902 VanDerWaalsContact O-CB 3.26Å; D898-S902 WeakPolarHBondContact O-CB 3.36Å; D898-S902 PolarHBondContact O-N 3.19Å; D898-S902 PolarHBondContact O-OG 2.95Å
899Y90.9Very high84.8Confident39 Ų3956.4 Ų56.415%0.15332%0.316CS..Hα-helixtrans-65.8-50178.7-174.4-89.5000110.9L893 P894 S896 I897 S902 H903 Q1089L893-Y899 WeakPolarHBondContact CD2-OH 3.24Å; P894-Y899 HydrophobicContact CB-CD2 3.68Å; P894-Y899 HydrophobicContact CB-CE2 4.31Å; P894-Y899 HydrophobicContact CB-CG 3.9Å; P894-Y899 HydrophobicContact CG-CD2 3.57Å; P894-Y899 HydrophobicContact CG-CE2 3.76Å; P894-Y899 HydrophobicContact CG-CG 4.27Å; S896-Y899 WeakPolarHBondContact O-CB 2.84Å; S896-Y899 PolarHBondContact O-N 2.61Å; S896-Y899 PolarHBondContact OG-N 3.49Å; I897-Y899 PolarHBondContact O-N 2.75Å; Y899-S902 PolarHBondContact O-N 2.74Å; Y899-S902 PolarHBondContact O-OG 2.96Å; Y899-H903 AromaticContact CD1-CE1 3.85Å; Y899-H903 AromaticContact CD1-ND1 3.76Å; Y899-H903 AromaticContact CE1-CE1 3.35Å; Y899-H903 WeakPolarHBondContact CE1-CE1 3.33Å; Y899-H903 AromaticContact CE1-ND1 3.61Å; Y899-H903 AromaticContact CE2-CE1 3.63Å; Y899-H903 AromaticContact CZ-CE1 3.25Å; Y899-H903 AromaticContact CZ-ND1 3.98Å; Y899-H903 PolarHBondContact O-N 3.25Å; Y899-H903 PolarHBondContact O-ND1 3.06Å; Y899-Q1089 PolarHBondContact OH-O 3.13Å
900D92Very high86.2Confident0 Ų050 Ų500%028%0.282CS..Hα-helixtrans-66.9-42.9-180-69.6-4.2000111.2I897 S902 H903 V904 F920 L923 R927 H933I897-D900 PolarHBondContact O-N 3.2Å; I897-D900 VanDerWaalsContact O-N 3.16Å; D900-S902 VanDerWaalsContact C-N 3.32Å; D900-S902 PolarHBondContact O-N 3.12Å; D900-H903 PolarHBondContact O-N 3.27Å; D900-V904 WeakPolarHBondContact O-CG2 3.33Å; D900-V904 PolarHBondContact O-N 3.35Å; D900-F920 HydrophobicContact CB-CD2 4.25Å; D900-F920 HydrophobicContact CB-CE2 3.85Å; D900-L923 HydrophobicContact CB-CD2 3.91Å; D900-L923 HydrophobicContact CB-CG 4.47Å; D900-R927 IonicContact OD1-CZ 2.94Å; D900-R927 IonicContact OD1-NE 3.99Å; D900-R927 IonicContact OD1-NH1 2.66Å; D900-R927 PolarHBondContact OD1-NH1 3.4Å; D900-R927 IonicContact OD1-NH2 2.8Å; D900-H933 IonicContact OD2-CD2 2.63Å; D900-H933 IonicContact OD2-CE1 3.7Å; D900-H933 IonicContact OD2-NE2 3.71Å; D900-H933 PolarHBondContact OD2-NE2 3.02Å
901L92Very high86.9Confident2 Ų257.7 Ų57.71%0.0132%0.315CS..Hα-helixtrans-58.9-43.5177-169.169.9000111.4W814 L817 N821 I897 H903 V904 M905 F920W814-L901 HydrophobicContact CE3-CD1 4.44Å; W814-L901 HydrophobicContact CH2-CD1 3.38Å; W814-L901 HydrophobicContact CZ2-CD1 4.23Å; W814-L901 HydrophobicContact CZ3-CD1 3.51Å; L817-L901 HydrophobicContact CB-CD1 4.27Å; N821-L901 HydrophobicContact CB-CD2 3.69Å; I897-L901 VanDerWaalsContact O-CB 3.29Å; I897-L901 WeakPolarHBondContact O-CB 3.37Å; I897-L901 PolarHBondContact O-N 3.14Å; L901-H903 VanDerWaalsContact C-N 3.3Å; L901-H903 PolarHBondContact O-N 2.89Å; L901-V904 PolarHBondContact O-N 3.43Å; L901-M905 HydrophobicContact CD1-CE 4.18Å; L901-M905 HydrophobicContact CD2-CE 3.99Å; L901-M905 HydrophobicContact CG-CE 3.89Å; L901-M905 HydrophobicContact CG-SD 4.17Å; L901-M905 WeakPolarHBondContact O-CB 3.1Å; L901-M905 VanDerWaalsContact O-CG 3.32Å; L901-M905 WeakPolarHBondContact O-CG 3.1Å; L901-M905 PolarHBondContact O-N 3.21Å; L901-F920 HydrophobicContact CB-CE2 4.42Å; L901-F920 HydrophobicContact CD1-CD2 4.36Å
902S90.2Very high87.4Confident43 Ų4357.3 Ų57.330%0.30131%0.311SS..Hα-helixtrans-64.2-32.2179.377.80000113.5D898 Y899 D900 K906D898-S902 VanDerWaalsContact O-CB 3.26Å; D898-S902 WeakPolarHBondContact O-CB 3.36Å; D898-S902 PolarHBondContact O-N 3.19Å; D898-S902 PolarHBondContact O-OG 2.95Å; Y899-S902 PolarHBondContact O-N 2.74Å; Y899-S902 PolarHBondContact O-OG 2.96Å; D900-S902 VanDerWaalsContact C-N 3.32Å; D900-S902 PolarHBondContact O-N 3.12Å; S902-K906 WeakPolarHBondContact O-CD 3.19Å; S902-K906 VanDerWaalsContact O-CG 3.23Å; S902-K906 WeakPolarHBondContact O-CG 3.36Å; S902-K906 PolarHBondContact O-N 3.23Å
903H89.8Confident87.8Confident36 Ų3654.9 Ų54.917%0.16729%0.289CS..Hα-helixtrans-74.2-42.5176.2-73.590.9000111Y899 D900 L901 M905 K906 L923 V1090Y899-H903 AromaticContact CD1-CE1 3.85Å; Y899-H903 AromaticContact CD1-ND1 3.76Å; Y899-H903 AromaticContact CE1-CE1 3.35Å; Y899-H903 WeakPolarHBondContact CE1-CE1 3.33Å; Y899-H903 AromaticContact CE1-ND1 3.61Å; Y899-H903 AromaticContact CE2-CE1 3.63Å; Y899-H903 AromaticContact CZ-CE1 3.25Å; Y899-H903 AromaticContact CZ-ND1 3.98Å; Y899-H903 PolarHBondContact O-N 3.25Å; Y899-H903 PolarHBondContact O-ND1 3.06Å; D900-H903 PolarHBondContact O-N 3.27Å; L901-H903 VanDerWaalsContact C-N 3.3Å; L901-H903 PolarHBondContact O-N 2.89Å; H903-M905 PolarHBondContact O-N 2.93Å; H903-K906 PolarHBondContact O-N 3.43Å; H903-L923 HydrophobicContact CB-CD2 4.28Å; H903-V1090 HydrophobicContact CB-CG1 4.16Å
904V91.8Very high87.9Confident0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-62.9-41.8177.1172.70000111.3W814 D900 L901 K906 M907 Y916 A919 F920 L923W814-V904 HydrophobicContact CH2-CG1 3.8Å; W814-V904 HydrophobicContact CZ3-CG1 4.06Å; D900-V904 WeakPolarHBondContact O-CG2 3.33Å; D900-V904 PolarHBondContact O-N 3.35Å; L901-V904 PolarHBondContact O-N 3.43Å; V904-K906 VanDerWaalsContact C-N 3.26Å; V904-K906 PolarHBondContact O-N 3.42Å; V904-M907 HydrophobicContact CB-SD 4.5Å; V904-M907 VanDerWaalsContact O-CB 3.27Å; V904-M907 WeakPolarHBondContact O-CB 3.18Å; V904-M907 WeakPolarHBondContact O-CG 3.37Å; V904-M907 PolarHBondContact O-N 3.02Å; V904-M907 VanDerWaalsContact O-N 3.15Å; V904-Y916 HydrophobicContact CG1-CD1 3.83Å; V904-A919 HydrophobicContact CG1-CB 3.93Å; V904-A919 HydrophobicContact CG2-CB 4.37Å; V904-F920 HydrophobicContact CG2-CB 4.22Å; V904-L923 HydrophobicContact CG2-CD2 4.01Å
905M89.1Confident88Confident80 Ų8054.2 Ų54.239%0.39429%0.285SS..Hα-helixtrans-66.2-23.7176.9-74.1178.8166.300114.2W814 L818 L901 H903 M907W814-M905 HydrophobicContact CH2-CE 4.46Å; W814-M905 HydrophobicContact CH2-CG 4.22Å; W814-M905 HydrophobicContact CZ2-CE 4.03Å; W814-M905 HydrophobicContact CZ2-CG 4.13Å; L818-M905 HydrophobicContact CD2-CE 3.11Å; L901-M905 HydrophobicContact CD1-CE 4.18Å; L901-M905 HydrophobicContact CD2-CE 3.99Å; L901-M905 HydrophobicContact CG-CE 3.89Å; L901-M905 HydrophobicContact CG-SD 4.17Å; L901-M905 WeakPolarHBondContact O-CB 3.1Å; L901-M905 VanDerWaalsContact O-CG 3.32Å; L901-M905 WeakPolarHBondContact O-CG 3.1Å; L901-M905 PolarHBondContact O-N 3.21Å; H903-M905 PolarHBondContact O-N 2.93Å; M905-M907 VanDerWaalsContact C-N 3.28Å
906K87.3Confident88.3Confident151 Ų15153.9 Ų53.966%0.65728%0.277SS*.THydrogen-bonded Turntrans-81.1-7.9176.2-72.6168.7-173.2173.50112.9S902 H903 V904 V908S902-K906 WeakPolarHBondContact O-CD 3.19Å; S902-K906 VanDerWaalsContact O-CG 3.23Å; S902-K906 WeakPolarHBondContact O-CG 3.36Å; S902-K906 PolarHBondContact O-N 3.23Å; H903-K906 PolarHBondContact O-N 3.43Å; V904-K906 VanDerWaalsContact C-N 3.26Å; V904-K906 PolarHBondContact O-N 3.42Å; K906-V908 PolarHBondContact O-N 3.24Å
907M86.6Confident88.5Confident5 Ų551.8 Ų51.83%0.02526%0.263CS..  trans-72.6120.9178.5-63.6172.968.800110.2V904 M905 I910 A919 F995 F999 T1002V904-M907 HydrophobicContact CB-SD 4.5Å; V904-M907 VanDerWaalsContact O-CB 3.27Å; V904-M907 WeakPolarHBondContact O-CB 3.18Å; V904-M907 WeakPolarHBondContact O-CG 3.37Å; V904-M907 PolarHBondContact O-N 3.02Å; V904-M907 VanDerWaalsContact O-N 3.15Å; M905-M907 VanDerWaalsContact C-N 3.28Å; M907-I910 HydrophobicContact CB-CD1 4.32Å; M907-I910 HydrophobicContact CE-CD1 3.47Å; M907-I910 VanDerWaalsContact CE-CD1 3.47Å; M907-I910 HydrophobicContact CE-CG1 4.16Å; M907-I910 HydrophobicContact SD-CD1 3.9Å; M907-A919 HydrophobicContact CE-CB 4.32Å; M907-A919 HydrophobicContact SD-CB 4.13Å; M907-F995 HydrophobicContact CE-CE2 4.19Å; M907-F995 HydrophobicContact CE-CZ 4.23Å; M907-F995 HydrophobicContact SD-CE2 3.93Å; M907-F995 HydrophobicContact SD-CZ 3.95Å; M907-F999 HydrophobicContact CE-CB 3.77Å; M907-F999 HydrophobicContact CE-CD1 3.32Å; M907-F999 HydrophobicContact CE-CD2 3.87Å; M907-F999 HydrophobicContact CE-CE1 3.78Å; M907-F999 HydrophobicContact CE-CE2 4.27Å; M907-F999 HydrophobicContact CE-CG 3.37Å; M907-F999 HydrophobicContact CE-CZ 4.23Å; M907-T1002 HydrophobicContact CE-CG2 4.46Å; M907-T1002 WeakPolarHBondContact CE-OG1 3.37Å; M907-T1002 HydrophobicContact CG-CG2 3.93Å
908V81.8Confident88.7Confident134 Ų13456 Ų5681%0.81228%0.278SS*.SBendtrans-88.8-14.9-175.9-66.50000113.7K906K906-V908 PolarHBondContact O-N 3.24Å
909D80.8Confident89Confident71 Ų7154 Ų5438%0.3827%0.267SS..SBendtrans-83.4-19.6-176.754.1-38.2000113.2
910I86.2Confident89.3Confident14 Ų1452.2 Ų52.27%0.07226%0.26CS..  trans-92.4125.6178.3-58.1177.1000109.6M907 T912 G915 Y916 A919 F999M907-I910 HydrophobicContact CB-CD1 4.32Å; M907-I910 HydrophobicContact CE-CD1 3.47Å; M907-I910 VanDerWaalsContact CE-CD1 3.47Å; M907-I910 HydrophobicContact CE-CG1 4.16Å; M907-I910 HydrophobicContact SD-CD1 3.9Å; I910-T912 WeakPolarHBondContact CG2-O 3.39Å; I910-G915 VanDerWaalsContact CG2-C 3.47Å; I910-Y916 HydrophobicContact CB-CD1 4.03Å; I910-Y916 HydrophobicContact CB-CE1 3.85Å; I910-Y916 HydrophobicContact CD1-CD1 4.35Å; I910-Y916 HydrophobicContact CG2-CD1 3.69Å; I910-Y916 HydrophobicContact CG2-CD2 3.87Å; I910-Y916 HydrophobicContact CG2-CE1 3.89Å; I910-Y916 HydrophobicContact CG2-CE2 4.04Å; I910-Y916 HydrophobicContact CG2-CG 3.7Å; I910-Y916 VanDerWaalsContact O-CZ 3.31Å; I910-Y916 PolarHBondContact O-OH 3.45Å; I910-A919 HydrophobicContact CD1-CB 3.39Å; I910-F999 HydrophobicContact CD1-CD1 4.37Å; I910-F999 HydrophobicContact CD1-CE1 3.72Å; I910-F999 HydrophobicContact CD1-CZ 4.16Å; I910-F999 HydrophobicContact CG1-CE1 4.15Å
911K82.4Confident89.4Confident188 Ų18852.2 Ų52.282%0.81726%0.261SS*.  trans-116.8-0.5-179.8-60.8-174.6-178.5-178.70114.2
912T87.8Confident89.6Confident75 Ų7553.1 Ų53.146%0.4626%0.264SS..SBendtrans-124.4142.9-174.562.70000110.4I910 I914 G915 Y916I910-T912 WeakPolarHBondContact CG2-O 3.39Å; T912-I914 VanDerWaalsContact C-N 3.3Å; T912-I914 PolarHBondContact O-N 3.02Å; T912-G915 WeakPolarHBondContact O-CA 3.39Å; T912-G915 PolarHBondContact O-N 3.07Å; T912-G915 PolarHBondContact OG1-N 3.41Å; T912-G915 VanDerWaalsContact OG1-N 3.11Å; T912-Y916 WeakPolarHBondContact O-CD2 3.37Å; T912-Y916 PolarHBondContact O-N 3.44Å
913E86.8Confident89.8Confident71 Ų7151 Ų5133%0.33225%0.249SC..Hα-helixtrans-59.3-40.6177-65.2176.7173.100112.1G809 K810 W814 G915 Y916 A917G809-E913 WeakPolarHBondContact CA-OE2 3.4Å; K810-E913 PolarHBondContact N-OE2 3.09Å; W814-E913 HydrophobicContact CB-CB 4.41Å; W814-E913 HydrophobicContact CG-CB 4.32Å; E913-G915 VanDerWaalsContact C-N 3.27Å; E913-G915 PolarHBondContact O-N 3.41Å; E913-Y916 PolarHBondContact O-N 3.49Å; E913-Y916 VanDerWaalsContact O-N 3.12Å; E913-A917 PolarHBondContact O-N 2.87Å
914I87.6Confident90.1Very high61 Ų6149.3 Ų49.331%0.31324%0.241SC..Hα-helixtrans-59.9-39.9172.5-62.6166.4000110.8K810 T912 R918K810-I914 HydrophobicContact CB-CD1 4.16Å; K810-I914 HydrophobicContact CB-CG1 4.24Å; K810-I914 WeakPolarHBondContact O-CD1 3.12Å; K810-I914 VanDerWaalsContact O-CG1 3.28Å; K810-I914 WeakPolarHBondContact O-CG1 3.22Å; T912-I914 VanDerWaalsContact C-N 3.3Å; T912-I914 PolarHBondContact O-N 3.02Å; I914-R918 WeakPolarHBondContact O-CB 3.25Å; I914-R918 VanDerWaalsContact O-CG 3.28Å; I914-R918 WeakPolarHBondContact O-CG 3.45Å; I914-R918 PolarHBondContact O-N 2.79Å
915G90.8Very high90.2Very high15 Ų1549.4 Ų49.416%0.15524%0.242CC..Hα-helixtrans-62.8-41.5174.900000112.3I910 T912 E913 R918 A919I910-G915 VanDerWaalsContact CG2-C 3.47Å; T912-G915 WeakPolarHBondContact O-CA 3.39Å; T912-G915 PolarHBondContact O-N 3.07Å; T912-G915 PolarHBondContact OG1-N 3.41Å; T912-G915 VanDerWaalsContact OG1-N 3.11Å; E913-G915 VanDerWaalsContact C-N 3.27Å; E913-G915 PolarHBondContact O-N 3.41Å; G915-R918 PolarHBondContact O-N 2.83Å; G915-A919 WeakPolarHBondContact O-CB 3.45Å; G915-A919 PolarHBondContact O-N 3.34Å
916Y93.2Very high90.3Very high52 Ų5246.2 Ų46.220%0.20423%0.226CC..Hα-helixtrans-67.1-43.9177.4-73.3-64.9000111.9W814 V904 I910 T912 E913 R918 A919 F920W814-Y916 HydrophobicContact CH2-CD1 4.43Å; W814-Y916 HydrophobicContact CH2-CG 4.26Å; W814-Y916 HydrophobicContact CZ2-CD1 4.3Å; W814-Y916 HydrophobicContact CZ2-CD2 4.45Å; W814-Y916 AromaticContact CZ2-CG 3.89Å; W814-Y916 HydrophobicContact CZ2-CG 3.89Å; V904-Y916 HydrophobicContact CG1-CD1 3.83Å; I910-Y916 HydrophobicContact CB-CD1 4.03Å; I910-Y916 HydrophobicContact CB-CE1 3.85Å; I910-Y916 HydrophobicContact CD1-CD1 4.35Å; I910-Y916 HydrophobicContact CG2-CD1 3.69Å; I910-Y916 HydrophobicContact CG2-CD2 3.87Å; I910-Y916 HydrophobicContact CG2-CE1 3.89Å; I910-Y916 HydrophobicContact CG2-CE2 4.04Å; I910-Y916 HydrophobicContact CG2-CG 3.7Å; I910-Y916 VanDerWaalsContact O-CZ 3.31Å; I910-Y916 PolarHBondContact O-OH 3.45Å; T912-Y916 WeakPolarHBondContact O-CD2 3.37Å; T912-Y916 PolarHBondContact O-N 3.44Å; E913-Y916 PolarHBondContact O-N 3.49Å; E913-Y916 VanDerWaalsContact O-N 3.12Å; Y916-R918 VanDerWaalsContact C-N 3.35Å; Y916-R918 PolarHBondContact O-N 3.13Å; Y916-A919 PolarHBondContact O-N 3.29Å; Y916-F920 WeakPolarHBondContact O-CB 3.19Å; Y916-F920 PolarHBondContact O-N 2.85Å
917A93.4Very high90.6Very high0 Ų040.5 Ų40.50%020%0.2CC..Hα-helixtrans-56.4-47.6172.500000111.8S811 L813 W814 E913 A919 F920 I921S811-A917 WeakPolarHBondContact OG-CB 3.41Å; L813-A917 HydrophobicContact CD2-CB 4.33Å; W814-A917 HydrophobicContact CB-CB 4.23Å; E913-A917 PolarHBondContact O-N 2.87Å; A917-A919 VanDerWaalsContact C-N 3.34Å; A917-A919 PolarHBondContact O-N 3.43Å; A917-F920 PolarHBondContact O-N 3.34Å; A917-I921 VanDerWaalsContact O-CG1 3.31Å; A917-I921 WeakPolarHBondContact O-CG1 3.33Å; A917-I921 PolarHBondContact O-N 3.04Å
918R94.6Very high90.9Very high97 Ų9744.2 Ų44.237%0.36622%0.216SC..Hα-helixtrans-61.1-40.5176.7-75.4174.3171.5-175-0.5112.4C793 D794 I914 G915 Y916 R922C793-R918 HydrophobicContact CB-CG 3.77Å; D794-R918 IonicContact OD1-CZ 3.57Å; D794-R918 IonicContact OD1-NE 2.76Å; D794-R918 IonicContact OD1-NH2 2.99Å; D794-R918 PolarHBondContact OD1-NH2 3.36Å; D794-R918 IonicContact OD2-NH2 3.33Å; I914-R918 WeakPolarHBondContact O-CB 3.25Å; I914-R918 VanDerWaalsContact O-CG 3.28Å; I914-R918 WeakPolarHBondContact O-CG 3.45Å; I914-R918 PolarHBondContact O-N 2.79Å; G915-R918 PolarHBondContact O-N 2.83Å; Y916-R918 VanDerWaalsContact C-N 3.35Å; Y916-R918 PolarHBondContact O-N 3.13Å; R918-R922 WeakPolarHBondContact O-CB 3.42Å; R918-R922 VanDerWaalsContact O-CG 3.29Å; R918-R922 WeakPolarHBondContact O-CG 3.3Å; R918-R922 PolarHBondContact O-N 3Å
919A94.2Very high91.5Very high0 Ų038.7 Ų38.70%018%0.182CC..Hα-helixtrans-65.8-42.4176.500000112.2V904 M907 I910 G915 Y916 A917 R922 L923 F999V904-A919 HydrophobicContact CG1-CB 3.93Å; V904-A919 HydrophobicContact CG2-CB 4.37Å; M907-A919 HydrophobicContact CE-CB 4.32Å; M907-A919 HydrophobicContact SD-CB 4.13Å; I910-A919 HydrophobicContact CD1-CB 3.39Å; G915-A919 WeakPolarHBondContact O-CB 3.45Å; G915-A919 PolarHBondContact O-N 3.34Å; Y916-A919 PolarHBondContact O-N 3.29Å; A917-A919 VanDerWaalsContact C-N 3.34Å; A917-A919 PolarHBondContact O-N 3.43Å; A919-R922 PolarHBondContact O-N 3.48Å; A919-L923 WeakPolarHBondContact O-CB 3.47Å; A919-L923 PolarHBondContact O-N 3.25Å; A919-F999 HydrophobicContact CB-CE1 4.24Å; A919-F999 HydrophobicContact CB-CE2 3.8Å; A919-F999 HydrophobicContact CB-CZ 3.49Å; A919-F999 VanDerWaalsContact CB-CZ 3.49Å
920F96.2Very high92.2Very high1 Ų135.3 Ų35.30%0.00416%0.164CC..Hα-helixtrans-60.6-47.6174.7180-92.4000112W814 L817 I897 D900 L901 V904 Y916 A917 R922 L923 A924 H933W814-F920 HydrophobicContact CZ3-CB 4.18Å; L817-F920 HydrophobicContact CD1-CB 4.41Å; L817-F920 HydrophobicContact CD1-CD1 3.63Å; L817-F920 HydrophobicContact CD1-CD2 4.38Å; L817-F920 HydrophobicContact CD1-CE1 3.94Å; L817-F920 HydrophobicContact CD1-CG 3.88Å; L817-F920 HydrophobicContact CD1-CZ 4.44Å; L817-F920 HydrophobicContact CD2-CD1 4.27Å; L817-F920 HydrophobicContact CD2-CE1 3.72Å; L817-F920 HydrophobicContact CD2-CE2 4.15Å; L817-F920 HydrophobicContact CD2-CZ 3.66Å; L817-F920 HydrophobicContact CG-CE1 4.49Å; I897-F920 HydrophobicContact CG2-CE2 4.16Å; I897-F920 HydrophobicContact CG2-CZ 4Å; D900-F920 HydrophobicContact CB-CD2 4.25Å; D900-F920 HydrophobicContact CB-CE2 3.85Å; L901-F920 HydrophobicContact CB-CE2 4.42Å; L901-F920 HydrophobicContact CD1-CD2 4.36Å; V904-F920 HydrophobicContact CG2-CB 4.22Å; Y916-F920 WeakPolarHBondContact O-CB 3.19Å; Y916-F920 PolarHBondContact O-N 2.85Å; A917-F920 PolarHBondContact O-N 3.34Å; F920-R922 VanDerWaalsContact C-N 3.34Å; F920-R922 PolarHBondContact O-N 3.29Å; F920-L923 PolarHBondContact O-N 3.09Å; F920-A924 VanDerWaalsContact O-CB 3.29Å; F920-A924 WeakPolarHBondContact O-CB 3.42Å; F920-A924 PolarHBondContact O-N 2.98Å; F920-H933 HydrophobicContact CE1-CB 4.44Å; F920-H933 HydrophobicContact CZ-CB 4.26Å; F920-H933 AromaticContact CZ-CD2 3.76Å
921I95.7Very high92.5Very high1 Ų137.2 Ų37.21%0.00517%0.171CC..Hα-helixtrans-59-46.5176.6-66.2165.3000110.6C793 I796 L813 A917 A924 L925 L930C793-I921 HydrophobicContact CB-CD1 4.03Å; I796-I921 HydrophobicContact CB-CD1 4.15Å; I796-I921 HydrophobicContact CD1-CD1 4.13Å; I796-I921 HydrophobicContact CD1-CG1 4.38Å; I796-I921 HydrophobicContact CD1-CG2 3.96Å; I796-I921 HydrophobicContact CG2-CD1 4.13Å; L813-I921 HydrophobicContact CD2-CD1 3.66Å; L813-I921 HydrophobicContact CD2-CG1 3.88Å; A917-I921 VanDerWaalsContact O-CG1 3.31Å; A917-I921 WeakPolarHBondContact O-CG1 3.33Å; A917-I921 PolarHBondContact O-N 3.04Å; I921-A924 PolarHBondContact O-N 2.63Å; I921-L925 VanDerWaalsContact O-CB 3.22Å; I921-L925 WeakPolarHBondContact O-CB 3.37Å; I921-L925 PolarHBondContact O-N 3.38Å; I921-L930 HydrophobicContact CB-CD1 4.49Å; I921-L930 HydrophobicContact CG1-CD1 4.48Å; I921-L930 HydrophobicContact CG2-CD1 4.12Å; I921-L930 HydrophobicContact CG2-CD2 4.08Å
922R94.5Very high93Very high20 Ų2034.6 Ų34.68%0.07516%0.156CC..Hα-helixtrans-63.3-42.2179.8-75.4173.3179.5-97.4-2.6112.3N786 V789 R918 A919 F920 E926 C994 F995 T998 F999N786-R922 PolarHBondContact O-NH2 3.32Å; N786-R922 PolarHBondContact OD1-NH1 3.4Å; V789-R922 HydrophobicContact CG1-CG 3.91Å; R918-R922 WeakPolarHBondContact O-CB 3.42Å; R918-R922 VanDerWaalsContact O-CG 3.29Å; R918-R922 WeakPolarHBondContact O-CG 3.3Å; R918-R922 PolarHBondContact O-N 3Å; A919-R922 PolarHBondContact O-N 3.48Å; F920-R922 VanDerWaalsContact C-N 3.34Å; F920-R922 PolarHBondContact O-N 3.29Å; R922-E926 WeakPolarHBondContact O-CB 3.18Å; R922-E926 PolarHBondContact O-N 2.85Å; R922-C994 HydrophobicContact CG-CB 4.4Å; R922-C994 PolarHBondContact NH1-O 3.14Å; R922-C994 VanDerWaalsContact NH1-O 3.16Å; R922-C994 PolarHBondContact O-SG 3.17Å; R922-C994 VanDerWaalsContact O-SG 3.34Å; R922-F995 HydrophobicContact CB-CB 4.21Å; R922-F995 HydrophobicContact CB-CD2 4.36Å; R922-T998 PolarHBondContact NH1-OG1 3.16Å; R922-F999 HydrophobicContact CB-CE2 4.43Å
923L94.8Very high93.3Very high0 Ų031.1 Ų31.10%013%0.134CC..Hα-helixtrans-64.2-49.1176.9-179.557.3000110.9D900 H903 V904 A919 F920 L925 E926 R927 F995 V1090 T1091D900-L923 HydrophobicContact CB-CD2 3.91Å; D900-L923 HydrophobicContact CB-CG 4.47Å; H903-L923 HydrophobicContact CB-CD2 4.28Å; V904-L923 HydrophobicContact CG2-CD2 4.01Å; A919-L923 WeakPolarHBondContact O-CB 3.47Å; A919-L923 PolarHBondContact O-N 3.25Å; F920-L923 PolarHBondContact O-N 3.09Å; L923-L925 VanDerWaalsContact C-N 3.31Å; L923-L925 PolarHBondContact O-N 2.86Å; L923-E926 PolarHBondContact O-N 3.05Å; L923-R927 HydrophobicContact CD1-CG 4.19Å; L923-R927 WeakPolarHBondContact O-CB 3.49Å; L923-R927 VanDerWaalsContact O-CG 3.26Å; L923-R927 WeakPolarHBondContact O-CG 3.44Å; L923-R927 PolarHBondContact O-N 3.15Å; L923-F995 HydrophobicContact CB-CD2 3.65Å; L923-F995 HydrophobicContact CB-CE2 3.95Å; L923-F995 HydrophobicContact CB-CG 4.21Å; L923-F995 HydrophobicContact CD1-CD1 4.18Å; L923-F995 HydrophobicContact CD1-CD2 4.27Å; L923-F995 HydrophobicContact CD1-CE1 4.34Å; L923-F995 HydrophobicContact CD1-CE2 4.43Å; L923-F995 HydrophobicContact CD1-CG 4.14Å; L923-F995 HydrophobicContact CD1-CZ 4.47Å; L923-F995 HydrophobicContact CG-CD2 4.48Å; L923-V1090 HydrophobicContact CD1-CG1 3.81Å; L923-V1090 HydrophobicContact CD2-CG1 4.28Å; L923-T1091 HydrophobicContact CD1-CG2 4.29Å
924A95.7Very high93.5Very high0 Ų027.8 Ų27.80%012%0.119CC..Hα-helixtrans-63.2-36.7179.400000112.2F920 I921 K928 L929 L930F920-A924 VanDerWaalsContact O-CB 3.29Å; F920-A924 WeakPolarHBondContact O-CB 3.42Å; F920-A924 PolarHBondContact O-N 2.98Å; I921-A924 PolarHBondContact O-N 2.63Å; A924-K928 PolarHBondContact O-N 3.47Å; A924-K928 VanDerWaalsContact O-N 3.16Å; A924-L929 PolarHBondContact O-N 2.97Å; A924-L930 HydrophobicContact CB-CB 4.04Å; A924-L930 HydrophobicContact CB-CD1 4.05Å; A924-L930 PolarHBondContact O-N 2.93Å
925L93.8Very high93.6Very high2 Ų228.5 Ų28.51%0.0112%0.119CC..Hα-helixtrans-66.6-48.7176.4-177.263.2000111.4V789 L792 I921 L923 R927 K928 L930 L987 F992V789-L925 HydrophobicContact CG1-CD2 4.38Å; V789-L925 HydrophobicContact CG2-CD2 4.35Å; L792-L925 HydrophobicContact CD2-CD2 4.3Å; I921-L925 VanDerWaalsContact O-CB 3.22Å; I921-L925 WeakPolarHBondContact O-CB 3.37Å; I921-L925 PolarHBondContact O-N 3.38Å; L923-L925 VanDerWaalsContact C-N 3.31Å; L923-L925 PolarHBondContact O-N 2.86Å; L925-R927 PolarHBondContact O-N 3.34Å; L925-K928 PolarHBondContact O-N 3.45Å; L925-L930 HydrophobicContact CB-CD2 4.27Å; L925-L930 HydrophobicContact CD1-CD2 4.13Å; L925-L987 HydrophobicContact CD1-CB 3.96Å; L925-L987 HydrophobicContact CD1-CD1 3.83Å; L925-F992 HydrophobicContact CD1-CD2 3.91Å; L925-F992 HydrophobicContact CD1-CE2 4.07Å; L925-F992 HydrophobicContact CD2-CB 4.44Å; L925-F992 HydrophobicContact CD2-CD1 4.27Å; L925-F992 HydrophobicContact CD2-CD2 4.17Å; L925-F992 HydrophobicContact CD2-CG 4Å; L925-F992 HydrophobicContact CG-CB 4.26Å; L925-F992 HydrophobicContact CG-CD2 3.8Å; L925-F992 HydrophobicContact CG-CE2 4.38Å; L925-F992 HydrophobicContact CG-CG 3.99Å
926E92.4Very high93.4Very high12 Ų1229.5 Ų29.56%0.05612%0.124CC..Hα-helixtrans-61.3-34.7177.8177.5155.7171.800112.2R922 L923 K928 F992 Y993 C994 F995 T996 T1091 R1093R922-E926 WeakPolarHBondContact O-CB 3.18Å; R922-E926 PolarHBondContact O-N 2.85Å; L923-E926 PolarHBondContact O-N 3.05Å; E926-K928 VanDerWaalsContact C-N 3.3Å; E926-K928 PolarHBondContact O-N 3.03Å; E926-F992 WeakPolarHBondContact CG-O 3.26Å; E926-Y993 WeakPolarHBondContact OE2-CA 3.28Å; E926-C994 PolarHBondContact OE2-N 3.02Å; E926-F995 HydrophobicContact CB-CB 4.34Å; E926-F995 WeakPolarHBondContact OE2-CA 3.39Å; E926-F995 VanDerWaalsContact OE2-CB 3.29Å; E926-F995 WeakPolarHBondContact OE2-CB 3.34Å; E926-F995 PolarHBondContact OE2-N 3.2Å; E926-T996 PolarHBondContact OE1-OG1 2.65Å; E926-T996 PolarHBondContact OE2-N 3.12Å; E926-T1091 HydrophobicContact CG-CG2 4.39Å; E926-R1093 IonicContact OE1-CZ 2.75Å; E926-R1093 IonicContact OE1-NH1 3.97Å; E926-R1093 PolarHBondContact OE1-NH1 2.93Å; E926-R1093 IonicContact OE2-NH1 3.56Å
927R93.4Very high92.9Very high31 Ų3127 Ų2712%0.11711%0.114CC..THydrogen-bonded Turntrans-82-1.9176.2-68.6-175.266.8171.2-17114.9P894 D900 L923 L925 L929 V1090 T1091P894-R927 PolarHBondContact O-NH2 2.94Å; D900-R927 IonicContact OD1-CZ 2.94Å; D900-R927 IonicContact OD1-NE 3.99Å; D900-R927 IonicContact OD1-NH1 2.66Å; D900-R927 PolarHBondContact OD1-NH1 3.4Å; D900-R927 IonicContact OD1-NH2 2.8Å; L923-R927 HydrophobicContact CD1-CG 4.19Å; L923-R927 WeakPolarHBondContact O-CB 3.49Å; L923-R927 VanDerWaalsContact O-CG 3.26Å; L923-R927 WeakPolarHBondContact O-CG 3.44Å; L923-R927 PolarHBondContact O-N 3.15Å; L925-R927 PolarHBondContact O-N 3.34Å; R927-L929 HydrophobicContact CB-CB 4.43Å; R927-L929 HydrophobicContact CB-CD1 4.11Å; R927-L929 HydrophobicContact CB-CG 4.04Å; R927-L929 PolarHBondContact O-N 3.36Å; R927-V1090 WeakPolarHBondContact CD-O 3.41Å; R927-V1090 PolarHBondContact NH1-O 3.46Å; R927-T1091 WeakPolarHBondContact CG-O 3.33Å
928K93.5Very high92.4Very high84 Ų8427.1 Ų27.137%0.36512%0.115SC..THydrogen-bonded Turntrans57.830.1-173.8-54.1-169.1176.6-162.90113.6A924 L925 E926 N988 A990A924-K928 PolarHBondContact O-N 3.47Å; A924-K928 VanDerWaalsContact O-N 3.16Å; L925-K928 PolarHBondContact O-N 3.45Å; E926-K928 VanDerWaalsContact C-N 3.3Å; E926-K928 PolarHBondContact O-N 3.03Å; K928-N988 WeakPolarHBondContact CA-OD1 3.47Å; K928-N988 HydrophobicContact CB-CB 4.48Å; K928-N988 WeakPolarHBondContact CB-OD1 3.37Å; K928-N988 HydrophobicContact CD-CB 4.45Å; K928-N988 WeakPolarHBondContact CE-O 3.16Å; K928-N988 PolarHBondContact NZ-O 3.49Å; K928-N988 PolarHBondContact O-ND2 3.27Å; K928-A990 WeakPolarHBondContact CE-O 3.45Å
929L94.1Very high91.5Very high17 Ų1726.6 Ų26.69%0.08912%0.117CC..  trans-107.4-8.3179.4-64179.5000113.5T895 A924 R927 Y931 R932 H933T895-L929 HydrophobicContact CG2-CD1 4.39Å; T895-L929 HydrophobicContact CG2-CD2 4.16Å; A924-L929 PolarHBondContact O-N 2.97Å; R927-L929 HydrophobicContact CB-CB 4.43Å; R927-L929 HydrophobicContact CB-CD1 4.11Å; R927-L929 HydrophobicContact CB-CG 4.04Å; R927-L929 PolarHBondContact O-N 3.36Å; L929-Y931 PolarHBondContact O-N 2.98Å; L929-R932 WeakPolarHBondContact O-CB 3.14Å; L929-R932 PolarHBondContact O-N 2.96Å; L929-H933 WeakPolarHBondContact CB-NE2 3.47Å; L929-H933 PolarHBondContact O-N 3.43Å
930L94.9Very high90.1Very high1 Ų128.3 Ų28.31%0.00513%0.128CC..Hα-helixtrans-53.2-51.1-175.6-176.462.3000113L792 I796 I921 A924 L925 R932 H933 L934 V984L792-L930 HydrophobicContact CD2-CD2 4.47Å; I796-L930 HydrophobicContact CD1-CD2 4.19Å; I921-L930 HydrophobicContact CB-CD1 4.49Å; I921-L930 HydrophobicContact CG1-CD1 4.48Å; I921-L930 HydrophobicContact CG2-CD1 4.12Å; I921-L930 HydrophobicContact CG2-CD2 4.08Å; A924-L930 HydrophobicContact CB-CB 4.04Å; A924-L930 HydrophobicContact CB-CD1 4.05Å; A924-L930 PolarHBondContact O-N 2.93Å; L925-L930 HydrophobicContact CB-CD2 4.27Å; L925-L930 HydrophobicContact CD1-CD2 4.13Å; L930-R932 VanDerWaalsContact C-N 3.3Å; L930-R932 PolarHBondContact O-N 3.47Å; L930-H933 PolarHBondContact O-N 2.99Å; L930-L934 HydrophobicContact CD1-CD1 4.05Å; L930-L934 HydrophobicContact CD1-CD2 4.36Å; L930-L934 HydrophobicContact CD1-CG 4.03Å; L930-L934 HydrophobicContact CG-CD1 4.09Å; L930-L934 HydrophobicContact CG-CG 4.39Å; L930-L934 VanDerWaalsContact O-CG 3.3Å; L930-L934 WeakPolarHBondContact O-CG 3.35Å; L930-L934 PolarHBondContact O-N 3.06Å; L930-V984 HydrophobicContact CB-CG1 4.25Å; L930-V984 HydrophobicContact CD2-CG1 3.83Å; L930-V984 HydrophobicContact CG-CG1 3.77Å
931Y93.8Very high88.3Confident53 Ų5329.4 Ų29.421%0.20813%0.133CC..Hα-helixtrans-53.8-47.6175.2162.6-97.5000112.2L929 H933 L934 K935 L981 L985L929-Y931 PolarHBondContact O-N 2.98Å; Y931-H933 PolarHBondContact O-N 2.76Å; Y931-L934 PolarHBondContact O-N 3.36Å; Y931-K935 HydrophobicContact CE1-CD 4.16Å; Y931-K935 HydrophobicContact CE2-CD 4.47Å; Y931-K935 VanDerWaalsContact O-CB 3.25Å; Y931-K935 WeakPolarHBondContact O-CB 3.25Å; Y931-K935 PolarHBondContact O-N 3.43Å; Y931-K935 WeakPolarHBondContact OH-CD 3.1Å; Y931-L981 HydrophobicContact CD2-CB 4.13Å; Y931-L981 HydrophobicContact CD2-CD2 4.27Å; Y931-L981 VanDerWaalsContact CD2-O 3.27Å; Y931-L981 WeakPolarHBondContact CD2-O 3.37Å; Y931-L981 HydrophobicContact CE2-CB 3.9Å; Y931-L985 HydrophobicContact CD1-CD1 3.79Å; Y931-L985 HydrophobicContact CD2-CB 3.7Å; Y931-L985 HydrophobicContact CD2-CD1 4.36Å; Y931-L985 HydrophobicContact CD2-CG 4.45Å; Y931-L985 HydrophobicContact CE1-CD1 4.26Å; Y931-L985 HydrophobicContact CE2-CB 4.15Å; Y931-L985 HydrophobicContact CE2-CD2 4.41Å; Y931-L985 HydrophobicContact CG-CB 3.95Å; Y931-L985 HydrophobicContact CG-CD1 3.84Å; Y931-L985 HydrophobicContact CG-CG 4.41Å
932R91.9Very high86.3Confident133 Ų13331.9 Ų31.950%0.50215%0.151SC..Hα-helixtrans-64.9-43.7-176.4-176.4179.7-179.3166.60.2110.8T895 L929 L930 K935 S936T895-R932 PolarHBondContact OG1-NH1 3.32Å; L929-R932 WeakPolarHBondContact O-CB 3.14Å; L929-R932 PolarHBondContact O-N 2.96Å; L930-R932 VanDerWaalsContact C-N 3.3Å; L930-R932 PolarHBondContact O-N 3.47Å; R932-K935 PolarHBondContact O-N 3.28Å; R932-S936 WeakPolarHBondContact O-CB 3.5Å; R932-S936 PolarHBondContact O-N 2.91Å; R932-S936 PolarHBondContact O-OG 3.49Å
933H93.3Very high84Confident3 Ų336.7 Ų36.71%0.01417%0.174CC..Hα-helixtrans-63.8-49.6178.4-65.9-19.6000111I897 D900 F920 L929 L930 Y931 K935 S936 L937I897-H933 HydrophobicContact CD1-CB 4.29Å; I897-H933 HydrophobicContact CG1-CB 3.92Å; I897-H933 WeakPolarHBondContact CG1-ND1 3.38Å; D900-H933 IonicContact OD2-CD2 2.63Å; D900-H933 IonicContact OD2-CE1 3.7Å; D900-H933 IonicContact OD2-NE2 3.71Å; D900-H933 PolarHBondContact OD2-NE2 3.02Å; F920-H933 HydrophobicContact CE1-CB 4.44Å; F920-H933 HydrophobicContact CZ-CB 4.26Å; F920-H933 AromaticContact CZ-CD2 3.76Å; L929-H933 WeakPolarHBondContact CB-NE2 3.47Å; L929-H933 PolarHBondContact O-N 3.43Å; L930-H933 PolarHBondContact O-N 2.99Å; Y931-H933 PolarHBondContact O-N 2.76Å; H933-K935 VanDerWaalsContact C-N 3.33Å; H933-K935 PolarHBondContact O-N 2.91Å; H933-S936 PolarHBondContact O-N 3.13Å; H933-L937 VanDerWaalsContact O-CG 3.28Å; H933-L937 WeakPolarHBondContact O-CG 3.38Å; H933-L937 PolarHBondContact O-N 3.14Å
934L91.8Very high81.7Confident1 Ų139.6 Ų39.61%0.00519%0.189CC..Hα-helixtrans-60.9-42.8177.8-63.5-177000111.4I796 W800 L813 L930 Y931 L937 L938 F980 L981 V984I796-L934 HydrophobicContact CD1-CD1 4.37Å; I796-L934 HydrophobicContact CG2-CD2 4.42Å; W800-L934 HydrophobicContact CH2-CB 4.05Å; W800-L934 HydrophobicContact CH2-CD1 4.35Å; W800-L934 HydrophobicContact CH2-CD2 3.6Å; W800-L934 HydrophobicContact CH2-CG 4.18Å; W800-L934 HydrophobicContact CZ2-CD2 3.97Å; W800-L934 HydrophobicContact CZ3-CD1 4.5Å; W800-L934 HydrophobicContact CZ3-CD2 4.09Å; L813-L934 HydrophobicContact CD1-CD2 4.48Å; L930-L934 HydrophobicContact CD1-CD1 4.05Å; L930-L934 HydrophobicContact CD1-CD2 4.36Å; L930-L934 HydrophobicContact CD1-CG 4.03Å; L930-L934 HydrophobicContact CG-CD1 4.09Å; L930-L934 HydrophobicContact CG-CG 4.39Å; L930-L934 VanDerWaalsContact O-CG 3.3Å; L930-L934 WeakPolarHBondContact O-CG 3.35Å; L930-L934 PolarHBondContact O-N 3.06Å; Y931-L934 PolarHBondContact O-N 3.36Å; L934-L937 HydrophobicContact CD2-CD1 4.4Å; L934-L937 PolarHBondContact O-N 3.03Å; L934-L938 WeakPolarHBondContact O-CB 3.46Å; L934-L938 WeakPolarHBondContact O-CG 3.49Å; L934-L938 PolarHBondContact O-N 3.18Å; L934-F980 HydrophobicContact CD1-CE1 4.04Å; L934-F980 HydrophobicContact CD1-CZ 4.01Å; L934-L981 HydrophobicContact CB-CD2 3.91Å; L934-V984 HydrophobicContact CD1-CG1 4.24Å; L934-V984 HydrophobicContact CD1-CG2 4.26Å
935K89.4Confident79.1Confident75 Ų7545.2 Ų45.233%0.32622%0.215SC..Hα-helixtrans-59.9-46.9174.9-179.3169.7175169.30112Y931 R932 H933 L937 L938 E939 L981Y931-K935 HydrophobicContact CE1-CD 4.16Å; Y931-K935 HydrophobicContact CE2-CD 4.47Å; Y931-K935 VanDerWaalsContact O-CB 3.25Å; Y931-K935 WeakPolarHBondContact O-CB 3.25Å; Y931-K935 PolarHBondContact O-N 3.43Å; Y931-K935 WeakPolarHBondContact OH-CD 3.1Å; R932-K935 PolarHBondContact O-N 3.28Å; H933-K935 VanDerWaalsContact C-N 3.33Å; H933-K935 PolarHBondContact O-N 2.91Å; K935-L937 VanDerWaalsContact C-N 3.33Å; K935-L937 PolarHBondContact O-N 3.35Å; K935-L938 PolarHBondContact O-N 2.92Å; K935-L938 VanDerWaalsContact O-N 3.17Å; K935-E939 WeakPolarHBondContact CE-OE1 3.33Å; K935-E939 HydrophobicContact CG-CG 4.32Å; K935-E939 IonicContact NZ-OE1 3.13Å; K935-E939 WeakPolarHBondContact O-CG 3.42Å; K935-E939 PolarHBondContact O-N 3.4Å; K935-L981 HydrophobicContact CB-CD1 4.26Å; K935-L981 HydrophobicContact CB-CD2 4.34Å; K935-L981 HydrophobicContact CG-CD1 4.44Å
936S86Confident76.5Confident36 Ų3653.8 Ų53.825%0.25225%0.249SC..Hα-helixtrans-66.3-31.6178.2-68.80000113.6R932 H933 C940R932-S936 WeakPolarHBondContact O-CB 3.5Å; R932-S936 PolarHBondContact O-N 2.91Å; R932-S936 PolarHBondContact O-OG 3.49Å; H933-S936 PolarHBondContact O-N 3.13Å; S936-C940 PolarHBondContact O-N 3.08Å
937L84.7Confident73.9Confident0 Ų059.1 Ų59.10%028%0.278CS..Hα-helixtrans-65.7-43.1171.5-68.5172.1000110.6L813 Y816 L817 Y820 I897 H933 L934 K935 C940L813-L937 HydrophobicContact CD1-CD1 4.41Å; Y816-L937 HydrophobicContact CD1-CB 4.34Å; Y816-L937 HydrophobicContact CD1-CD2 4.04Å; Y816-L937 HydrophobicContact CE1-CB 3.98Å; Y816-L937 HydrophobicContact CE1-CD2 4.13Å; Y816-L937 PolarHBondContact OH-O 3.43Å; L817-L937 HydrophobicContact CD2-CD1 3.76Å; L817-L937 HydrophobicContact CD2-CD2 4.05Å; L817-L937 HydrophobicContact CD2-CG 4.48Å; L817-L937 HydrophobicContact CG-CD1 4.34Å; Y820-L937 HydrophobicContact CD1-CD2 3.99Å; Y820-L937 HydrophobicContact CD2-CD2 3.79Å; Y820-L937 HydrophobicContact CE2-CD2 4.39Å; Y820-L937 HydrophobicContact CG-CD2 3.56Å; I897-L937 HydrophobicContact CD1-CD2 3.98Å; I897-L937 HydrophobicContact CD1-CG 4.03Å; H933-L937 VanDerWaalsContact O-CG 3.28Å; H933-L937 WeakPolarHBondContact O-CG 3.38Å; H933-L937 PolarHBondContact O-N 3.14Å; L934-L937 HydrophobicContact CD2-CD1 4.4Å; L934-L937 PolarHBondContact O-N 3.03Å; K935-L937 VanDerWaalsContact C-N 3.33Å; K935-L937 PolarHBondContact O-N 3.35Å; L937-C940 WeakPolarHBondContact O-CB 3.43Å; L937-C940 PolarHBondContact O-N 2.99Å
938L81.5Confident71.3Confident2 Ų260 Ų601%0.0129%0.285CS..Hα-helixtrans-74.7-30.3-177.1-74173.4000115W800 L934 K935 C940 L971 K977 L981W800-L938 HydrophobicContact CH2-CD1 4.1Å; W800-L938 HydrophobicContact CH2-CD2 4.23Å; W800-L938 HydrophobicContact CH2-CG 4.16Å; W800-L938 HydrophobicContact CZ2-CD1 4.47Å; W800-L938 HydrophobicContact CZ2-CD2 3.97Å; W800-L938 HydrophobicContact CZ2-CG 4.02Å; L934-L938 WeakPolarHBondContact O-CB 3.46Å; L934-L938 WeakPolarHBondContact O-CG 3.49Å; L934-L938 PolarHBondContact O-N 3.18Å; K935-L938 PolarHBondContact O-N 2.92Å; K935-L938 VanDerWaalsContact O-N 3.17Å; L938-C940 VanDerWaalsContact C-N 3.34Å; L938-L971 HydrophobicContact CD2-CB 4.17Å; L938-L971 HydrophobicContact CD2-CD1 4.04Å; L938-L971 HydrophobicContact CD2-CD2 3.55Å; L938-L971 HydrophobicContact CD2-CG 4.11Å; L938-K977 VanDerWaalsContact CB-CE 3.47Å; L938-K977 HydrophobicContact CD1-CG 3.94Å; L938-K977 PolarHBondContact O-NZ 3.07Å; L938-L981 HydrophobicContact CD1-CD1 3.92Å; L938-L981 HydrophobicContact CD1-CD2 4.02Å; L938-L981 HydrophobicContact CD1-CG 4.09Å
939E75.4Confident68.6Low86 Ų8659.7 Ų59.740%0.40230%0.297SS..Hα-helixtrans-74.2-25.4174.2-74.5173.4167.900112.4K935 E941 S942 Q943K935-E939 WeakPolarHBondContact CE-OE1 3.33Å; K935-E939 HydrophobicContact CG-CG 4.32Å; K935-E939 IonicContact NZ-OE1 3.13Å; K935-E939 WeakPolarHBondContact O-CG 3.42Å; K935-E939 PolarHBondContact O-N 3.4Å; E939-E941 PolarHBondContact O-N 2.92Å; E939-S942 PolarHBondContact O-N 3.12Å; E939-S942 PolarHBondContact O-OG 2.83Å; E939-S942 VanDerWaalsContact O-OG 3.07Å; E939-Q943 PolarHBondContact O-N 2.92Å; E939-Q943 VanDerWaalsContact O-N 3.16Å
940C65.7Low65.7Low36 Ų3668.4 Ų68.424%0.24333%0.33CS..Hα-helixtrans-66.3-21.8176.3-163.90000112.1Y820 S936 L937 L938Y820-C940 HydrophobicContact CD2-CB 3.99Å; Y820-C940 HydrophobicContact CE2-CB 3.84Å; S936-C940 PolarHBondContact O-N 3.08Å; L937-C940 WeakPolarHBondContact O-CB 3.43Å; L937-C940 PolarHBondContact O-N 2.99Å; L938-C940 VanDerWaalsContact C-N 3.34Å
941E57.8Low63Low25 Ų2572.1 Ų72.112%0.11736%0.356CS..Hα-helixtrans-80.9-45.8175.7-162.4166.5-151.800111.6E939 Q943 L944 Y965E939-E941 PolarHBondContact O-N 2.92Å; E941-Q943 VanDerWaalsContact C-N 3.32Å; E941-Q943 PolarHBondContact O-N 3.42Å; E941-L944 WeakPolarHBondContact O-CB 3.44Å; E941-L944 PolarHBondContact O-N 2.87Å; E941-Y965 WeakPolarHBondContact OE1-CD2 3Å
942S53.1Low60.2Low53 Ų5372.6 Ų72.637%0.37138%0.377SS..Hα-helixtrans-67.7-28.8179.960.80000113.3E939 L944 E945 Y946E939-S942 PolarHBondContact O-N 3.12Å; E939-S942 PolarHBondContact O-OG 2.83Å; E939-S942 VanDerWaalsContact O-OG 3.07Å; S942-L944 PolarHBondContact O-N 3.19Å; S942-E945 WeakPolarHBondContact O-CB 2.89Å; S942-E945 PolarHBondContact O-N 3.21Å; S942-E945 VanDerWaalsContact O-N 3.08Å; S942-Y946 PolarHBondContact O-N 2.88Å
943Q48Very low57.8Low121 Ų12175 Ų7557%0.56539%0.391SS*.Hα-helixtrans-63.4-26.2172.1-78-173.8-12.300112.9E939 E941 E945 D947E939-Q943 PolarHBondContact O-N 2.92Å; E939-Q943 VanDerWaalsContact O-N 3.16Å; E941-Q943 VanDerWaalsContact C-N 3.32Å; E941-Q943 PolarHBondContact O-N 3.42Å; Q943-E945 VanDerWaalsContact C-N 3.26Å; Q943-E945 PolarHBondContact O-N 3.35Å; Q943-D947 PolarHBondContact O-N 3.15Å
944L45.6Very low54.9Low60 Ų6082.5 Ų82.531%0.31442%0.424SS..Hα-helixtrans-63.9-37.9173.5-150.780.7000110.2E941 S942 I948 R962E941-L944 WeakPolarHBondContact O-CB 3.44Å; E941-L944 PolarHBondContact O-N 2.87Å; S942-L944 PolarHBondContact O-N 3.19Å; L944-I948 HydrophobicContact CD2-CD1 4.28Å; L944-I948 HydrophobicContact CG-CD1 4.11Å; L944-I948 WeakPolarHBondContact O-CB 3.41Å; L944-I948 WeakPolarHBondContact O-CD1 3.3Å; L944-I948 WeakPolarHBondContact O-CG1 3.3Å; L944-I948 PolarHBondContact O-N 3.48Å; L944-R962 HydrophobicContact CD2-CB 3.95Å
945E40.2Very low51.9Low118 Ų11885.8 Ų85.855%0.55146%0.458SS*.Hα-helixtrans-70.5-33.4-177-152171.7-157.200113S942 Q943 I948 A949S942-E945 WeakPolarHBondContact O-CB 2.89Å; S942-E945 PolarHBondContact O-N 3.21Å; S942-E945 VanDerWaalsContact O-N 3.08Å; Q943-E945 VanDerWaalsContact C-N 3.26Å; Q943-E945 PolarHBondContact O-N 3.35Å; E945-I948 WeakPolarHBondContact O-CB 3.39Å; E945-I948 PolarHBondContact O-N 3.37Å; E945-A949 PolarHBondContact O-N 3.07Å
946Y40Very low49Very low182 Ų18289.2 Ų89.271%0.71448%0.479SS*.Hα-helixtrans-73.5-37.4177.8-141.4-87.1000112.7S942 I948 A949 Y950S942-Y946 PolarHBondContact O-N 2.88Å; Y946-I948 PolarHBondContact O-N 2.95Å; Y946-A949 PolarHBondContact O-N 3.47Å; Y946-Y950 PolarHBondContact O-N 3.36Å
947D38.9Very low46.7Very low124 Ų12492.8 Ų92.866%0.66350%0.504SS*.Hα-helixtrans-66.6-29.9170.4-77.4-17000111Q943 C951Q943-D947 PolarHBondContact O-N 3.15Å; D947-C951 WeakPolarHBondContact O-CB 3.46Å; D947-C951 PolarHBondContact O-N 3.03Å
948I37.1Very low44.3Very low51 Ų51100.7 Ų100.726%0.26254%0.541SS..Hα-helixtrans-71.5-42.8175.2-70.2162000111.8L944 E945 Y946 Y950 C951 G952L944-I948 HydrophobicContact CD2-CD1 4.28Å; L944-I948 HydrophobicContact CG-CD1 4.11Å; L944-I948 WeakPolarHBondContact O-CB 3.41Å; L944-I948 WeakPolarHBondContact O-CD1 3.3Å; L944-I948 WeakPolarHBondContact O-CG1 3.3Å; L944-I948 PolarHBondContact O-N 3.48Å; E945-I948 WeakPolarHBondContact O-CB 3.39Å; E945-I948 PolarHBondContact O-N 3.37Å; Y946-I948 PolarHBondContact O-N 2.95Å; I948-Y950 VanDerWaalsContact C-N 3.33Å; I948-Y950 PolarHBondContact O-N 2.81Å; I948-C951 PolarHBondContact O-N 3.04Å; I948-G952 PolarHBondContact O-N 3.49Å
949A37.3Very low42.1Very low76 Ų76102.5 Ų102.563%0.62855%0.554SS**Hα-helixtrans-66.1-34.9-179.900000112.4E945 Y946 G952E945-A949 PolarHBondContact O-N 3.07Å; Y946-A949 PolarHBondContact O-N 3.47Å; A949-G952 PolarHBondContact O-N 2.81Å
950Y34.2Very low40.1Very low200 Ų200105 Ų10578%0.78456%0.564SS**Hα-helixtrans-77.2-29.8176.4-140.4-92.1000112.7Y946 I948 G952Y946-Y950 PolarHBondContact O-N 3.36Å; I948-Y950 VanDerWaalsContact C-N 3.33Å; I948-Y950 PolarHBondContact O-N 2.81Å; Y950-G952 VanDerWaalsContact C-N 3.29Å
951C37.8Very low38.9Very low80 Ų80106.4 Ų106.454%0.54157%0.574SS.*Hα-helixtrans-76.8-12.3171.4-84.90000113.9D947 I948 F953 F954D947-C951 WeakPolarHBondContact O-CB 3.46Å; D947-C951 PolarHBondContact O-N 3.03Å; I948-C951 PolarHBondContact O-N 3.04Å; C951-F953 PolarHBondContact O-N 3.17Å; C951-F953 VanDerWaalsContact O-N 3.08Å; C951-F954 CarbonylContact O-C 3.52Å; C951-F954 PolarHBondContact O-N 3.34Å
952G34.8Very low38.3Very low63 Ų63113.9 Ų113.965%0.64960%0.601SS**THydrogen-bonded Turntrans-58.6-19.5177.200000114.7I948 A949 Y950 F954I948-G952 PolarHBondContact O-N 3.49Å; A949-G952 PolarHBondContact O-N 2.81Å; Y950-G952 VanDerWaalsContact C-N 3.29Å; G952-F954 VanDerWaalsContact C-N 3.34Å
953F40.6Very low38.5Very low183 Ų183112.9 Ų112.980%0.80359%0.594SS**THydrogen-bonded Turntrans-79.8-15.1173.1-154.5-96.6000113.5C951C951-F953 PolarHBondContact O-N 3.17Å; C951-F953 VanDerWaalsContact O-N 3.08Å
954F32Very low39.1Very low160 Ų160109.3 Ų109.370%0.70258%0.578SS**SBendtrans-127.159.2-178.9-70.5-79.4000111.9C951 G952 L956C951-F954 CarbonylContact O-C 3.52Å; C951-F954 PolarHBondContact O-N 3.34Å; G952-F954 VanDerWaalsContact C-N 3.34Å; F954-L956 VanDerWaalsContact C-N 3.35Å; F954-L956 PolarHBondContact O-N 3.46Å
955G29.8Very low40.1Very low70 Ų70106.6 Ų106.672%0.72256%0.563SS**  trans3339.914300000121.8
956L29.3Very low41Very low148 Ų148102 Ų10278%0.77554%0.543SS*.  trans-118.6101.2171.3-70.2172.3000110.4F954 E958 S959F954-L956 VanDerWaalsContact C-N 3.35Å; F954-L956 PolarHBondContact O-N 3.46Å; L956-E958 VanDerWaalsContact C-N 3.29Å; L956-E958 PolarHBondContact O-N 3.35Å; L956-S959 PolarHBondContact O-OG 2.92Å
957S37.6Very low41.9Very low110 Ų11097 Ų9777%0.76953%0.532SS*.G310 helixtrans-76.4-0.4-171.282.60000116.1S959S957-S959 PolarHBondContact O-N 3.08Å
958E34.1Very low43Very low166 Ų16693.9 Ų93.978%0.77651%0.511SS*.G310 helixtrans-69.11.4176.5-100-174.2176.300114.1L956 S961L956-E958 VanDerWaalsContact C-N 3.29Å; L956-E958 PolarHBondContact O-N 3.35Å; E958-S961 PolarHBondContact O-OG 3.28Å
959S33.7Very low44.6Very low41 Ų4191.4 Ų91.429%0.28750%0.499SS..G310 helixtrans-94-28.8-17147.40000114.2L956 S957 S961 R962L956-S959 PolarHBondContact O-OG 2.92Å; S957-S959 PolarHBondContact O-N 3.08Å; S959-S961 VanDerWaalsContact C-N 3.25Å; S959-S961 PolarHBondContact O-N 2.83Å; S959-R962 PolarHBondContact O-N 2.81Å
960F34.9Very low46.4Very low139 Ų13987.9 Ų87.961%0.6147%0.469SS*.G310 helixtrans-71.4-21.4176.3-153-100.2000112.5R962F960-R962 PolarHBondContact O-N 2.72Å
961S39.4Very low48.1Very low64 Ų6478.4 Ų78.445%0.44843%0.432SS..G310 helixtrans-70.4-7178.368.40000114.5E958 S959E958-S961 PolarHBondContact O-OG 3.28Å; S959-S961 VanDerWaalsContact C-N 3.25Å; S959-S961 PolarHBondContact O-N 2.83Å
962R45.3Very low49.7Very low183 Ų18377.4 Ų77.469%0.69142%0.421SS*.G310 helixtrans-93.7-5.1-176.7-74.1-173.4177.5173.92.7115.3L944 S959 F960 M964L944-R962 HydrophobicContact CD2-CB 3.95Å; S959-R962 PolarHBondContact O-N 2.81Å; F960-R962 PolarHBondContact O-N 2.72Å; R962-M964 PolarHBondContact O-N 3.47Å
963S56.8Low51.5Low31 Ų3177.3 Ų77.322%0.21740%0.403CS..  trans-68.9126171.8-177.20000110.2Y965S963-Y965 PolarHBondContact O-N 3.35Å; S963-Y965 PolarHBondContact OG-N 3.37Å; S963-Y965 PolarHBondContact OG-O 3.1Å
964M61.7Low53.2Low47 Ų4773.8 Ų73.823%0.23239%0.392CS..SBendtrans-73.1-13.7173-89.1-162.5-84.200112.7R805 Y816 E819 R962R805-M964 PolarHBondContact N-O 3.12Å; Y816-M964 HydrophobicContact CD2-CE 3.25Å; Y816-M964 HydrophobicContact CD2-SD 4.09Å; Y816-M964 HydrophobicContact CE2-CE 3.27Å; Y816-M964 HydrophobicContact CE2-SD 4.46Å; Y816-M964 HydrophobicContact CG-CE 4.11Å; E819-M964 VanDerWaalsContact OE2-SD 3.41Å; R962-M964 PolarHBondContact O-N 3.47Å
965Y65.7Low55.5Low3 Ų373 Ų731%0.01239%0.391CS..BIsolated β-bridgetrans-125.2144.8-171.6-70-89.5000111.4W800 G803 Y816 E941 S963 A969 L971W800-Y965 WeakPolarHBondContact O-CE1 3.37Å; W800-Y965 PolarHBondContact O-OH 2.84Å; G803-Y965 CarbonylContact O-C 3.55Å; G803-Y965 WeakPolarHBondContact O-CA 3.44Å; Y816-Y965 AromaticContact CD2-CE2 3.86Å; Y816-Y965 HydrophobicContact CD2-CE2 3.86Å; Y816-Y965 AromaticContact CE2-CE2 3.74Å; Y816-Y965 HydrophobicContact CE2-CE2 3.74Å; E941-Y965 WeakPolarHBondContact OE1-CD2 3Å; S963-Y965 PolarHBondContact O-N 3.35Å; S963-Y965 PolarHBondContact OG-N 3.37Å; S963-Y965 PolarHBondContact OG-O 3.1Å; Y965-A969 HydrophobicContact CD1-CB 3.84Å; Y965-A969 HydrophobicContact CG-CB 4.22Å; Y965-L971 HydrophobicContact CD1-CD1 4.21Å; Y965-L971 HydrophobicContact CD2-CD1 4.16Å; Y965-L971 HydrophobicContact CE1-CD1 3.74Å; Y965-L971 HydrophobicContact CE1-CG 4.38Å; Y965-L971 HydrophobicContact CE2-CD1 3.67Å; Y965-L971 HydrophobicContact CG-CD1 4.4Å; Y965-L971 VanDerWaalsContact CZ-CD1 3.44Å
966D60.6Low57.9Low22 Ų2271.4 Ų71.412%0.11837%0.365CS..  trans-67.6152.9171.3-75.4-36000111.2G803 R805 Y968 A969 M972G803-D966 PolarHBondContact O-N 3.47Å; R805-D966 WeakPolarHBondContact CG-OD1 3.19Å; R805-D966 IonicContact CZ-OD1 3.59Å; R805-D966 IonicContact NE-OD1 3.98Å; R805-D966 PolarHBondContact NE-OD1 2.75Å; R805-D966 IonicContact NH2-OD1 2.63Å; D966-Y968 HydrophobicContact CB-CD1 3.76Å; D966-Y968 HydrophobicContact CB-CD2 4.38Å; D966-Y968 HydrophobicContact CB-CE1 3.33Å; D966-Y968 HydrophobicContact CB-CE2 4.02Å; D966-Y968 HydrophobicContact CB-CG 4.26Å; D966-Y968 VanDerWaalsContact CB-CZ 3.46Å; D966-Y968 PolarHBondContact O-N 3.06Å; D966-Y968 PolarHBondContact OD2-OH 3.24Å; D966-A969 WeakPolarHBondContact O-CB 3.21Å; D966-A969 PolarHBondContact O-N 2.9Å; D966-M972 VanDerWaalsContact O-CG 3.26Å; D966-M972 WeakPolarHBondContact O-CG 3.28Å
967P58.4Low60.4Low75 Ų7565.4 Ų65.449%0.48733%0.332SS..THydrogen-bonded Turntrans-56.3-21.6-179.3-25.333.8000114.6M972P967-M972 WeakPolarHBondContact O-CB 3.32Å
968Y61.8Low62.7Low59 Ų5965.7 Ų65.723%0.23132%0.322CS..THydrogen-bonded Turntrans-97.95.1179.159.5-96.3000113.6D966D966-Y968 HydrophobicContact CB-CD1 3.76Å; D966-Y968 HydrophobicContact CB-CD2 4.38Å; D966-Y968 HydrophobicContact CB-CE1 3.33Å; D966-Y968 HydrophobicContact CB-CE2 4.02Å; D966-Y968 HydrophobicContact CB-CG 4.26Å; D966-Y968 VanDerWaalsContact CB-CZ 3.46Å; D966-Y968 PolarHBondContact O-N 3.06Å; D966-Y968 PolarHBondContact OD2-OH 3.24Å
969A70.7Confident65.2Low0 Ų062.1 Ų62.10%031%0.305CS..SBendtrans-63.8152.5176.600000110.8H802 Y965 D966 L971 M972 H973H802-A969 VanDerWaalsContact O-CB 3.32Å; H802-A969 WeakPolarHBondContact O-CB 3.25Å; Y965-A969 HydrophobicContact CD1-CB 3.84Å; Y965-A969 HydrophobicContact CG-CB 4.22Å; D966-A969 WeakPolarHBondContact O-CB 3.21Å; D966-A969 PolarHBondContact O-N 2.9Å; A969-L971 PolarHBondContact O-N 3.21Å; A969-L971 VanDerWaalsContact O-N 3.13Å; A969-M972 HydrophobicContact CB-CG 4.11Å; A969-M972 WeakPolarHBondContact O-CB 3.32Å; A969-M972 PolarHBondContact O-N 3.1Å; A969-H973 PolarHBondContact O-CD2 2.78Å
970F75.5Confident67.8Low1 Ų160.2 Ų60.20%0.00429%0.292CS..G310 helixtrans-55.2-37.7179179.8-73.8000110.9V747 L750 V751 I799 H802 M972 H973 F980V747-F970 HydrophobicContact CG1-CD2 3.8Å; V747-F970 HydrophobicContact CG1-CE2 4.32Å; V747-F970 HydrophobicContact CG1-CG 4.41Å; L750-F970 HydrophobicContact CB-CD2 3.91Å; L750-F970 HydrophobicContact CB-CE2 3.98Å; L750-F970 HydrophobicContact CD1-CD2 4.24Å; V751-F970 HydrophobicContact CB-CE2 4.39Å; V751-F970 HydrophobicContact CG2-CD2 4.43Å; V751-F970 HydrophobicContact CG2-CE2 3.37Å; V751-F970 HydrophobicContact CG2-CZ 3.75Å; I799-F970 HydrophobicContact CD1-CE1 4.47Å; I799-F970 HydrophobicContact CD1-CZ 4.25Å; I799-F970 HydrophobicContact CG1-CD2 4.49Å; I799-F970 HydrophobicContact CG1-CE2 4.41Å; I799-F970 HydrophobicContact CG1-CZ 4.48Å; I799-F970 HydrophobicContact CG2-CB 4.45Å; I799-F970 HydrophobicContact CG2-CD1 3.46Å; I799-F970 VanDerWaalsContact CG2-CD1 3.46Å; I799-F970 HydrophobicContact CG2-CE1 3.77Å; I799-F970 HydrophobicContact CG2-CG 3.94Å; I799-F970 HydrophobicContact CG2-CZ 4.48Å; H802-F970 HydrophobicContact CB-CB 4.47Å; H802-F970 PolarHBondContact ND1-N 3.38Å; H802-F970 VanDerWaalsContact ND1-N 3.1Å; F970-M972 PolarHBondContact O-N 3.26Å; F970-H973 PolarHBondContact O-N 3.45Å; F970-F980 HydrophobicContact CE1-CB 4.02Å; F970-F980 HydrophobicContact CE1-CD1 4.39Å; F970-F980 HydrophobicContact CE1-CG 4.27Å; F970-F980 HydrophobicContact CZ-CB 3.76Å; F970-F980 HydrophobicContact CZ-CG 4.24Å
971L70.3Confident70.5Confident1 Ų154.3 Ų54.31%0.00527%0.266CS..G310 helixtrans-69.9-14.6-177.1-55.1-171.7000113.8I799 L938 Y965 A969I799-L971 HydrophobicContact CG2-CD2 3.71Å; L938-L971 HydrophobicContact CD2-CB 4.17Å; L938-L971 HydrophobicContact CD2-CD1 4.04Å; L938-L971 HydrophobicContact CD2-CD2 3.55Å; L938-L971 HydrophobicContact CD2-CG 4.11Å; Y965-L971 HydrophobicContact CD1-CD1 4.21Å; Y965-L971 HydrophobicContact CD2-CD1 4.16Å; Y965-L971 HydrophobicContact CE1-CD1 3.74Å; Y965-L971 HydrophobicContact CE1-CG 4.38Å; Y965-L971 HydrophobicContact CE2-CD1 3.67Å; Y965-L971 HydrophobicContact CG-CD1 4.4Å; Y965-L971 VanDerWaalsContact CZ-CD1 3.44Å; A969-L971 PolarHBondContact O-N 3.21Å; A969-L971 VanDerWaalsContact O-N 3.13Å
972M70.3Confident72.9Confident60 Ų6058.3 Ų58.330%0.29627%0.272SS..G310 helixtrans-90.8-12177.1-58.8-54.7-63.300113.2D966 P967 A969 F970D966-M972 VanDerWaalsContact O-CG 3.26Å; D966-M972 WeakPolarHBondContact O-CG 3.28Å; P967-M972 WeakPolarHBondContact O-CB 3.32Å; A969-M972 HydrophobicContact CB-CG 4.11Å; A969-M972 WeakPolarHBondContact O-CB 3.32Å; A969-M972 PolarHBondContact O-N 3.1Å; F970-M972 PolarHBondContact O-N 3.26Å
973H73.2Confident75Confident61 Ų6151.6 Ų51.628%0.28225%0.249SC..  trans-93.897.4179.5-82.4-78.1000110.1V747 A969 F970 E975 E976 K977V747-H973 HydrophobicContact CG1-CB 4.41Å; A969-H973 PolarHBondContact O-CD2 2.78Å; F970-H973 PolarHBondContact O-N 3.45Å; H973-E975 PolarHBondContact O-N 3.27Å; H973-E976 HydrophobicContact CB-CB 4.18Å; H973-E976 WeakPolarHBondContact CB-OE2 3.33Å; H973-E976 PolarHBondContact O-N 3.4Å; H973-K977 WeakPolarHBondContact O-CB 3.34Å; H973-K977 PolarHBondContact O-N 3.05Å
974D76.8Confident76.6Confident108 Ų10850.2 Ų50.258%0.57824%0.239SC*.Hα-helixtrans-59.9-41-170-76.5-33.5000114.2E978D974-E978 WeakPolarHBondContact O-CB 3.48Å; D974-E978 WeakPolarHBondContact O-CG 3.28Å; D974-E978 PolarHBondContact O-N 3.24Å
975E79.6Confident78Confident143 Ų14350.9 Ų50.967%0.66824%0.243SC*.Hα-helixtrans-65-48.8179.4-68.1-171.3179.800111.5H973 K977 E978 Q979H973-E975 PolarHBondContact O-N 3.27Å; E975-K977 VanDerWaalsContact C-N 3.34Å; E975-K977 PolarHBondContact O-N 3.48Å; E975-E978 PolarHBondContact O-N 2.65Å; E975-Q979 WeakPolarHBondContact O-CB 3.36Å; E975-Q979 VanDerWaalsContact O-CG 3.28Å; E975-Q979 WeakPolarHBondContact O-CG 3.41Å; E975-Q979 PolarHBondContact O-N 2.95Å
976E80.6Confident79.2Confident38 Ų3852.7 Ų52.718%0.17826%0.256CS..Hα-helixtrans-66.4-37.1-179.9-70.489.7160.400112.1V747 V751 H973 F980V747-E976 HydrophobicContact CG1-CB 3.99Å; V747-E976 HydrophobicContact CG1-CG 3.87Å; V751-E976 HydrophobicContact CG2-CB 3.59Å; V751-E976 HydrophobicContact CG2-CG 3.77Å; H973-E976 HydrophobicContact CB-CB 4.18Å; H973-E976 WeakPolarHBondContact CB-OE2 3.33Å; H973-E976 PolarHBondContact O-N 3.4Å; E976-F980 WeakPolarHBondContact O-CB 3.3Å; E976-F980 PolarHBondContact O-N 2.98Å
977K81.8Confident80.5Confident21 Ų2151.7 Ų51.79%0.09125%0.251CS..Hα-helixtrans-62.2-47.8172.2176.8-171.4-176.5169.30111.7L938 H973 E975 F980 L981L938-K977 VanDerWaalsContact CB-CE 3.47Å; L938-K977 HydrophobicContact CD1-CG 3.94Å; L938-K977 PolarHBondContact O-NZ 3.07Å; H973-K977 WeakPolarHBondContact O-CB 3.34Å; H973-K977 PolarHBondContact O-N 3.05Å; E975-K977 VanDerWaalsContact C-N 3.34Å; E975-K977 PolarHBondContact O-N 3.48Å; K977-F980 PolarHBondContact O-N 3.05Å; K977-L981 WeakPolarHBondContact O-CG 3.37Å; K977-L981 PolarHBondContact O-N 3.48Å
978E85.3Confident82Confident117 Ų11750 Ų5055%0.54724%0.238SC..Hα-helixtrans-63.2-45.5175.8-78.2-162.416500111.7D974 E975 F980 L981 Y982D974-E978 WeakPolarHBondContact O-CB 3.48Å; D974-E978 WeakPolarHBondContact O-CG 3.28Å; D974-E978 PolarHBondContact O-N 3.24Å; E975-E978 PolarHBondContact O-N 2.65Å; E978-F980 VanDerWaalsContact C-N 3.34Å; E978-F980 PolarHBondContact O-N 3.44Å; E978-L981 WeakPolarHBondContact O-CB 3.41Å; E978-L981 PolarHBondContact O-N 3.13Å; E978-L981 VanDerWaalsContact O-N 3.14Å; E978-Y982 HydrophobicContact CB-CE2 4.49Å; E978-Y982 WeakPolarHBondContact O-CD2 3.37Å; E978-Y982 PolarHBondContact O-N 3.18Å
979Q86.1Confident83.1Confident91 Ų9150.5 Ų50.543%0.42525%0.254SS..Hα-helixtrans-57.2-46.3176.8-74.4177.924.200112V751 E975 L981 Y982 H983V751-Q979 HydrophobicContact CG1-CB 4.42Å; E975-Q979 WeakPolarHBondContact O-CB 3.36Å; E975-Q979 VanDerWaalsContact O-CG 3.28Å; E975-Q979 WeakPolarHBondContact O-CG 3.41Å; E975-Q979 PolarHBondContact O-N 2.95Å; Q979-L981 PolarHBondContact O-N 2.83Å; Q979-Y982 PolarHBondContact O-N 2.78Å; Q979-H983 PolarHBondContact O-CD2 3.29Å; Q979-H983 PolarHBondContact O-N 3.02Å
980F89.5Confident83.6Confident1 Ų150.5 Ų50.50%0.00425%0.254CS..Hα-helixtrans-58.9-45.9174.7164.5-106.7000112.1A754 I796 I799 W800 L934 F970 E976 K977 E978 Y982 H983 V984A754-F980 HydrophobicContact CB-CD2 3.76Å; A754-F980 HydrophobicContact CB-CE2 4.2Å; I796-F980 HydrophobicContact CG1-CE2 4.47Å; I796-F980 HydrophobicContact CG1-CZ 4.12Å; I799-F980 HydrophobicContact CD1-CD2 3.56Å; I799-F980 HydrophobicContact CD1-CE1 4.42Å; I799-F980 HydrophobicContact CD1-CE2 3.42Å; I799-F980 VanDerWaalsContact CD1-CE2 3.42Å; I799-F980 HydrophobicContact CD1-CG 4.12Å; I799-F980 HydrophobicContact CD1-CZ 3.89Å; W800-F980 HydrophobicContact CH2-CE1 4.23Å; W800-F980 AromaticContact CZ3-CE1 3.81Å; W800-F980 HydrophobicContact CZ3-CE1 3.81Å; W800-F980 HydrophobicContact CZ3-CZ 4.18Å; L934-F980 HydrophobicContact CD1-CE1 4.04Å; L934-F980 HydrophobicContact CD1-CZ 4.01Å; F970-F980 HydrophobicContact CE1-CB 4.02Å; F970-F980 HydrophobicContact CE1-CD1 4.39Å; F970-F980 HydrophobicContact CE1-CG 4.27Å; F970-F980 HydrophobicContact CZ-CB 3.76Å; F970-F980 HydrophobicContact CZ-CG 4.24Å; E976-F980 WeakPolarHBondContact O-CB 3.3Å; E976-F980 PolarHBondContact O-N 2.98Å; K977-F980 PolarHBondContact O-N 3.05Å; E978-F980 VanDerWaalsContact C-N 3.34Å; E978-F980 PolarHBondContact O-N 3.44Å; F980-Y982 PolarHBondContact O-N 2.99Å; F980-H983 WeakPolarHBondContact O-CB 3.38Å; F980-H983 PolarHBondContact O-N 3.45Å; F980-V984 HydrophobicContact CD2-CG2 4.27Å; F980-V984 HydrophobicContact CE1-CG2 4.26Å; F980-V984 HydrophobicContact CE2-CG2 3.72Å; F980-V984 HydrophobicContact CZ-CG2 3.72Å; F980-V984 WeakPolarHBondContact O-CG2 3.22Å; F980-V984 PolarHBondContact O-N 3.33Å
981L90.5Very high83.9Confident14 Ų1454.3 Ų54.37%0.07327%0.272CS..Hα-helixtrans-61.7-40.8177-75.7176000112.2Y931 L934 K935 L938 K977 E978 Q979 H983 V984 L985Y931-L981 HydrophobicContact CD2-CB 4.13Å; Y931-L981 HydrophobicContact CD2-CD2 4.27Å; Y931-L981 VanDerWaalsContact CD2-O 3.27Å; Y931-L981 WeakPolarHBondContact CD2-O 3.37Å; Y931-L981 HydrophobicContact CE2-CB 3.9Å; L934-L981 HydrophobicContact CB-CD2 3.91Å; K935-L981 HydrophobicContact CB-CD1 4.26Å; K935-L981 HydrophobicContact CB-CD2 4.34Å; K935-L981 HydrophobicContact CG-CD1 4.44Å; L938-L981 HydrophobicContact CD1-CD1 3.92Å; L938-L981 HydrophobicContact CD1-CD2 4.02Å; L938-L981 HydrophobicContact CD1-CG 4.09Å; K977-L981 WeakPolarHBondContact O-CG 3.37Å; K977-L981 PolarHBondContact O-N 3.48Å; E978-L981 WeakPolarHBondContact O-CB 3.41Å; E978-L981 PolarHBondContact O-N 3.13Å; E978-L981 VanDerWaalsContact O-N 3.14Å; Q979-L981 PolarHBondContact O-N 2.83Å; L981-H983 VanDerWaalsContact C-N 3.32Å; L981-H983 PolarHBondContact O-N 2.93Å; L981-V984 PolarHBondContact O-N 2.74Å; L981-L985 WeakPolarHBondContact O-CB 3.49Å; L981-L985 PolarHBondContact O-N 3.37Å
982Y89.8Confident84.7Confident148 Ų14854.4 Ų54.458%0.5827%0.273SS*.Hα-helixtrans-60.7-40.3173.8-84.3-69000112.4E978 Q979 F980 L985 S986E978-Y982 HydrophobicContact CB-CE2 4.49Å; E978-Y982 WeakPolarHBondContact O-CD2 3.37Å; E978-Y982 PolarHBondContact O-N 3.18Å; Q979-Y982 PolarHBondContact O-N 2.78Å; F980-Y982 PolarHBondContact O-N 2.99Å; Y982-L985 PolarHBondContact O-N 3.28Å; Y982-S986 PolarHBondContact O-N 3.42Å; Y982-S986 VanDerWaalsContact O-N 3.12Å
983H89.2Confident85.5Confident43 Ų4354 Ų5420%0.19927%0.268CS..Hα-helixtrans-62.3-47.8174.1-69.6-42.6000111.3Q755 T758 Q979 F980 L981 L985 S986Q755-H983 WeakPolarHBondContact CG-NE2 3.44Å; T758-H983 HydrophobicContact CG2-CB 4.19Å; T758-H983 WeakPolarHBondContact CG2-O 3.21Å; Q979-H983 PolarHBondContact O-CD2 3.29Å; Q979-H983 PolarHBondContact O-N 3.02Å; F980-H983 WeakPolarHBondContact O-CB 3.38Å; F980-H983 PolarHBondContact O-N 3.45Å; L981-H983 VanDerWaalsContact C-N 3.32Å; L981-H983 PolarHBondContact O-N 2.93Å; H983-L985 VanDerWaalsContact C-N 3.3Å; H983-L985 PolarHBondContact O-N 2.72Å; H983-S986 WeakPolarHBondContact O-CB 3.36Å; H983-S986 PolarHBondContact O-N 3.33Å; H983-S986 VanDerWaalsContact O-N 3.13Å; H983-S986 PolarHBondContact O-OG 2.93Å
984V91.2Very high86.2Confident1 Ų151.1 Ų51.11%0.00626%0.255CS..Hα-helixtrans-60.1-40.3176.6176.60000111.8L930 L934 F980 L981 S986 L987L930-V984 HydrophobicContact CB-CG1 4.25Å; L930-V984 HydrophobicContact CD2-CG1 3.83Å; L930-V984 HydrophobicContact CG-CG1 3.77Å; L934-V984 HydrophobicContact CD1-CG1 4.24Å; L934-V984 HydrophobicContact CD1-CG2 4.26Å; F980-V984 HydrophobicContact CD2-CG2 4.27Å; F980-V984 HydrophobicContact CE1-CG2 4.26Å; F980-V984 HydrophobicContact CE2-CG2 3.72Å; F980-V984 HydrophobicContact CZ-CG2 3.72Å; F980-V984 WeakPolarHBondContact O-CG2 3.22Å; F980-V984 PolarHBondContact O-N 3.33Å; L981-V984 PolarHBondContact O-N 2.74Å; V984-S986 VanDerWaalsContact C-N 3.27Å; V984-S986 PolarHBondContact O-N 3.12Å; V984-L987 WeakPolarHBondContact O-CB 3.46Å; V984-L987 PolarHBondContact O-N 3.01Å
985L91.3Very high86.9Confident62 Ų6246 Ų4633%0.32523%0.227SC..Hα-helixtrans-59.7-37176.9-178.961.7000112.3Y931 L981 Y982 H983 L987 N988Y931-L985 HydrophobicContact CD1-CD1 3.79Å; Y931-L985 HydrophobicContact CD2-CB 3.7Å; Y931-L985 HydrophobicContact CD2-CD1 4.36Å; Y931-L985 HydrophobicContact CD2-CG 4.45Å; Y931-L985 HydrophobicContact CE1-CD1 4.26Å; Y931-L985 HydrophobicContact CE2-CB 4.15Å; Y931-L985 HydrophobicContact CE2-CD2 4.41Å; Y931-L985 HydrophobicContact CG-CB 3.95Å; Y931-L985 HydrophobicContact CG-CD1 3.84Å; Y931-L985 HydrophobicContact CG-CG 4.41Å; L981-L985 WeakPolarHBondContact O-CB 3.49Å; L981-L985 PolarHBondContact O-N 3.37Å; Y982-L985 PolarHBondContact O-N 3.28Å; H983-L985 VanDerWaalsContact C-N 3.3Å; H983-L985 PolarHBondContact O-N 2.72Å; L985-L987 PolarHBondContact O-N 3.13Å; L985-L987 VanDerWaalsContact O-N 3.15Å; L985-N988 WeakPolarHBondContact O-CB 3.45Å; L985-N988 PolarHBondContact O-N 3.24Å
986S90.1Very high87.2Confident41 Ų4139.3 Ų39.329%0.28720%0.196SC..Hα-helixtrans-59.9-25.2-179.976.40000113.3Y982 H983 V984 N988 A989Y982-S986 PolarHBondContact O-N 3.42Å; Y982-S986 VanDerWaalsContact O-N 3.12Å; H983-S986 WeakPolarHBondContact O-CB 3.36Å; H983-S986 PolarHBondContact O-N 3.33Å; H983-S986 VanDerWaalsContact O-N 3.13Å; H983-S986 PolarHBondContact O-OG 2.93Å; V984-S986 VanDerWaalsContact C-N 3.27Å; V984-S986 PolarHBondContact O-N 3.12Å; S986-N988 PolarHBondContact O-N 3.3Å; S986-A989 WeakPolarHBondContact O-CB 3.29Å; S986-A989 PolarHBondContact O-N 3.43Å
987L89.5Confident87.4Confident1 Ų140 Ų401%0.00521%0.205CC..G310 helixtrans-64.6-25.4175.6-64.8175.3000112.7T758 L761 L762 L792 L925 V984 L985 A989 A990 F992T758-L987 HydrophobicContact CG2-CD1 3.81Å; T758-L987 HydrophobicContact CG2-CD2 3.66Å; T758-L987 HydrophobicContact CG2-CG 3.52Å; L761-L987 HydrophobicContact CB-CD2 4.37Å; L761-L987 HydrophobicContact CD2-CD1 4.25Å; L761-L987 HydrophobicContact CD2-CD2 3.9Å; L761-L987 HydrophobicContact CG-CD2 4.15Å; L762-L987 HydrophobicContact CB-CD2 4.21Å; L792-L987 HydrophobicContact CD2-CD1 3.66Å; L925-L987 HydrophobicContact CD1-CB 3.96Å; L925-L987 HydrophobicContact CD1-CD1 3.83Å; V984-L987 WeakPolarHBondContact O-CB 3.46Å; V984-L987 PolarHBondContact O-N 3.01Å; L985-L987 PolarHBondContact O-N 3.13Å; L985-L987 VanDerWaalsContact O-N 3.15Å; L987-A989 PolarHBondContact O-N 2.79Å; L987-A990 PolarHBondContact O-N 2.73Å; L987-F992 HydrophobicContact CB-CE2 4.03Å; L987-F992 HydrophobicContact CB-CZ 4.5Å; L987-F992 HydrophobicContact CD2-CE2 4.4Å; L987-F992 HydrophobicContact CD2-CZ 4.03Å; L987-F992 WeakPolarHBondContact O-CE2 3.37Å
988N88.9Confident87.6Confident39 Ų3941.3 Ų41.321%0.20922%0.215CC..G310 helixtrans-62-15.5178.3-74.9-7.6000113.4K928 L985 S986 A990K928-N988 WeakPolarHBondContact CA-OD1 3.47Å; K928-N988 HydrophobicContact CB-CB 4.48Å; K928-N988 WeakPolarHBondContact CB-OD1 3.37Å; K928-N988 HydrophobicContact CD-CB 4.45Å; K928-N988 WeakPolarHBondContact CE-O 3.16Å; K928-N988 PolarHBondContact NZ-O 3.49Å; K928-N988 PolarHBondContact O-ND2 3.27Å; L985-N988 WeakPolarHBondContact O-CB 3.45Å; L985-N988 PolarHBondContact O-N 3.24Å; S986-N988 PolarHBondContact O-N 3.3Å; N988-A990 VanDerWaalsContact C-N 3.26Å; N988-A990 PolarHBondContact O-N 2.91Å
989A84.2Confident87.7Confident70 Ų7036.8 Ų36.858%0.57919%0.193SC*.G310 helixtrans-67.7-23174.600000113.5L762 S986 L987L762-A989 HydrophobicContact CD1-CB 4.3Å; S986-A989 WeakPolarHBondContact O-CB 3.29Å; S986-A989 PolarHBondContact O-N 3.43Å; L987-A989 PolarHBondContact O-N 2.79Å
990A81.9Confident87.7Confident0 Ų035.1 Ų35.10%019%0.188CC..SBendtrans-109.9164.3-179.700000112.6L762 K765 L766 K928 L987 N988 F992L762-A990 HydrophobicContact CD1-CB 3.91Å; K765-A990 HydrophobicContact CB-CB 4.08Å; K765-A990 HydrophobicContact CG-CB 3.59Å; L766-A990 HydrophobicContact CD2-CB 4.31Å; K928-A990 WeakPolarHBondContact CE-O 3.45Å; L987-A990 PolarHBondContact O-N 2.73Å; N988-A990 VanDerWaalsContact C-N 3.26Å; N988-A990 PolarHBondContact O-N 2.91Å; A990-F992 HydrophobicContact CB-CE2 4.03Å; A990-F992 HydrophobicContact CB-CZ 4.1Å
991E82.4Confident87.4Confident80 Ų8040.5 Ų40.537%0.37421%0.213SC..  trans-104.7105.2179.2-70.5-160172.500113.7K765 E769 Y993 R1093K765-E991 WeakPolarHBondContact CE-O 3.28Å; K765-E991 PolarHBondContact NZ-O 3.08Å; E769-E991 PolarHBondContact OE1-N 3.06Å; E991-Y993 HydrophobicContact CB-CE2 4.43Å; E991-Y993 PolarHBondContact OE2-OH 2.81Å; E991-R1093 IonicContact OE2-NH2 3.69Å
992F87.5Confident87.3Confident4 Ų440.5 Ų40.52%0.01821%0.213CC..  trans-88.2142.3178-62.1-79.2000112.2L761 K765 L925 E926 L987 A990 R1093L761-F992 HydrophobicContact CD1-CE1 3.89Å; L761-F992 HydrophobicContact CD2-CE1 4.1Å; L761-F992 HydrophobicContact CD2-CZ 4.23Å; L761-F992 HydrophobicContact CG-CE1 3.86Å; L761-F992 HydrophobicContact CG-CZ 4.08Å; K765-F992 HydrophobicContact CB-CE1 4.35Å; K765-F992 HydrophobicContact CD-CE1 4.39Å; K765-F992 HydrophobicContact CG-CE1 4.11Å; K765-F992 HydrophobicContact CG-CZ 4.36Å; L925-F992 HydrophobicContact CD1-CD2 3.91Å; L925-F992 HydrophobicContact CD1-CE2 4.07Å; L925-F992 HydrophobicContact CD2-CB 4.44Å; L925-F992 HydrophobicContact CD2-CD1 4.27Å; L925-F992 HydrophobicContact CD2-CD2 4.17Å; L925-F992 HydrophobicContact CD2-CG 4Å; L925-F992 HydrophobicContact CG-CB 4.26Å; L925-F992 HydrophobicContact CG-CD2 3.8Å; L925-F992 HydrophobicContact CG-CE2 4.38Å; L925-F992 HydrophobicContact CG-CG 3.99Å; E926-F992 WeakPolarHBondContact CG-O 3.26Å; L987-F992 HydrophobicContact CB-CE2 4.03Å; L987-F992 HydrophobicContact CB-CZ 4.5Å; L987-F992 HydrophobicContact CD2-CE2 4.4Å; L987-F992 HydrophobicContact CD2-CZ 4.03Å; L987-F992 WeakPolarHBondContact O-CE2 3.37Å; A990-F992 HydrophobicContact CB-CE2 4.03Å; A990-F992 HydrophobicContact CB-CZ 4.1Å; F992-R1093 VanDerWaalsContact O-CZ 3.28Å; F992-R1093 PolarHBondContact O-NH1 2.8Å; F992-R1093 PolarHBondContact O-NH2 3.12Å
993Y86.7Confident87.2Confident51 Ų5139.8 Ų39.820%0.221%0.213CC..  trans-116.528.7169.1-66.5-101.3000109.9E926 E991 F995 S997 V1059 R1093E926-Y993 WeakPolarHBondContact OE2-CA 3.28Å; E991-Y993 HydrophobicContact CB-CE2 4.43Å; E991-Y993 PolarHBondContact OE2-OH 2.81Å; Y993-F995 PolarHBondContact O-N 3.4Å; Y993-S997 WeakPolarHBondContact O-CB 3.15Å; Y993-S997 PolarHBondContact O-N 3.47Å; Y993-S997 PolarHBondContact O-OG 2.9Å; Y993-V1059 HydrophobicContact CD1-CG2 3.42Å; Y993-V1059 VanDerWaalsContact CD1-CG2 3.42Å; Y993-V1059 HydrophobicContact CE1-CG1 4.27Å; Y993-V1059 HydrophobicContact CE1-CG2 3.53Å; Y993-V1059 HydrophobicContact CG-CG2 4.32Å; Y993-R1093 PolarHBondContact OH-NH2 3.36Å
994C88.3Confident87.2Confident0 Ų037.8 Ų37.80%020%0.204CC..THydrogen-bonded Turntrans-73.3-24.5-166.656.70000114.2V789 R922 E926 T998V789-C994 HydrophobicContact CG1-CB 4.06Å; V789-C994 HydrophobicContact CG2-CB 4.11Å; R922-C994 HydrophobicContact CG-CB 4.4Å; R922-C994 PolarHBondContact NH1-O 3.14Å; R922-C994 VanDerWaalsContact NH1-O 3.16Å; R922-C994 PolarHBondContact O-SG 3.17Å; R922-C994 VanDerWaalsContact O-SG 3.34Å; E926-C994 PolarHBondContact OE2-N 3.02Å; C994-T998 WeakPolarHBondContact O-CB 3.13Å; C994-T998 PolarHBondContact O-OG1 2.9Å
995F90.3Very high87.2Confident1 Ų139.6 Ų39.60%0.00422%0.215CC..THydrogen-bonded Turntrans-80.7-52.4171.8-176.6-90.7000109.2M907 R922 L923 E926 Y993 S997 T998 F999 V1090 T1091M907-F995 HydrophobicContact CE-CE2 4.19Å; M907-F995 HydrophobicContact CE-CZ 4.23Å; M907-F995 HydrophobicContact SD-CE2 3.93Å; M907-F995 HydrophobicContact SD-CZ 3.95Å; R922-F995 HydrophobicContact CB-CB 4.21Å; R922-F995 HydrophobicContact CB-CD2 4.36Å; L923-F995 HydrophobicContact CB-CD2 3.65Å; L923-F995 HydrophobicContact CB-CE2 3.95Å; L923-F995 HydrophobicContact CB-CG 4.21Å; L923-F995 HydrophobicContact CD1-CD1 4.18Å; L923-F995 HydrophobicContact CD1-CD2 4.27Å; L923-F995 HydrophobicContact CD1-CE1 4.34Å; L923-F995 HydrophobicContact CD1-CE2 4.43Å; L923-F995 HydrophobicContact CD1-CG 4.14Å; L923-F995 HydrophobicContact CD1-CZ 4.47Å; L923-F995 HydrophobicContact CG-CD2 4.48Å; E926-F995 HydrophobicContact CB-CB 4.34Å; E926-F995 WeakPolarHBondContact OE2-CA 3.39Å; E926-F995 VanDerWaalsContact OE2-CB 3.29Å; E926-F995 WeakPolarHBondContact OE2-CB 3.34Å; E926-F995 PolarHBondContact OE2-N 3.2Å; Y993-F995 PolarHBondContact O-N 3.4Å; F995-S997 VanDerWaalsContact C-N 3.27Å; F995-S997 PolarHBondContact O-N 3.49Å; F995-T998 PolarHBondContact O-N 2.63Å; F995-T998 VanDerWaalsContact O-N 3.15Å; F995-F999 AromaticContact CD2-CD2 3.55Å; F995-F999 HydrophobicContact CD2-CD2 3.55Å; F995-F999 AromaticContact CD2-CE2 3.78Å; F995-F999 HydrophobicContact CD2-CE2 3.78Å; F995-F999 AromaticContact CE2-CD2 3.66Å; F995-F999 HydrophobicContact CE2-CD2 3.66Å; F995-F999 HydrophobicContact CE2-CE2 4Å; F995-F999 HydrophobicContact CG-CD2 4.07Å; F995-F999 HydrophobicContact CZ-CD2 4.27Å; F995-F999 PolarHBondContact O-N 2.62Å; F995-F999 VanDerWaalsContact O-N 3.15Å; F995-V1090 HydrophobicContact CE1-CG1 3.8Å; F995-V1090 HydrophobicContact CZ-CG1 4.1Å; F995-T1091 HydrophobicContact CD1-CG2 3.82Å; F995-T1091 HydrophobicContact CE1-CG2 4.46Å
996T86.6Confident87.2Confident3 Ų336.8 Ų36.82%0.01820%0.2CC..THydrogen-bonded Turntrans-60.1-32.1-178.9-68.80000113.4E926 L1035 N1056E926-T996 PolarHBondContact OE1-OG1 2.65Å; E926-T996 PolarHBondContact OE2-N 3.12Å; T996-L1035 WeakPolarHBondContact O-CD1 3.44Å; T996-N1056 PolarHBondContact O-ND2 3.46Å
997S84.1Confident87.3Confident51 Ų5136.1 Ų36.136%0.35719%0.193SC..THydrogen-bonded Turntrans-85.9-14.9179.6600000115.2Y993 F995 N1000Y993-S997 WeakPolarHBondContact O-CB 3.15Å; Y993-S997 PolarHBondContact O-N 3.47Å; Y993-S997 PolarHBondContact O-OG 2.9Å; F995-S997 VanDerWaalsContact C-N 3.27Å; F995-S997 PolarHBondContact O-N 3.49Å; S997-N1000 PolarHBondContact O-OD1 2.88Å; S997-N1000 VanDerWaalsContact O-OD1 3.07Å
998T85.9Confident87.2Confident50 Ų5036.3 Ų36.331%0.30719%0.194SC..THydrogen-bonded Turntrans-102.1-41.3-173.5-600000111.8N786 R922 C994 F995 N1000N786-T998 PolarHBondContact OD1-OG1 3.34Å; R922-T998 PolarHBondContact NH1-OG1 3.16Å; C994-T998 WeakPolarHBondContact O-CB 3.13Å; C994-T998 PolarHBondContact O-OG1 2.9Å; F995-T998 PolarHBondContact O-N 2.63Å; F995-T998 VanDerWaalsContact O-N 3.15Å; T998-N1000 PolarHBondContact O-N 3.17Å
999F88.3Confident87.1Confident21 Ų2135.4 Ų35.49%0.09219%0.188CC..  trans-101.271-173.7-57.3-71.8000111.3M907 I910 A919 R922 F995 Q1001 T1002 N1056M907-F999 HydrophobicContact CE-CB 3.77Å; M907-F999 HydrophobicContact CE-CD1 3.32Å; M907-F999 HydrophobicContact CE-CD2 3.87Å; M907-F999 HydrophobicContact CE-CE1 3.78Å; M907-F999 HydrophobicContact CE-CE2 4.27Å; M907-F999 HydrophobicContact CE-CG 3.37Å; M907-F999 HydrophobicContact CE-CZ 4.23Å; I910-F999 HydrophobicContact CD1-CD1 4.37Å; I910-F999 HydrophobicContact CD1-CE1 3.72Å; I910-F999 HydrophobicContact CD1-CZ 4.16Å; I910-F999 HydrophobicContact CG1-CE1 4.15Å; A919-F999 HydrophobicContact CB-CE1 4.24Å; A919-F999 HydrophobicContact CB-CE2 3.8Å; A919-F999 HydrophobicContact CB-CZ 3.49Å; A919-F999 VanDerWaalsContact CB-CZ 3.49Å; R922-F999 HydrophobicContact CB-CE2 4.43Å; F995-F999 AromaticContact CD2-CD2 3.55Å; F995-F999 HydrophobicContact CD2-CD2 3.55Å; F995-F999 AromaticContact CD2-CE2 3.78Å; F995-F999 HydrophobicContact CD2-CE2 3.78Å; F995-F999 AromaticContact CE2-CD2 3.66Å; F995-F999 HydrophobicContact CE2-CD2 3.66Å; F995-F999 HydrophobicContact CE2-CE2 4Å; F995-F999 HydrophobicContact CG-CD2 4.07Å; F995-F999 HydrophobicContact CZ-CD2 4.27Å; F995-F999 PolarHBondContact O-N 2.62Å; F995-F999 VanDerWaalsContact O-N 3.15Å; F999-Q1001 VanDerWaalsContact C-N 3.27Å; F999-Q1001 PolarHBondContact O-N 3.15Å; F999-T1002 VanDerWaalsContact CB-OG1 3.28Å; F999-T1002 WeakPolarHBondContact CB-OG1 3.03Å; F999-T1002 PolarHBondContact O-N 3.47Å; F999-T1002 PolarHBondContact O-OG1 3.05Å; F999-N1056 PolarHBondContact O-ND2 2.92Å
1000N85.5Confident87.1Confident57 Ų5732.6 Ų32.631%0.30516%0.163SC..THydrogen-bonded Turntrans-73.3-20.4-169.7-55.8-3.8000112.9S997 T998 L1035S997-N1000 PolarHBondContact O-OD1 2.88Å; S997-N1000 VanDerWaalsContact O-OD1 3.07Å; T998-N1000 PolarHBondContact O-N 3.17Å; N1000-L1035 HydrophobicContact CB-CD1 4.16Å
1001Q84.3Confident87Confident114 Ų11434.2 Ų34.253%0.53317%0.173SC..THydrogen-bonded Turntrans-96.2-8.3-179-61.7-61.8-28.300113.1F999 K1003F999-Q1001 VanDerWaalsContact C-N 3.27Å; F999-Q1001 PolarHBondContact O-N 3.15Å; Q1001-K1003 PolarHBondContact O-N 3.46Å
1002T86.7Confident86.7Confident14 Ų1431.8 Ų31.89%0.08616%0.162CC..  trans-64.9135.9-178.9-53.90000110.7M907 F999 N1056M907-T1002 HydrophobicContact CE-CG2 4.46Å; M907-T1002 WeakPolarHBondContact CE-OG1 3.37Å; M907-T1002 HydrophobicContact CG-CG2 3.93Å; F999-T1002 VanDerWaalsContact CB-OG1 3.28Å; F999-T1002 WeakPolarHBondContact CB-OG1 3.03Å; F999-T1002 PolarHBondContact O-N 3.47Å; F999-T1002 PolarHBondContact O-OG1 3.05Å; T1002-N1056 PolarHBondContact O-N 3.3Å
1003K87.9Confident85.9Confident133 Ų13333.9 Ų33.958%0.57818%0.177SC*.EExtended strand (participates in β ladder)trans-78.4122.4175.2-159-174.7-163.5-165.10108.6Q1001 E1053Q1001-K1003 PolarHBondContact O-N 3.46Å; K1003-E1053 HydrophobicContact CD-CB 4.19Å; K1003-E1053 WeakPolarHBondContact CE-OE2 3.38Å; K1003-E1053 HydrophobicContact CG-CB 4.2Å; K1003-E1053 IonicContact NZ-OE2 3.13Å; K1003-E1053 PolarHBondContact NZ-OE2 3.01Å
1004I89.7Confident84.7Confident0 Ų034.6 Ų34.60%020%0.199CC..EExtended strand (participates in β ladder)trans-116.2135-179-64.4-177.3000108.4Y1006 E1053 H1054 N1056 D1088 V1090I1004-Y1006 HydrophobicContact CB-CE2 3.78Å; I1004-Y1006 HydrophobicContact CG2-CD1 4.38Å; I1004-Y1006 HydrophobicContact CG2-CD2 4.19Å; I1004-Y1006 HydrophobicContact CG2-CE1 3.95Å; I1004-Y1006 HydrophobicContact CG2-CE2 3.73Å; I1004-Y1006 HydrophobicContact CG2-CG 4.49Å; I1004-Y1006 WeakPolarHBondContact O-CD2 3.37Å; I1004-E1053 WeakPolarHBondContact O-CA 3.23Å; I1004-H1054 PolarHBondContact N-O 3.14Å; I1004-H1054 PolarHBondContact O-N 3.1Å; I1004-N1056 HydrophobicContact CD1-CB 3.72Å; I1004-N1056 HydrophobicContact CG1-CB 4.33Å; I1004-D1088 HydrophobicContact CG2-CB 4.41Å; I1004-D1088 WeakPolarHBondContact CG2-OD1 3.36Å; I1004-V1090 HydrophobicContact CB-CG2 4.48Å; I1004-V1090 HydrophobicContact CG1-CG2 4.26Å; I1004-V1090 HydrophobicContact CG2-CG2 4.16Å
1005T91.4Very high82.9Confident40 Ų4036.9 Ų36.925%0.24522%0.223CC..EExtended strand (participates in β ladder)trans-86.1121.5170.2-46.70000108.6F1052 E1053 Q1089T1005-F1052 WeakPolarHBondContact CA-O 3.38Å; T1005-E1053 HydrophobicContact CG2-CG 4.17Å; T1005-E1053 PolarHBondContact OG1-OE1 2.87Å; T1005-Q1089 HydrophobicContact CG2-CG 4.3Å; T1005-Q1089 VanDerWaalsContact O-CB 3.3Å; T1005-Q1089 WeakPolarHBondContact O-CB 3.38Å; T1005-Q1089 VanDerWaalsContact O-CG 3.31Å; T1005-Q1089 WeakPolarHBondContact O-CG 3.48Å; T1005-Q1089 PolarHBondContact O-N 3.02Å
1006Y91.6Very high81Confident2 Ų241.8 Ų41.81%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-103.9131.5174.4-61.4-88.8000109.2I1004 T1051 F1052 H1054 L1057 L1060 V1086 R1087 D1088I1004-Y1006 HydrophobicContact CB-CE2 3.78Å; I1004-Y1006 HydrophobicContact CG2-CD1 4.38Å; I1004-Y1006 HydrophobicContact CG2-CD2 4.19Å; I1004-Y1006 HydrophobicContact CG2-CE1 3.95Å; I1004-Y1006 HydrophobicContact CG2-CE2 3.73Å; I1004-Y1006 HydrophobicContact CG2-CG 4.49Å; I1004-Y1006 WeakPolarHBondContact O-CD2 3.37Å; Y1006-T1051 CarbonylContact O-C 3.58Å; Y1006-T1051 WeakPolarHBondContact O-CA 3.43Å; Y1006-F1052 HydrophobicContact CD2-CD2 4.4Å; Y1006-F1052 AromaticContact CD2-CE2 3.77Å; Y1006-F1052 HydrophobicContact CD2-CE2 3.77Å; Y1006-F1052 HydrophobicContact CD2-CZ 4.03Å; Y1006-F1052 HydrophobicContact CG-CE2 4.24Å; Y1006-F1052 HydrophobicContact CG-CZ 4.03Å; Y1006-F1052 PolarHBondContact N-O 3.37Å; Y1006-F1052 PolarHBondContact O-N 2.95Å; Y1006-H1054 HydrophobicContact CD2-CB 4.43Å; Y1006-H1054 HydrophobicContact CE2-CB 4.19Å; Y1006-L1057 HydrophobicContact CD2-CD1 4.43Å; Y1006-L1057 HydrophobicContact CE1-CD1 4.35Å; Y1006-L1057 HydrophobicContact CE2-CD1 3.97Å; Y1006-L1057 HydrophobicContact CE2-CG 4.13Å; Y1006-L1057 PolarHBondContact OH-N 3.32Å; Y1006-L1060 HydrophobicContact CE1-CD2 4.41Å; Y1006-V1086 HydrophobicContact CD1-CG1 4.31Å; Y1006-R1087 CarbonylContact C-O 3.6Å; Y1006-R1087 WeakPolarHBondContact CA-O 3.35Å; Y1006-D1088 HydrophobicContact CD1-CB 4.45Å; Y1006-D1088 HydrophobicContact CE1-CB 4.31Å
1007E90.8Very high79.1Confident28 Ų2852.9 Ų52.913%0.13130%0.299CS..EExtended strand (participates in β ladder)trans-103.4124.2172.2-174.8179.5-175.100109.1L890 T1051 V1086 R1087 Q1089L890-E1007 HydrophobicContact CD2-CG 4.18Å; L890-E1007 VanDerWaalsContact CD2-OE1 3.31Å; L890-E1007 WeakPolarHBondContact CD2-OE1 3.45Å; L890-E1007 WeakPolarHBondContact CD2-OE2 3.24Å; E1007-T1051 HydrophobicContact CB-CG2 3.92Å; E1007-T1051 HydrophobicContact CG-CG2 3.91Å; E1007-V1086 CarbonylContact O-C 3.58Å; E1007-V1086 WeakPolarHBondContact O-CA 3.45Å; E1007-R1087 PolarHBondContact N-O 3.1Å; E1007-R1087 PolarHBondContact O-N 2.95Å; E1007-R1087 IonicContact OE2-CZ 3.52Å; E1007-R1087 IonicContact OE2-NE 3.98Å; E1007-R1087 IonicContact OE2-NH2 3.48Å; E1007-R1087 PolarHBondContact OE2-NH2 3.34Å; E1007-Q1089 HydrophobicContact CB-CG 4.39Å; E1007-Q1089 PolarHBondContact OE2-NE2 2.76Å
1008V88.4Confident77.5Confident4 Ų455.2 Ų55.22%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-110.3129.6178.9-176.10000108.2L1010 S1049 F1050 F1052 I1085 V1086V1008-L1010 HydrophobicContact CG1-CD2 3.99Å; V1008-S1049 CarbonylContact O-C 3.48Å; V1008-S1049 WeakPolarHBondContact O-CA 2.9Å; V1008-F1050 HydrophobicContact CB-CD1 4.2Å; V1008-F1050 HydrophobicContact CB-CD2 4.43Å; V1008-F1050 HydrophobicContact CB-CE1 3.74Å; V1008-F1050 HydrophobicContact CB-CE2 4.01Å; V1008-F1050 HydrophobicContact CB-CZ 3.64Å; V1008-F1050 HydrophobicContact CG1-CE1 3.71Å; V1008-F1050 HydrophobicContact CG1-CZ 3.76Å; V1008-F1050 HydrophobicContact CG2-CE1 4.48Å; V1008-F1050 HydrophobicContact CG2-CE2 3.94Å; V1008-F1050 HydrophobicContact CG2-CZ 3.88Å; V1008-F1050 PolarHBondContact N-O 3.41Å; V1008-F1050 PolarHBondContact O-N 3.18Å; V1008-F1052 HydrophobicContact CG2-CD1 4.14Å; V1008-F1052 HydrophobicContact CG2-CE1 3.65Å; V1008-I1085 CarbonylContact C-O 3.59Å; V1008-I1085 WeakPolarHBondContact CA-O 3.45Å; V1008-V1086 HydrophobicContact CG1-CG2 4.33Å; V1008-V1086 HydrophobicContact CG2-CG1 4.25Å; V1008-V1086 HydrophobicContact CG2-CG2 4.17Å
1009Q86.7Confident75.8Confident21 Ų2158.6 Ų58.610%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-121.6134.7171.7-63-164.3-20.900110.1L890 A1048 A1084 I1085L890-Q1009 HydrophobicContact CD2-CG 3.91Å; L890-Q1009 HydrophobicContact CG-CG 4.36Å; Q1009-A1048 CarbonylContact C-O 3.56Å; Q1009-A1048 WeakPolarHBondContact CA-O 3.35Å; Q1009-A1084 CarbonylContact O-C 3.43Å; Q1009-A1084 WeakPolarHBondContact O-CA 3.26Å; Q1009-I1085 HydrophobicContact CB-CB 4.44Å; Q1009-I1085 PolarHBondContact N-O 3.34Å; Q1009-I1085 PolarHBondContact O-N 3.19Å
1010L83.4Confident74.1Confident10 Ų1058.5 Ų58.55%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-112.6122.7-176.1-55.7174.5000108.9V1008 F1012 I1027 F1029 A1048 F1050 I1065 L1081 A1084V1008-L1010 HydrophobicContact CG1-CD2 3.99Å; L1010-F1012 HydrophobicContact CB-CE2 3.79Å; L1010-F1012 HydrophobicContact CB-CZ 3.96Å; L1010-F1012 HydrophobicContact CD1-CZ 4.21Å; L1010-I1027 HydrophobicContact CD1-CD1 4.45Å; L1010-F1029 HydrophobicContact CD1-CE1 4.22Å; L1010-F1029 HydrophobicContact CD1-CZ 3.57Å; L1010-F1029 HydrophobicContact CD2-CE1 3.71Å; L1010-F1029 HydrophobicContact CD2-CZ 3.95Å; L1010-F1029 HydrophobicContact CG-CZ 4.36Å; L1010-A1048 PolarHBondContact N-O 3.46Å; L1010-F1050 HydrophobicContact CD1-CE1 4.3Å; L1010-I1065 HydrophobicContact CD2-CD1 4.47Å; L1010-L1081 HydrophobicContact CB-CD1 3.82Å; L1010-L1081 HydrophobicContact CD2-CD1 4.3Å; L1010-L1081 HydrophobicContact CD2-CD2 4.42Å; L1010-A1084 HydrophobicContact CD2-CB 3.84Å
1011V80Confident72.5Confident34 Ų3460 Ų6021%0.20633%0.331CS..EExtended strand (participates in β ladder)trans-108.2110.5-179-176.30000109L1081 E1082 H1083V1011-L1081 WeakPolarHBondContact O-CD1 3.4Å; V1011-E1082 WeakPolarHBondContact O-CB 3.49Å; V1011-E1082 PolarHBondContact O-N 2.84Å; V1011-H1083 PolarHBondContact N-O 2.9Å; V1011-H1083 PolarHBondContact O-N 3.29Å
1012F77.4Confident70.6Confident30 Ų3063 Ų6313%0.13235%0.349CS..EExtended strand (participates in β ladder)trans-92.3142.6-179.4-59-86.6000111.4L1010 G1014 I1027 W1079 Y1080 L1081L1010-F1012 HydrophobicContact CB-CE2 3.79Å; L1010-F1012 HydrophobicContact CB-CZ 3.96Å; L1010-F1012 HydrophobicContact CD1-CZ 4.21Å; F1012-G1014 PolarHBondContact O-N 3.28Å; F1012-I1027 HydrophobicContact CZ-CD1 4.48Å; F1012-W1079 HydrophobicContact CD1-CE3 4.38Å; F1012-W1079 AromaticContact CE1-CE3 3.84Å; F1012-W1079 HydrophobicContact CE1-CE3 3.84Å; F1012-W1079 HydrophobicContact CE1-CZ3 4.37Å; F1012-Y1080 VanDerWaalsContact CA-O 3.3Å; F1012-Y1080 WeakPolarHBondContact CA-O 3.33Å; F1012-L1081 HydrophobicContact CD1-CB 4.39Å; F1012-L1081 HydrophobicContact CD1-CD1 4.19Å; F1012-L1081 HydrophobicContact CE1-CB 4.49Å; F1012-L1081 HydrophobicContact CE1-CD1 4.11Å; F1012-L1081 HydrophobicContact CZ-CD1 4.43Å
1013S70.8Confident69.1Low48 Ų4865.2 Ų65.234%0.33638%0.375SS..THydrogen-bonded Turntrans-66.5127178.1-570000110.9F1018 Y1080S1013-F1018 WeakPolarHBondContact O-CD2 3.42Å; S1013-F1018 WeakPolarHBondContact O-CE2 3.49Å; S1013-Y1080 PolarHBondContact N-O 2.89Å
1014G60.7Low67.7Low65 Ų6563.4 Ų63.467%0.6737%0.368SS*.THydrogen-bonded Turntrans110.86.6176.300000116.4F1012F1012-G1014 PolarHBondContact O-N 3.28Å
1015G50.5Low66.2Low49 Ų4963.6 Ų63.651%0.50537%0.369SS..SBendtrans73.9172.7-179.900000112.6R1017G1015-R1017 PolarHBondContact O-N 3.41Å
1016S49.9Very low65.1Low104 Ų10463 Ų6373%0.72737%0.367SS*.THydrogen-bonded Turntrans-55.36.8-168.3-1700000117.4F1018S1016-F1018 VanDerWaalsContact C-N 3.31Å
1017R47.7Very low64.4Low235 Ų23563.4 Ų63.489%0.88737%0.369SS*.THydrogen-bonded Turntrans-76-13.2177.4-63.1-171.3-172.5-175.13.9113.8G1015 I1019G1015-R1017 PolarHBondContact O-N 3.41Å; R1017-I1019 PolarHBondContact O-N 3.45Å; R1017-I1019 VanDerWaalsContact O-N 3.16Å
1018F49.9Very low63.9Low100 Ų10063.2 Ų63.244%0.43937%0.371SS..  trans-87.354.6172.3-71.5-78.1000112.2S1013 S1016 F1020S1013-F1018 WeakPolarHBondContact O-CD2 3.42Å; S1013-F1018 WeakPolarHBondContact O-CE2 3.49Å; S1016-F1018 VanDerWaalsContact C-N 3.31Å; F1018-F1020 PolarHBondContact O-N 3.02Å
1019I49.5Very low63.8Low121 Ų12163.3 Ų63.362%0.62137%0.371SS*.  trans-9094.3161.5-59.6169.5000105.9R1017R1017-I1019 PolarHBondContact O-N 3.45Å; R1017-I1019 VanDerWaalsContact O-N 3.16Å
1020F54.3Low63.9Low19 Ų1963.9 Ų63.98%0.08338%0.375CS..  trans-49.6141.1170.6-52.5-85.4000111.2F1018 L1022 L1025 N1046 I1077 W1079F1018-F1020 PolarHBondContact O-N 3.02Å; F1020-L1022 PolarHBondContact O-N 3.3Å; F1020-L1025 HydrophobicContact CB-CD1 4.06Å; F1020-L1025 HydrophobicContact CD1-CD1 3.35Å; F1020-L1025 HydrophobicContact CD2-CD1 3.32Å; F1020-L1025 HydrophobicContact CE1-CD1 3.49Å; F1020-L1025 VanDerWaalsContact CE1-CD1 3.49Å; F1020-L1025 HydrophobicContact CE2-CD1 3.46Å; F1020-L1025 VanDerWaalsContact CE2-CD1 3.46Å; F1020-L1025 HydrophobicContact CG-CD1 3.29Å; F1020-L1025 HydrophobicContact CG-CG 4.47Å; F1020-L1025 HydrophobicContact CZ-CD1 3.56Å; F1020-N1046 WeakPolarHBondContact CA-ND2 3.48Å; F1020-N1046 WeakPolarHBondContact CB-ND2 3.39Å; F1020-N1046 WeakPolarHBondContact CD2-OD1 3.2Å; F1020-N1046 PolarHBondContact N-ND2 3.36Å; F1020-N1046 PolarHBondContact O-ND2 2.86Å; F1020-I1077 HydrophobicContact CD1-CG2 3.7Å; F1020-I1077 HydrophobicContact CE1-CG2 3.52Å; F1020-W1079 HydrophobicContact CE1-CB 4.18Å; F1020-W1079 HydrophobicContact CE2-CB 4.44Å; F1020-W1079 HydrophobicContact CZ-CB 3.52Å; F1020-W1079 HydrophobicContact CZ-CG 4.5Å
1021P50.5Low64.3Low90 Ų9063.6 Ų63.658%0.58437%0.374SS*.  trans-50.1134.2174.2-22.730.9000110.6G1023P1021-G1023 PolarHBondContact O-N 3.03Å; P1021-G1023 VanDerWaalsContact O-N 3.12Å
1022L45.3Very low64.7Low176 Ų17663.6 Ų63.692%0.92137%0.374SS*.THydrogen-bonded Turntrans-42.1117.6-175.5-115.278.8000111.7F1020F1020-L1022 PolarHBondContact O-N 3.3Å
1023G54.7Low65.3Low61 Ų6162.5 Ų62.563%0.62937%0.372SS*.THydrogen-bonded Turntrans101.72.1163.700000118.5P1021P1021-G1023 PolarHBondContact O-N 3.03Å; P1021-G1023 VanDerWaalsContact O-N 3.12Å
1024Q57.7Low66Low94 Ų9464.1 Ų64.144%0.43938%0.383SS..SBendtrans-96.3-16-174.6-72.6-171.2-27.600116.8S1074 I1077Q1024-S1074 WeakPolarHBondContact O-CB 3.32Å; Q1024-I1077 HydrophobicContact CB-CD1 3.85Å
1025L58.6Low67.1Low4 Ų463.9 Ų63.92%0.02137%0.366CS..  trans-118.2122.9179-81.4165.1000111.3F1020 Q1067 I1077F1020-L1025 HydrophobicContact CB-CD1 4.06Å; F1020-L1025 HydrophobicContact CD1-CD1 3.35Å; F1020-L1025 HydrophobicContact CD2-CD1 3.32Å; F1020-L1025 HydrophobicContact CE1-CD1 3.49Å; F1020-L1025 VanDerWaalsContact CE1-CD1 3.49Å; F1020-L1025 HydrophobicContact CE2-CD1 3.46Å; F1020-L1025 VanDerWaalsContact CE2-CD1 3.46Å; F1020-L1025 HydrophobicContact CG-CD1 3.29Å; F1020-L1025 HydrophobicContact CG-CG 4.47Å; F1020-L1025 HydrophobicContact CZ-CD1 3.56Å; L1025-Q1067 VanDerWaalsContact CD2-CD 3.48Å; L1025-Q1067 HydrophobicContact CD2-CG 4.06Å; L1025-I1077 HydrophobicContact CD1-CG2 3.77Å; L1025-I1077 HydrophobicContact CD2-CB 4.18Å; L1025-I1077 HydrophobicContact CD2-CD1 4.19Å; L1025-I1077 HydrophobicContact CD2-CG2 4.1Å; L1025-I1077 HydrophobicContact CG-CD1 3.93Å; L1025-I1077 HydrophobicContact CG-CG2 4.09Å
1026S68.3Low68.6Low27 Ų2764.9 Ų64.919%0.18936%0.36CS..  trans-108.7108.6165.7-69.30000108.1D1068S1026-D1068 PolarHBondContact O-N 3.38Å
1027I76.4Confident70.5Confident12 Ų1268.7 Ų68.76%0.06236%0.358CS..EExtended strand (participates in β ladder)trans-92138.1177.8-52.6176.3000107.7L1010 F1012 F1029 V1043 I1065 G1066L1010-I1027 HydrophobicContact CD1-CD1 4.45Å; F1012-I1027 HydrophobicContact CZ-CD1 4.48Å; I1027-F1029 HydrophobicContact CB-CE2 3.71Å; I1027-F1029 HydrophobicContact CB-CZ 4.05Å; I1027-F1029 HydrophobicContact CG2-CD2 4.15Å; I1027-F1029 HydrophobicContact CG2-CE1 4.14Å; I1027-F1029 HydrophobicContact CG2-CE2 3.32Å; I1027-F1029 HydrophobicContact CG2-CZ 3.3Å; I1027-V1043 PolarHBondContact O-N 3.22Å; I1027-I1065 HydrophobicContact CG2-CD1 3.77Å; I1027-I1065 HydrophobicContact CG2-CG1 3.52Å; I1027-G1066 CarbonylContact C-O 3.58Å; I1027-G1066 WeakPolarHBondContact CA-O 3.39Å; I1027-G1066 VanDerWaalsContact CG2-O 3.25Å; I1027-G1066 WeakPolarHBondContact CG2-O 3.44Å
1028C81.9Confident72.5Confident23 Ų2357.8 Ų57.816%0.15532%0.318CS..EExtended strand (participates in β ladder)trans-114.5140.9176.867.70000111.3L1040 I1041 I1065 G1066C1028-L1040 HydrophobicContact CB-CD1 3.61Å; C1028-L1040 HydrophobicContact CB-CD2 4.45Å; C1028-L1040 HydrophobicContact CB-CG 4.04Å; C1028-I1041 CarbonylContact C-O 3.51Å; C1028-I1041 VanDerWaalsContact CA-O 3.32Å; C1028-I1041 WeakPolarHBondContact CA-O 3.18Å; C1028-I1065 WeakPolarHBondContact O-CA 3.43Å; C1028-G1066 PolarHBondContact N-O 2.88Å; C1028-G1066 PolarHBondContact O-N 3.29Å; C1028-G1066 VanDerWaalsContact SG-C 3.53Å; C1028-G1066 PolarHBondContact SG-O 2.81Å
1029F86.2Confident74.3Confident7 Ų755.4 Ų55.43%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-128.1141.4-175.7-60.7-95.9000111.2L1010 I1027 I1041 V1043 F1050 L1063 R1064 I1065L1010-F1029 HydrophobicContact CD1-CE1 4.22Å; L1010-F1029 HydrophobicContact CD1-CZ 3.57Å; L1010-F1029 HydrophobicContact CD2-CE1 3.71Å; L1010-F1029 HydrophobicContact CD2-CZ 3.95Å; L1010-F1029 HydrophobicContact CG-CZ 4.36Å; I1027-F1029 HydrophobicContact CB-CE2 3.71Å; I1027-F1029 HydrophobicContact CB-CZ 4.05Å; I1027-F1029 HydrophobicContact CG2-CD2 4.15Å; I1027-F1029 HydrophobicContact CG2-CE1 4.14Å; I1027-F1029 HydrophobicContact CG2-CE2 3.32Å; I1027-F1029 HydrophobicContact CG2-CZ 3.3Å; F1029-I1041 HydrophobicContact CB-CB 4.45Å; F1029-I1041 PolarHBondContact N-O 3.34Å; F1029-I1041 PolarHBondContact O-N 3.3Å; F1029-V1043 HydrophobicContact CD2-CG2 3.74Å; F1029-V1043 HydrophobicContact CE2-CB 4.25Å; F1029-V1043 HydrophobicContact CE2-CG2 3.6Å; F1029-F1050 HydrophobicContact CD1-CZ 4.39Å; F1029-F1050 HydrophobicContact CD2-CE1 4.23Å; F1029-F1050 AromaticContact CD2-CZ 3.71Å; F1029-F1050 HydrophobicContact CD2-CZ 3.71Å; F1029-F1050 HydrophobicContact CE1-CE1 4.42Å; F1029-F1050 HydrophobicContact CE1-CZ 4.38Å; F1029-F1050 AromaticContact CE2-CE1 3.76Å; F1029-F1050 HydrophobicContact CE2-CE1 3.76Å; F1029-F1050 AromaticContact CE2-CZ 3.74Å; F1029-F1050 HydrophobicContact CE2-CZ 3.74Å; F1029-F1050 HydrophobicContact CG-CZ 4.06Å; F1029-F1050 AromaticContact CZ-CE1 3.88Å; F1029-F1050 HydrophobicContact CZ-CE1 3.88Å; F1029-F1050 HydrophobicContact CZ-CZ 4.1Å; F1029-L1063 HydrophobicContact CD1-CD1 4.22Å; F1029-R1064 CarbonylContact C-O 3.56Å; F1029-R1064 WeakPolarHBondContact CA-O 3.35Å; F1029-I1065 HydrophobicContact CD1-CB 4.18Å; F1029-I1065 HydrophobicContact CD1-CD1 4.09Å; F1029-I1065 HydrophobicContact CD1-CG1 3.78Å; F1029-I1065 HydrophobicContact CE1-CB 4.16Å; F1029-I1065 HydrophobicContact CE1-CD1 3.23Å; F1029-I1065 HydrophobicContact CE1-CG1 3.4Å; F1029-I1065 HydrophobicContact CZ-CD1 3.63Å; F1029-I1065 HydrophobicContact CZ-CG1 3.87Å
1030V88.4Confident75.9Confident32 Ų3255.3 Ų55.319%0.19432%0.322CS..EExtended strand (participates in β ladder)trans-129.7118164.3179.10000108L1040 R1064V1030-L1040 HydrophobicContact CG2-CD1 4.02Å; V1030-R1064 HydrophobicContact CB-CB 4.3Å; V1030-R1064 PolarHBondContact N-O 3.24Å; V1030-R1064 PolarHBondContact O-N 3.43Å
1031L91.5Very high77.4Confident4 Ų456.1 Ų56.12%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-105130.1177.6-174.167.4000109.2R1037 T1038 F1052 L1057 L1060 L1063 V1086 F1097L1031-R1037 CarbonylContact O-C 3.44Å; L1031-R1037 WeakPolarHBondContact O-CA 3.2Å; L1031-T1038 HydrophobicContact CB-CG2 4.03Å; L1031-T1038 PolarHBondContact N-OG1 3.33Å; L1031-T1038 PolarHBondContact O-N 3.02Å; L1031-T1038 PolarHBondContact O-OG1 3.16Å; L1031-F1052 HydrophobicContact CD2-CZ 3.93Å; L1031-L1057 HydrophobicContact CB-CD1 4.38Å; L1031-L1057 HydrophobicContact CD2-CD1 3.6Å; L1031-L1057 HydrophobicContact CG-CD1 4.03Å; L1031-L1060 HydrophobicContact CD1-CD1 4.23Å; L1031-L1060 HydrophobicContact CD1-CD2 4.4Å; L1031-L1060 HydrophobicContact CD2-CD1 3.82Å; L1031-L1060 HydrophobicContact CD2-CD2 3.78Å; L1031-L1060 HydrophobicContact CD2-CG 4.42Å; L1031-L1060 HydrophobicContact CG-CD1 4.42Å; L1031-L1060 HydrophobicContact CG-CD2 3.99Å; L1031-L1063 HydrophobicContact CD1-CB 4.29Å; L1031-L1063 HydrophobicContact CD1-CD1 3.89Å; L1031-V1086 HydrophobicContact CD1-CG2 4.44Å; L1031-V1086 HydrophobicContact CD2-CG1 3.9Å; L1031-F1097 HydrophobicContact CD1-CE2 4.19Å; L1031-F1097 HydrophobicContact CD1-CZ 4.28Å
1032T89.4Confident78.8Confident34 Ų3454.9 Ų54.921%0.20932%0.318CS..EExtended strand (participates in β ladder)trans-120.2129.2177.6-52.50000109.4R1037 S1061 T1062T1032-R1037 HydrophobicContact CG2-CB 4.03Å; T1032-S1061 PolarHBondContact O-N 3.25Å; T1032-S1061 PolarHBondContact O-OG 2.83Å; T1032-S1061 VanDerWaalsContact O-OG 3.12Å; T1032-T1062 VanDerWaalsContact CB-OG1 3.3Å; T1032-T1062 WeakPolarHBondContact CB-OG1 3Å; T1032-T1062 PolarHBondContact N-O 3.36Å; T1032-T1062 PolarHBondContact O-N 2.95Å; T1032-T1062 VanDerWaalsContact O-N 3.16Å
1033G89.8Confident80.3Confident8 Ų847.5 Ų47.58%0.08228%0.279CS..EExtended strand (participates in β ladder)trans-120.7-175.6169.900000112L1035 N1036 L1057 V1059G1033-L1035 PolarHBondContact O-N 3.41Å; G1033-N1036 PolarHBondContact N-O 2.82Å; G1033-L1057 CarbonylContact C-O 3.57Å; G1033-L1057 WeakPolarHBondContact CA-O 3.44Å; G1033-V1059 CarbonylContact C-O 3.53Å; G1033-V1059 WeakPolarHBondContact CA-O 3Å
1034S85.1Confident80.7Confident82 Ų8249.3 Ų49.357%0.57328%0.278SS*.SBendtrans-65.7-20.6-17565.50000114.5L1057 G1058 V1059S1034-L1057 PolarHBondContact N-O 3.37Å; S1034-L1057 VanDerWaalsContact N-O 3.11Å; S1034-G1058 WeakPolarHBondContact OG-CA 3.29Å; S1034-V1059 PolarHBondContact N-O 2.99Å; S1034-V1059 PolarHBondContact OG-N 3.1Å
1035L83.9Confident80.9Confident60 Ų6052.1 Ų52.131%0.31429%0.289SS..SBendtrans-102.7-45.2-178.9-64.7176.1000112.3T996 N1000 G1033 L1057T996-L1035 WeakPolarHBondContact O-CD1 3.44Å; N1000-L1035 HydrophobicContact CB-CD1 4.16Å; G1033-L1035 PolarHBondContact O-N 3.41Å; L1035-L1057 PolarHBondContact N-O 3.02Å
1036N82.2Confident81Confident70 Ų7054 Ų5437%0.37430%0.299SS..  trans-149167.4-170.9-72.2-55.5000111.3G1033 N1056 L1057G1033-N1036 PolarHBondContact N-O 2.82Å; N1036-N1056 PolarHBondContact ND2-O 3.35Å; N1036-L1057 HydrophobicContact CB-CD2 3.93Å; N1036-L1057 PolarHBondContact N-O 3.16Å
1037R89.4Confident81Confident183 Ų18355.8 Ų55.869%0.69131%0.309SS*.BIsolated β-bridgetrans-119150.7167.271.7-179.4-175.1-170.90.6110.6L1031 T1032L1031-R1037 CarbonylContact O-C 3.44Å; L1031-R1037 WeakPolarHBondContact O-CA 3.2Å; T1032-R1037 HydrophobicContact CG2-CB 4.03Å
1038T89.3Confident80.8Confident6 Ų658 Ų584%0.03733%0.329CS..  trans-74.3158.2171.767.90000110.8L1031 I1041 F1052 L1057L1031-T1038 HydrophobicContact CB-CG2 4.03Å; L1031-T1038 PolarHBondContact N-OG1 3.33Å; L1031-T1038 PolarHBondContact O-N 3.02Å; L1031-T1038 PolarHBondContact O-OG1 3.16Å; T1038-I1041 HydrophobicContact CG2-CD1 4.12Å; T1038-F1052 HydrophobicContact CG2-CE2 3.84Å; T1038-F1052 HydrophobicContact CG2-CZ 4.2Å; T1038-L1057 HydrophobicContact CG2-CD1 3.7Å; T1038-L1057 HydrophobicContact CG2-CD2 3.98Å; T1038-L1057 HydrophobicContact CG2-CG 4.47Å
1039G87Confident80.8Confident51 Ų5159.3 Ų59.353%0.52634%0.338SS..  trans-66.9-177.2157.100000111.6I1041G1039-I1041 PolarHBondContact O-N 3.19Å
1040L84.9Confident80.8Confident119 Ų11960.3 Ų60.362%0.62334%0.343SS*.  trans-68.5114.2173-169.770.9000109.5C1028 V1030C1028-L1040 HydrophobicContact CB-CD1 3.61Å; C1028-L1040 HydrophobicContact CB-CD2 4.45Å; C1028-L1040 HydrophobicContact CB-CG 4.04Å; V1030-L1040 HydrophobicContact CG2-CD1 4.02Å
1041I84.7Confident80.8Confident36 Ų3663.1 Ų63.119%0.18536%0.36CS..EExtended strand (participates in β ladder)trans-97.7109.4176.6-58173.7000107.9C1028 F1029 T1038 G1039 F1050 F1052C1028-I1041 CarbonylContact C-O 3.51Å; C1028-I1041 VanDerWaalsContact CA-O 3.32Å; C1028-I1041 WeakPolarHBondContact CA-O 3.18Å; F1029-I1041 HydrophobicContact CB-CB 4.45Å; F1029-I1041 PolarHBondContact N-O 3.34Å; F1029-I1041 PolarHBondContact O-N 3.3Å; T1038-I1041 HydrophobicContact CG2-CD1 4.12Å; G1039-I1041 PolarHBondContact O-N 3.19Å; I1041-F1050 HydrophobicContact CG2-CE2 4.44Å; I1041-F1052 HydrophobicContact CD1-CB 4.47Å; I1041-F1052 HydrophobicContact CD1-CD1 3.95Å; I1041-F1052 HydrophobicContact CD1-CD2 3.61Å; I1041-F1052 HydrophobicContact CD1-CE1 4Å; I1041-F1052 HydrophobicContact CD1-CE2 3.68Å; I1041-F1052 HydrophobicContact CD1-CG 3.74Å; I1041-F1052 HydrophobicContact CD1-CZ 3.87Å
1042T80.9Confident80.7Confident64 Ų6464.2 Ų64.239%0.39337%0.365SS..EExtended strand (participates in β ladder)trans-91.7119.2176.6-51.80000110.2T1044T1042-T1044 HydrophobicContact CG2-CG2 4.33Å
1043V75.1Confident80.7Confident20 Ų2067.6 Ų67.612%0.12138%0.378CS..EExtended strand (participates in β ladder)trans-95.4102.5176.6-175.10000107.9I1027 F1029 K1045 F1050I1027-V1043 PolarHBondContact O-N 3.22Å; F1029-V1043 HydrophobicContact CD2-CG2 3.74Å; F1029-V1043 HydrophobicContact CE2-CB 4.25Å; F1029-V1043 HydrophobicContact CE2-CG2 3.6Å; V1043-K1045 VanDerWaalsContact C-N 3.31Å; V1043-K1045 WeakPolarHBondContact CG1-O 3.46Å; V1043-K1045 PolarHBondContact O-N 2.98Å; V1043-F1050 HydrophobicContact CG1-CD1 4.22Å; V1043-F1050 HydrophobicContact CG1-CG 4.38Å; V1043-F1050 HydrophobicContact CG2-CD1 3.94Å; V1043-F1050 HydrophobicContact CG2-CD2 3.96Å; V1043-F1050 HydrophobicContact CG2-CE1 3.76Å; V1043-F1050 HydrophobicContact CG2-CE2 3.76Å; V1043-F1050 HydrophobicContact CG2-CG 4.04Å; V1043-F1050 HydrophobicContact CG2-CZ 3.66Å
1044T64Low80.8Confident99 Ų9969.7 Ų69.761%0.60739%0.386SS*.  trans-81.2-7.5-172.153.50000114.3T1042T1042-T1044 HydrophobicContact CG2-CG2 4.33Å
1045K62.1Low81.1Confident153 Ų15370.8 Ų70.867%0.66538%0.38SS*.SBendtrans-119.9138-178.6-66.8179.7-179.1178.90108.7V1043 V1047V1043-K1045 VanDerWaalsContact C-N 3.31Å; V1043-K1045 WeakPolarHBondContact CG1-O 3.46Å; V1043-K1045 PolarHBondContact O-N 2.98Å; K1045-V1047 HydrophobicContact CB-CG2 3.56Å; K1045-V1047 PolarHBondContact O-N 2.88Å
1046N60Low81.3Confident43 Ų4367.9 Ų67.923%0.2337%0.365CS..  trans-71.474.8176.1-176.732.8000110.9F1020F1020-N1046 WeakPolarHBondContact CA-ND2 3.48Å; F1020-N1046 WeakPolarHBondContact CB-ND2 3.39Å; F1020-N1046 WeakPolarHBondContact CD2-OD1 3.2Å; F1020-N1046 PolarHBondContact N-ND2 3.36Å; F1020-N1046 PolarHBondContact O-ND2 2.86Å
1047V68.3Low81.7Confident65 Ų6564.6 Ų64.639%0.39435%0.348SS..  trans-115.2127-178-158.50000108.5K1045 S1049K1045-V1047 HydrophobicContact CB-CG2 3.56Å; K1045-V1047 PolarHBondContact O-N 2.88Å; V1047-S1049 WeakPolarHBondContact CG1-O 3.32Å; V1047-S1049 PolarHBondContact O-N 2.94Å
1048A73.5Confident81.7Confident59 Ų5956.1 Ų56.149%0.48832%0.317SS..SBendtrans-66.9-18.2177.200000112.9Q1009 L1010Q1009-A1048 CarbonylContact C-O 3.56Å; Q1009-A1048 WeakPolarHBondContact CA-O 3.35Å; L1010-A1048 PolarHBondContact N-O 3.46Å
1049S80.6Confident81.6Confident50 Ų5058.2 Ų58.235%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-136.3138.4175.667.40000111.3V1008 V1047V1008-S1049 CarbonylContact O-C 3.48Å; V1008-S1049 WeakPolarHBondContact O-CA 2.9Å; V1047-S1049 WeakPolarHBondContact CG1-O 3.32Å; V1047-S1049 PolarHBondContact O-N 2.94Å
1050F86.1Confident81.7Confident28 Ų2856.2 Ų56.212%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-145.5157.817364.7-85.2000110.7V1008 L1010 F1029 I1041 V1043 F1052V1008-F1050 HydrophobicContact CB-CD1 4.2Å; V1008-F1050 HydrophobicContact CB-CD2 4.43Å; V1008-F1050 HydrophobicContact CB-CE1 3.74Å; V1008-F1050 HydrophobicContact CB-CE2 4.01Å; V1008-F1050 HydrophobicContact CB-CZ 3.64Å; V1008-F1050 HydrophobicContact CG1-CE1 3.71Å; V1008-F1050 HydrophobicContact CG1-CZ 3.76Å; V1008-F1050 HydrophobicContact CG2-CE1 4.48Å; V1008-F1050 HydrophobicContact CG2-CE2 3.94Å; V1008-F1050 HydrophobicContact CG2-CZ 3.88Å; V1008-F1050 PolarHBondContact N-O 3.41Å; V1008-F1050 PolarHBondContact O-N 3.18Å; L1010-F1050 HydrophobicContact CD1-CE1 4.3Å; F1029-F1050 HydrophobicContact CD1-CZ 4.39Å; F1029-F1050 HydrophobicContact CD2-CE1 4.23Å; F1029-F1050 AromaticContact CD2-CZ 3.71Å; F1029-F1050 HydrophobicContact CD2-CZ 3.71Å; F1029-F1050 HydrophobicContact CE1-CE1 4.42Å; F1029-F1050 HydrophobicContact CE1-CZ 4.38Å; F1029-F1050 AromaticContact CE2-CE1 3.76Å; F1029-F1050 HydrophobicContact CE2-CE1 3.76Å; F1029-F1050 AromaticContact CE2-CZ 3.74Å; F1029-F1050 HydrophobicContact CE2-CZ 3.74Å; F1029-F1050 HydrophobicContact CG-CZ 4.06Å; F1029-F1050 AromaticContact CZ-CE1 3.88Å; F1029-F1050 HydrophobicContact CZ-CE1 3.88Å; F1029-F1050 HydrophobicContact CZ-CZ 4.1Å; I1041-F1050 HydrophobicContact CG2-CE2 4.44Å; V1043-F1050 HydrophobicContact CG1-CD1 4.22Å; V1043-F1050 HydrophobicContact CG1-CG 4.38Å; V1043-F1050 HydrophobicContact CG2-CD1 3.94Å; V1043-F1050 HydrophobicContact CG2-CD2 3.96Å; V1043-F1050 HydrophobicContact CG2-CE1 3.76Å; V1043-F1050 HydrophobicContact CG2-CE2 3.76Å; V1043-F1050 HydrophobicContact CG2-CG 4.04Å; V1043-F1050 HydrophobicContact CG2-CZ 3.66Å; F1050-F1052 HydrophobicContact CD2-CD1 4.4Å; F1050-F1052 AromaticContact CE2-CD1 3.96Å; F1050-F1052 HydrophobicContact CE2-CD1 3.96Å
1051T88.6Confident81.8Confident92 Ų9253.6 Ų53.656%0.56430%0.299SS*.EExtended strand (participates in β ladder)trans-117.2143.8175.655.20000110.2Y1006 E1007Y1006-T1051 CarbonylContact O-C 3.58Å; Y1006-T1051 WeakPolarHBondContact O-CA 3.43Å; E1007-T1051 HydrophobicContact CB-CG2 3.92Å; E1007-T1051 HydrophobicContact CG-CG2 3.91Å
1052F90.2Very high82Confident26 Ų2654.8 Ų54.811%0.11431%0.308CS..EExtended strand (participates in β ladder)trans-137.7155.9169.469.7-88.6000110.1T1005 Y1006 V1008 L1031 T1038 I1041 F1050 H1054T1005-F1052 WeakPolarHBondContact CA-O 3.38Å; Y1006-F1052 HydrophobicContact CD2-CD2 4.4Å; Y1006-F1052 AromaticContact CD2-CE2 3.77Å; Y1006-F1052 HydrophobicContact CD2-CE2 3.77Å; Y1006-F1052 HydrophobicContact CD2-CZ 4.03Å; Y1006-F1052 HydrophobicContact CG-CE2 4.24Å; Y1006-F1052 HydrophobicContact CG-CZ 4.03Å; Y1006-F1052 PolarHBondContact N-O 3.37Å; Y1006-F1052 PolarHBondContact O-N 2.95Å; V1008-F1052 HydrophobicContact CG2-CD1 4.14Å; V1008-F1052 HydrophobicContact CG2-CE1 3.65Å; L1031-F1052 HydrophobicContact CD2-CZ 3.93Å; T1038-F1052 HydrophobicContact CG2-CE2 3.84Å; T1038-F1052 HydrophobicContact CG2-CZ 4.2Å; I1041-F1052 HydrophobicContact CD1-CB 4.47Å; I1041-F1052 HydrophobicContact CD1-CD1 3.95Å; I1041-F1052 HydrophobicContact CD1-CD2 3.61Å; I1041-F1052 HydrophobicContact CD1-CE1 4Å; I1041-F1052 HydrophobicContact CD1-CE2 3.68Å; I1041-F1052 HydrophobicContact CD1-CG 3.74Å; I1041-F1052 HydrophobicContact CD1-CZ 3.87Å; F1050-F1052 HydrophobicContact CD2-CD1 4.4Å; F1050-F1052 AromaticContact CE2-CD1 3.96Å; F1050-F1052 HydrophobicContact CE2-CD1 3.96Å; F1052-H1054 HydrophobicContact CD2-CB 4.15Å; F1052-H1054 HydrophobicContact CE2-CB 3.94Å
1053E89.7Confident82.5Confident105 Ų10553.3 Ų53.349%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-107.9134.9176.4-59.8-172.1155.700110.2K1003 I1004 T1005K1003-E1053 HydrophobicContact CD-CB 4.19Å; K1003-E1053 WeakPolarHBondContact CE-OE2 3.38Å; K1003-E1053 HydrophobicContact CG-CB 4.2Å; K1003-E1053 IonicContact NZ-OE2 3.13Å; K1003-E1053 PolarHBondContact NZ-OE2 3.01Å; I1004-E1053 WeakPolarHBondContact O-CA 3.23Å; T1005-E1053 HydrophobicContact CG2-CG 4.17Å; T1005-E1053 PolarHBondContact OG1-OE1 2.87Å
1054H91.7Very high83.1Confident52 Ų5260.5 Ų60.524%0.24132%0.322CS..EExtended strand (participates in β ladder)trans-146.8160.9176.7-163.6-86.7000110.2I1004 Y1006 F1052 L1057I1004-H1054 PolarHBondContact N-O 3.14Å; I1004-H1054 PolarHBondContact O-N 3.1Å; Y1006-H1054 HydrophobicContact CD2-CB 4.43Å; Y1006-H1054 HydrophobicContact CE2-CB 4.19Å; F1052-H1054 HydrophobicContact CD2-CB 4.15Å; F1052-H1054 HydrophobicContact CE2-CB 3.94Å; H1054-L1057 WeakPolarHBondContact ND1-CD2 3.44Å
1055K90Very high84.2Confident105 Ų10558.3 Ų58.346%0.45731%0.306SS..EExtended strand (participates in β ladder)trans-56.4146.2165.2-67-172.8177-168.60109.5L1057K1055-L1057 PolarHBondContact O-N 2.9Å; K1055-L1057 VanDerWaalsContact O-N 3.1Å
1056N89.2Confident85.1Confident0 Ų052.2 Ų52.20%029%0.287CS..  trans-42.8117.6178-177-0.4000111.8T996 F999 T1002 I1004 N1036 G1058T996-N1056 PolarHBondContact O-ND2 3.46Å; F999-N1056 PolarHBondContact O-ND2 2.92Å; T1002-N1056 PolarHBondContact O-N 3.3Å; I1004-N1056 HydrophobicContact CD1-CB 3.72Å; I1004-N1056 HydrophobicContact CG1-CB 4.33Å; N1036-N1056 PolarHBondContact ND2-O 3.35Å; N1056-G1058 VanDerWaalsContact C-N 3.35Å; N1056-G1058 PolarHBondContact OD1-N 3.08Å
1057L90.3Very high85.8Confident0 Ų052.2 Ų52.20%029%0.285CS..  trans-87.1-11.5-177.6-65.9174.4000111.3Y1006 L1031 G1033 S1034 L1035 N1036 T1038 H1054 K1055 L1060Y1006-L1057 HydrophobicContact CD2-CD1 4.43Å; Y1006-L1057 HydrophobicContact CE1-CD1 4.35Å; Y1006-L1057 HydrophobicContact CE2-CD1 3.97Å; Y1006-L1057 HydrophobicContact CE2-CG 4.13Å; Y1006-L1057 PolarHBondContact OH-N 3.32Å; L1031-L1057 HydrophobicContact CB-CD1 4.38Å; L1031-L1057 HydrophobicContact CD2-CD1 3.6Å; L1031-L1057 HydrophobicContact CG-CD1 4.03Å; G1033-L1057 CarbonylContact C-O 3.57Å; G1033-L1057 WeakPolarHBondContact CA-O 3.44Å; S1034-L1057 PolarHBondContact N-O 3.37Å; S1034-L1057 VanDerWaalsContact N-O 3.11Å; L1035-L1057 PolarHBondContact N-O 3.02Å; N1036-L1057 HydrophobicContact CB-CD2 3.93Å; N1036-L1057 PolarHBondContact N-O 3.16Å; T1038-L1057 HydrophobicContact CG2-CD1 3.7Å; T1038-L1057 HydrophobicContact CG2-CD2 3.98Å; T1038-L1057 HydrophobicContact CG2-CG 4.47Å; H1054-L1057 WeakPolarHBondContact ND1-CD2 3.44Å; K1055-L1057 PolarHBondContact O-N 2.9Å; K1055-L1057 VanDerWaalsContact O-N 3.1Å; L1057-L1060 HydrophobicContact CB-CD2 3.74Å; L1057-L1060 HydrophobicContact CD1-CD2 4Å
1058G88.8Confident85.9Confident5 Ų551.9 Ų51.95%0.05228%0.282CS..  trans78.6-152.6-173.700000112.3S1034 N1056 L1060S1034-G1058 WeakPolarHBondContact OG-CA 3.29Å; N1056-G1058 VanDerWaalsContact C-N 3.35Å; N1056-G1058 PolarHBondContact OD1-N 3.08Å; G1058-L1060 PolarHBondContact O-N 2.92Å
1059V87.5Confident85.7Confident51 Ų5154.7 Ų54.731%0.30929%0.288SS..SBendtrans-69.9119174.1-173.90000108.8Y993 G1033 S1034 S1061 Y1095Y993-V1059 HydrophobicContact CD1-CG2 3.42Å; Y993-V1059 VanDerWaalsContact CD1-CG2 3.42Å; Y993-V1059 HydrophobicContact CE1-CG1 4.27Å; Y993-V1059 HydrophobicContact CE1-CG2 3.53Å; Y993-V1059 HydrophobicContact CG-CG2 4.32Å; G1033-V1059 CarbonylContact C-O 3.53Å; G1033-V1059 WeakPolarHBondContact CA-O 3Å; S1034-V1059 PolarHBondContact N-O 2.99Å; S1034-V1059 PolarHBondContact OG-N 3.1Å; V1059-S1061 PolarHBondContact O-N 3.45Å; V1059-Y1095 HydrophobicContact CG1-CE1 3.95Å
1060L89.3Confident85Confident8 Ų856.5 Ų56.54%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-70.6130.6-177.8-55.3-177.4000109.9Y1006 L1031 L1057 G1058 V1086 Y1095 F1097Y1006-L1060 HydrophobicContact CE1-CD2 4.41Å; L1031-L1060 HydrophobicContact CD1-CD1 4.23Å; L1031-L1060 HydrophobicContact CD1-CD2 4.4Å; L1031-L1060 HydrophobicContact CD2-CD1 3.82Å; L1031-L1060 HydrophobicContact CD2-CD2 3.78Å; L1031-L1060 HydrophobicContact CD2-CG 4.42Å; L1031-L1060 HydrophobicContact CG-CD1 4.42Å; L1031-L1060 HydrophobicContact CG-CD2 3.99Å; L1057-L1060 HydrophobicContact CB-CD2 3.74Å; L1057-L1060 HydrophobicContact CD1-CD2 4Å; G1058-L1060 PolarHBondContact O-N 2.92Å; L1060-V1086 HydrophobicContact CD1-CB 3.91Å; L1060-V1086 HydrophobicContact CD1-CG1 3.52Å; L1060-Y1095 HydrophobicContact CB-CD1 3.91Å; L1060-Y1095 HydrophobicContact CB-CD2 4.05Å; L1060-Y1095 HydrophobicContact CB-CE1 4.07Å; L1060-Y1095 HydrophobicContact CB-CE2 4.19Å; L1060-Y1095 HydrophobicContact CB-CG 3.9Å; L1060-Y1095 HydrophobicContact CD1-CD2 3.53Å; L1060-Y1095 HydrophobicContact CD1-CE2 3.92Å; L1060-Y1095 HydrophobicContact CD1-CG 4.01Å; L1060-Y1095 HydrophobicContact CG-CD2 3.87Å; L1060-Y1095 HydrophobicContact CG-CE2 3.83Å; L1060-Y1095 HydrophobicContact CG-CG 4.24Å; L1060-F1097 HydrophobicContact CB-CE2 4.44Å; L1060-F1097 HydrophobicContact CB-CZ 3.86Å
1061S88.2Confident83.8Confident65 Ų6559.9 Ų59.946%0.45532%0.32SS..EExtended strand (participates in β ladder)trans-119.5-42.4-17357.20000112.9T1032 V1059T1032-S1061 PolarHBondContact O-N 3.25Å; T1032-S1061 PolarHBondContact O-OG 2.83Å; T1032-S1061 VanDerWaalsContact O-OG 3.12Å; V1059-S1061 PolarHBondContact O-N 3.45Å
1062T88.8Confident82.2Confident61 Ų6159.6 Ų59.637%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-137.1132.2-177.771.30000111.6T1032T1032-T1062 VanDerWaalsContact CB-OG1 3.3Å; T1032-T1062 WeakPolarHBondContact CB-OG1 3Å; T1032-T1062 PolarHBondContact N-O 3.36Å; T1032-T1062 PolarHBondContact O-N 2.95Å; T1032-T1062 VanDerWaalsContact O-N 3.16Å
1063L90.3Very high80.6Confident33 Ų3361.9 Ų61.917%0.17335%0.346CS..EExtended strand (participates in β ladder)trans-107.7124.7167.7178.672.3000108.7F1029 L1031 A1084 F1097F1029-L1063 HydrophobicContact CD1-CD1 4.22Å; L1031-L1063 HydrophobicContact CD1-CB 4.29Å; L1031-L1063 HydrophobicContact CD1-CD1 3.89Å; L1063-A1084 HydrophobicContact CD2-CB 3.34Å; L1063-F1097 HydrophobicContact CB-CB 4.1Å; L1063-F1097 HydrophobicContact CB-CD1 3.85Å; L1063-F1097 HydrophobicContact CB-CD2 3.9Å; L1063-F1097 HydrophobicContact CB-CE1 4.27Å; L1063-F1097 HydrophobicContact CB-CE2 4.3Å; L1063-F1097 HydrophobicContact CB-CG 3.66Å; L1063-F1097 HydrophobicContact CB-CZ 4.48Å; L1063-F1097 HydrophobicContact CD2-CB 3.94Å; L1063-F1097 HydrophobicContact CD2-CD2 4.11Å; L1063-F1097 HydrophobicContact CD2-CG 4.14Å
1064R88.5Confident78.9Confident171 Ų17157 Ų5765%0.64532%0.324SS*.EExtended strand (participates in β ladder)trans-109.1125.2169.2-62-179.7-178-178.6-1.1108.3F1029 V1030F1029-R1064 CarbonylContact C-O 3.56Å; F1029-R1064 WeakPolarHBondContact CA-O 3.35Å; V1030-R1064 HydrophobicContact CB-CB 4.3Å; V1030-R1064 PolarHBondContact N-O 3.24Å; V1030-R1064 PolarHBondContact O-N 3.43Å
1065I85.8Confident77.2Confident52 Ų5258.8 Ų58.827%0.26734%0.342SS..EExtended strand (participates in β ladder)trans-120.4139.6177.6-167.5176.8000108.9L1010 I1027 C1028 F1029 W1079 L1081L1010-I1065 HydrophobicContact CD2-CD1 4.47Å; I1027-I1065 HydrophobicContact CG2-CD1 3.77Å; I1027-I1065 HydrophobicContact CG2-CG1 3.52Å; C1028-I1065 WeakPolarHBondContact O-CA 3.43Å; F1029-I1065 HydrophobicContact CD1-CB 4.18Å; F1029-I1065 HydrophobicContact CD1-CD1 4.09Å; F1029-I1065 HydrophobicContact CD1-CG1 3.78Å; F1029-I1065 HydrophobicContact CE1-CB 4.16Å; F1029-I1065 HydrophobicContact CE1-CD1 3.23Å; F1029-I1065 HydrophobicContact CE1-CG1 3.4Å; F1029-I1065 HydrophobicContact CZ-CD1 3.63Å; F1029-I1065 HydrophobicContact CZ-CG1 3.87Å; I1065-W1079 HydrophobicContact CD1-CH2 3.71Å; I1065-W1079 HydrophobicContact CD1-CZ3 3.92Å; I1065-W1079 HydrophobicContact CG1-CH2 4.01Å; I1065-W1079 HydrophobicContact CG2-CH2 4.44Å; I1065-L1081 HydrophobicContact CD1-CD2 3.43Å; I1065-L1081 VanDerWaalsContact CD1-CD2 3.43Å; I1065-L1081 HydrophobicContact CG2-CD2 4.38Å
1066G81.3Confident75.7Confident25 Ų2558.6 Ų58.626%0.25835%0.354SS..EExtended strand (participates in β ladder)trans-148.2172.5177.300000111.2I1027 C1028I1027-G1066 CarbonylContact C-O 3.58Å; I1027-G1066 WeakPolarHBondContact CA-O 3.39Å; I1027-G1066 VanDerWaalsContact CG2-O 3.25Å; I1027-G1066 WeakPolarHBondContact CG2-O 3.44Å; C1028-G1066 PolarHBondContact N-O 2.88Å; C1028-G1066 PolarHBondContact O-N 3.29Å; C1028-G1066 VanDerWaalsContact SG-C 3.53Å; C1028-G1066 PolarHBondContact SG-O 2.81Å
1067Q74.9Confident74.4Confident43 Ų4360 Ų6020%0.20136%0.361CS..EExtended strand (participates in β ladder)trans-111.1137.9174.3179.6179.3-20.600109.2L1025 L1069 S1074L1025-Q1067 VanDerWaalsContact CD2-CD 3.48Å; L1025-Q1067 HydrophobicContact CD2-CG 4.06Å; Q1067-L1069 PolarHBondContact O-N 3.43Å; Q1067-S1074 PolarHBondContact NE2-O 2.96Å; Q1067-S1074 PolarHBondContact NE2-OG 2.95Å
1068D70.7Confident73.2Confident59 Ų5968.1 Ų68.132%0.31640%0.396SS..  trans-77.3111.2171.2-169.9-8.2000110S1026 S1070 S1074S1026-D1068 PolarHBondContact O-N 3.38Å; D1068-S1070 VanDerWaalsContact C-N 3.35Å; D1068-S1070 VanDerWaalsContact CG-OG 3.22Å; D1068-S1070 VanDerWaalsContact OD1-CB 3.24Å; D1068-S1070 WeakPolarHBondContact OD1-CB 3.44Å; D1068-S1070 PolarHBondContact OD1-N 3.31Å; D1068-S1070 PolarHBondContact OD1-OG 3.28Å; D1068-S1070 PolarHBondContact OD2-OG 2.69Å; D1068-S1074 PolarHBondContact O-OG 2.93Å
1069L68.8Low72.3Confident118 Ų11870.6 Ų70.662%0.61840%0.404SS*.  trans-90.55.9-178.3-68.3169000113Q1067 N1071Q1067-L1069 PolarHBondContact O-N 3.43Å; L1069-N1071 PolarHBondContact O-N 3.42Å
1070S66Low71.7Confident88 Ų8875.6 Ų75.662%0.61542%0.419SS*.  trans-61.5-30.4-179.555.50000113.5D1068D1068-S1070 VanDerWaalsContact C-N 3.35Å; D1068-S1070 VanDerWaalsContact CG-OG 3.22Å; D1068-S1070 VanDerWaalsContact OD1-CB 3.24Å; D1068-S1070 WeakPolarHBondContact OD1-CB 3.44Å; D1068-S1070 PolarHBondContact OD1-N 3.31Å; D1068-S1070 PolarHBondContact OD1-OG 3.28Å; D1068-S1070 PolarHBondContact OD2-OG 2.69Å
1071N60.1Low71.2Confident98 Ų9876.1 Ų76.152%0.52442%0.421SS..SBendtrans-89.4112.1173-79.6-20.8000110.7L1069 S1073 S1074L1069-N1071 PolarHBondContact O-N 3.42Å; N1071-S1073 PolarHBondContact O-N 3.05Å; N1071-S1074 PolarHBondContact O-N 3.09Å; N1071-S1074 PolarHBondContact O-OG 3.34Å
1072A55.7Low71Confident87 Ų8777.9 Ų77.972%0.71942%0.422SS*.G310 helixtrans-54.3-25.2-17900000114.3S1074 S1075A1072-S1074 VanDerWaalsContact C-N 3.27Å; A1072-S1074 PolarHBondContact O-N 3.38Å; A1072-S1075 PolarHBondContact O-OG 3.22Å
1073S57Low70.9Confident74 Ų7476.1 Ų76.152%0.51741%0.41SS..G310 helixtrans-70.1-14.2175.754.20000114.8N1071N1071-S1073 PolarHBondContact O-N 3.05Å
1074S53.9Low70.8Confident2 Ų274.5 Ų74.51%0.01440%0.401CS..G310 helixtrans-91.9-14.3-178.176.50000113.7Q1024 Q1067 D1068 N1071 A1072 S1076 I1077Q1024-S1074 WeakPolarHBondContact O-CB 3.32Å; Q1067-S1074 PolarHBondContact NE2-O 2.96Å; Q1067-S1074 PolarHBondContact NE2-OG 2.95Å; D1068-S1074 PolarHBondContact O-OG 2.93Å; N1071-S1074 PolarHBondContact O-N 3.09Å; N1071-S1074 PolarHBondContact O-OG 3.34Å; A1072-S1074 VanDerWaalsContact C-N 3.27Å; A1072-S1074 PolarHBondContact O-N 3.38Å; S1074-S1076 PolarHBondContact O-N 2.96Å; S1074-S1076 VanDerWaalsContact O-N 3.13Å; S1074-I1077 PolarHBondContact O-N 2.97Å
1075S56.2Low70.9Confident90 Ų9067.3 Ų67.363%0.62938%0.376SS*.THydrogen-bonded Turntrans-64-18.9-171.961.60000115.5A1072A1072-S1075 PolarHBondContact O-OG 3.22Å
1076S58.9Low71.1Confident100 Ų10064.9 Ų64.970%0.69936%0.363SS*.THydrogen-bonded Turntrans-98.3-1.2-177.360.60000114.8S1074 K1078S1074-S1076 PolarHBondContact O-N 2.96Å; S1074-S1076 VanDerWaalsContact O-N 3.13Å; S1076-K1078 PolarHBondContact O-N 3.25Å
1077I61.4Low71.6Confident30 Ų3064.3 Ų64.315%0.15435%0.353CS..  trans-88.7108.9-171.6-54.9171.8000110.5F1020 Q1024 L1025 S1074F1020-I1077 HydrophobicContact CD1-CG2 3.7Å; F1020-I1077 HydrophobicContact CE1-CG2 3.52Å; Q1024-I1077 HydrophobicContact CB-CD1 3.85Å; L1025-I1077 HydrophobicContact CD1-CG2 3.77Å; L1025-I1077 HydrophobicContact CD2-CB 4.18Å; L1025-I1077 HydrophobicContact CD2-CD1 4.19Å; L1025-I1077 HydrophobicContact CD2-CG2 4.1Å; L1025-I1077 HydrophobicContact CG-CD1 3.93Å; L1025-I1077 HydrophobicContact CG-CG2 4.09Å; S1074-I1077 PolarHBondContact O-N 2.97Å
1078K65.8Low72.4Confident170 Ų17062.5 Ų62.574%0.73935%0.345SS*.  trans-86.8128.8172-68.5-176.5179.4179.60110.4S1076S1076-K1078 PolarHBondContact O-N 3.25Å
1079W69.5Low73.4Confident57 Ų5761.1 Ų61.122%0.21634%0.336CS..  trans-135.214817858-80.9000110.3F1012 F1020 I1065 L1081F1012-W1079 HydrophobicContact CD1-CE3 4.38Å; F1012-W1079 AromaticContact CE1-CE3 3.84Å; F1012-W1079 HydrophobicContact CE1-CE3 3.84Å; F1012-W1079 HydrophobicContact CE1-CZ3 4.37Å; F1020-W1079 HydrophobicContact CE1-CB 4.18Å; F1020-W1079 HydrophobicContact CE2-CB 4.44Å; F1020-W1079 HydrophobicContact CZ-CB 3.52Å; F1020-W1079 HydrophobicContact CZ-CG 4.5Å; I1065-W1079 HydrophobicContact CD1-CH2 3.71Å; I1065-W1079 HydrophobicContact CD1-CZ3 3.92Å; I1065-W1079 HydrophobicContact CG1-CH2 4.01Å; I1065-W1079 HydrophobicContact CG2-CH2 4.44Å; W1079-L1081 HydrophobicContact CE3-CB 3.98Å; W1079-L1081 HydrophobicContact CZ3-CB 3.64Å; W1079-L1081 HydrophobicContact CZ3-CD2 4.21Å
1080Y74.7Confident74.5Confident157 Ų15755.8 Ų55.862%0.61631%0.309SS*.  trans-124.3106.7-178.8-67.1-85.9000108.9F1012 S1013F1012-Y1080 VanDerWaalsContact CA-O 3.3Å; F1012-Y1080 WeakPolarHBondContact CA-O 3.33Å; S1013-Y1080 PolarHBondContact N-O 2.89Å
1081L79.3Confident75.6Confident18 Ų1851.9 Ų51.99%0.09428%0.281CS..EExtended strand (participates in β ladder)trans-93.3122.5173.1179.672000108.7L1010 V1011 F1012 I1065 W1079 C1099L1010-L1081 HydrophobicContact CB-CD1 3.82Å; L1010-L1081 HydrophobicContact CD2-CD1 4.3Å; L1010-L1081 HydrophobicContact CD2-CD2 4.42Å; V1011-L1081 WeakPolarHBondContact O-CD1 3.4Å; F1012-L1081 HydrophobicContact CD1-CB 4.39Å; F1012-L1081 HydrophobicContact CD1-CD1 4.19Å; F1012-L1081 HydrophobicContact CE1-CB 4.49Å; F1012-L1081 HydrophobicContact CE1-CD1 4.11Å; F1012-L1081 HydrophobicContact CZ-CD1 4.43Å; I1065-L1081 HydrophobicContact CD1-CD2 3.43Å; I1065-L1081 VanDerWaalsContact CD1-CD2 3.43Å; I1065-L1081 HydrophobicContact CG2-CD2 4.38Å; W1079-L1081 HydrophobicContact CE3-CB 3.98Å; W1079-L1081 HydrophobicContact CZ3-CB 3.64Å; W1079-L1081 HydrophobicContact CZ3-CD2 4.21Å; L1081-C1099 HydrophobicContact CB-CB 4.34Å; L1081-C1099 HydrophobicContact CD2-CB 3.79Å; L1081-C1099 WeakPolarHBondContact CD2-SG 3.17Å; L1081-C1099 HydrophobicContact CG-CB 3.92Å
1082E82.9Confident76.9Confident103 Ų10348.4 Ų48.448%0.48127%0.269SS..EExtended strand (participates in β ladder)trans-81.6-47.8179.7-169.3-175.3144.800110.7V1011 C1099V1011-E1082 WeakPolarHBondContact O-CB 3.49Å; V1011-E1082 PolarHBondContact O-N 2.84Å; E1082-C1099 PolarHBondContact O-N 2.89Å; E1082-C1099 VanDerWaalsContact O-N 3.14Å
1083H87Confident78.4Confident23 Ų2345.9 Ų45.911%0.10624%0.241CC..EExtended strand (participates in β ladder)trans-160.8159.4175.557.7-82000111.4V1011 K1096 F1097V1011-H1083 PolarHBondContact N-O 2.9Å; V1011-H1083 PolarHBondContact O-N 3.29Å; H1083-K1096 HydrophobicContact CB-CG 4.37Å; H1083-F1097 CarbonylContact C-O 3.51Å; H1083-F1097 WeakPolarHBondContact CA-O 3.5Å; H1083-F1097 VanDerWaalsContact CB-O 3.27Å; H1083-F1097 WeakPolarHBondContact CB-O 3.44Å
1084A87.9Confident80Confident0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-115.8137.7170.600000110.3Q1009 L1010 L1063 F1097Q1009-A1084 CarbonylContact O-C 3.43Å; Q1009-A1084 WeakPolarHBondContact O-CA 3.26Å; L1010-A1084 HydrophobicContact CD2-CB 3.84Å; L1063-A1084 HydrophobicContact CD2-CB 3.34Å; A1084-F1097 PolarHBondContact N-O 2.92Å; A1084-F1097 PolarHBondContact O-N 3.36Å
1085I90.3Very high81.7Confident20 Ų2045.1 Ų45.110%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-109.3126.9175.4-59.1175.7000107.7L890 V1008 Q1009 T1094 Y1095L890-I1085 HydrophobicContact CD1-CG2 3.67Å; V1008-I1085 CarbonylContact C-O 3.59Å; V1008-I1085 WeakPolarHBondContact CA-O 3.45Å; Q1009-I1085 HydrophobicContact CB-CB 4.44Å; Q1009-I1085 PolarHBondContact N-O 3.34Å; Q1009-I1085 PolarHBondContact O-N 3.19Å; I1085-T1094 HydrophobicContact CG2-CG2 3.28Å; I1085-Y1095 CarbonylContact C-O 3.57Å; I1085-Y1095 WeakPolarHBondContact CA-O 3.43Å
1086V91.1Very high83.4Confident0 Ų044.2 Ų44.20%022%0.215CC..EExtended strand (participates in β ladder)trans-119.6121175.6-174.40000109Y1006 E1007 V1008 L1031 L1060 T1094 Y1095 F1097Y1006-V1086 HydrophobicContact CD1-CG1 4.31Å; E1007-V1086 CarbonylContact O-C 3.58Å; E1007-V1086 WeakPolarHBondContact O-CA 3.45Å; V1008-V1086 HydrophobicContact CG1-CG2 4.33Å; V1008-V1086 HydrophobicContact CG2-CG1 4.25Å; V1008-V1086 HydrophobicContact CG2-CG2 4.17Å; L1031-V1086 HydrophobicContact CD1-CG2 4.44Å; L1031-V1086 HydrophobicContact CD2-CG1 3.9Å; L1060-V1086 HydrophobicContact CD1-CB 3.91Å; L1060-V1086 HydrophobicContact CD1-CG1 3.52Å; V1086-T1094 CarbonylContact O-C 3.49Å; V1086-T1094 WeakPolarHBondContact O-CA 3.14Å; V1086-Y1095 PolarHBondContact N-O 3.08Å; V1086-Y1095 PolarHBondContact O-N 3.45Å; V1086-F1097 HydrophobicContact CB-CE2 4.25Å; V1086-F1097 HydrophobicContact CG2-CD2 4.03Å; V1086-F1097 HydrophobicContact CG2-CE2 3.91Å
1087R92.5Very high84.9Confident13 Ų1340.2 Ų40.25%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-115.3128.8177.9-178.3173.167.2175.30.4112L890 P891 Y1006 E1007 Q1089 R1093 T1094L890-R1087 HydrophobicContact CD1-CB 4.06Å; P891-R1087 PolarHBondContact O-NH1 3.43Å; P891-R1087 PolarHBondContact O-NH2 2.78Å; Y1006-R1087 CarbonylContact C-O 3.6Å; Y1006-R1087 WeakPolarHBondContact CA-O 3.35Å; E1007-R1087 PolarHBondContact N-O 3.1Å; E1007-R1087 PolarHBondContact O-N 2.95Å; E1007-R1087 IonicContact OE2-CZ 3.52Å; E1007-R1087 IonicContact OE2-NE 3.98Å; E1007-R1087 IonicContact OE2-NH2 3.48Å; E1007-R1087 PolarHBondContact OE2-NH2 3.34Å; R1087-Q1089 PolarHBondContact O-N 3.02Å; R1087-R1093 CarbonylContact C-O 3.6Å; R1087-R1093 VanDerWaalsContact CA-O 3.3Å; R1087-R1093 WeakPolarHBondContact CA-O 3.35Å; R1087-T1094 HydrophobicContact CB-CG2 4.31Å; R1087-T1094 WeakPolarHBondContact CD-OG1 3.31Å; R1087-T1094 WeakPolarHBondContact CG-OG1 3.42Å
1088D91.3Very high86Confident6 Ų643.8 Ų43.83%0.03221%0.212CC..EExtended strand (participates in β ladder)trans-72.9116.4164.8177.6-16.6000109I1004 Y1006 V1090 T1091 G1092 R1093I1004-D1088 HydrophobicContact CG2-CB 4.41Å; I1004-D1088 WeakPolarHBondContact CG2-OD1 3.36Å; Y1006-D1088 HydrophobicContact CD1-CB 4.45Å; Y1006-D1088 HydrophobicContact CE1-CB 4.31Å; D1088-V1090 VanDerWaalsContact C-N 3.25Å; D1088-V1090 PolarHBondContact O-N 2.87Å; D1088-V1090 WeakPolarHBondContact OD1-CA 3.26Å; D1088-V1090 WeakPolarHBondContact OD1-CB 3.42Å; D1088-V1090 PolarHBondContact OD1-N 2.82Å; D1088-T1091 WeakPolarHBondContact CB-OG1 3.21Å; D1088-T1091 PolarHBondContact OD1-N 3.18Å; D1088-T1091 VanDerWaalsContact OD1-N 3.13Å; D1088-T1091 WeakPolarHBondContact OD2-CG2 3.36Å; D1088-T1091 PolarHBondContact OD2-OG1 3.28Å; D1088-G1092 WeakPolarHBondContact O-CA 3.37Å; D1088-G1092 PolarHBondContact O-N 3.32Å; D1088-R1093 PolarHBondContact N-O 2.74Å
1089Q91.4Very high86.5Confident29 Ų2940.7 Ų40.714%0.13621%0.211CC..THydrogen-bonded Turntrans-72.4-17.6-178.9-63.9-61.8-52.200113.2L893 Y899 T1005 E1007 R1087L893-Q1089 WeakPolarHBondContact CD1-O 3.4Å; L893-Q1089 VanDerWaalsContact CD2-OE1 3.31Å; Y899-Q1089 PolarHBondContact OH-O 3.13Å; T1005-Q1089 HydrophobicContact CG2-CG 4.3Å; T1005-Q1089 VanDerWaalsContact O-CB 3.3Å; T1005-Q1089 WeakPolarHBondContact O-CB 3.38Å; T1005-Q1089 VanDerWaalsContact O-CG 3.31Å; T1005-Q1089 WeakPolarHBondContact O-CG 3.48Å; T1005-Q1089 PolarHBondContact O-N 3.02Å; E1007-Q1089 HydrophobicContact CB-CG 4.39Å; E1007-Q1089 PolarHBondContact OE2-NE2 2.76Å; R1087-Q1089 PolarHBondContact O-N 3.02Å
1090V91.3Very high87.4Confident6 Ų639.9 Ų39.94%0.03621%0.211CC..THydrogen-bonded Turntrans-84.4-54.8179.2-176.50000109.9H903 L923 R927 F995 I1004 D1088H903-V1090 HydrophobicContact CB-CG1 4.16Å; L923-V1090 HydrophobicContact CD1-CG1 3.81Å; L923-V1090 HydrophobicContact CD2-CG1 4.28Å; R927-V1090 WeakPolarHBondContact CD-O 3.41Å; R927-V1090 PolarHBondContact NH1-O 3.46Å; F995-V1090 HydrophobicContact CE1-CG1 3.8Å; F995-V1090 HydrophobicContact CZ-CG1 4.1Å; I1004-V1090 HydrophobicContact CB-CG2 4.48Å; I1004-V1090 HydrophobicContact CG1-CG2 4.26Å; I1004-V1090 HydrophobicContact CG2-CG2 4.16Å; D1088-V1090 VanDerWaalsContact C-N 3.25Å; D1088-V1090 PolarHBondContact O-N 2.87Å; D1088-V1090 WeakPolarHBondContact OD1-CA 3.26Å; D1088-V1090 WeakPolarHBondContact OD1-CB 3.42Å; D1088-V1090 PolarHBondContact OD1-N 2.82Å
1091T89.5Confident88Confident6 Ų633.7 Ų33.74%0.03719%0.189CC..THydrogen-bonded Turntrans-89.2-14-176.166.80000113.9L923 E926 R927 F995 D1088 R1093L923-T1091 HydrophobicContact CD1-CG2 4.29Å; E926-T1091 HydrophobicContact CG-CG2 4.39Å; R927-T1091 WeakPolarHBondContact CG-O 3.33Å; F995-T1091 HydrophobicContact CD1-CG2 3.82Å; F995-T1091 HydrophobicContact CE1-CG2 4.46Å; D1088-T1091 WeakPolarHBondContact CB-OG1 3.21Å; D1088-T1091 PolarHBondContact OD1-N 3.18Å; D1088-T1091 VanDerWaalsContact OD1-N 3.13Å; D1088-T1091 WeakPolarHBondContact OD2-CG2 3.36Å; D1088-T1091 PolarHBondContact OD2-OG1 3.28Å; T1091-R1093 PolarHBondContact O-N 3.28Å; T1091-R1093 PolarHBondContact OG1-N 3.05Å
1092G87.8Confident88.5Confident26 Ų2634.6 Ų34.627%0.26819%0.194SC..  trans73.60.7-176.500000115.2D1088 T1094D1088-G1092 WeakPolarHBondContact O-CA 3.37Å; D1088-G1092 PolarHBondContact O-N 3.32Å; G1092-T1094 PolarHBondContact O-N 3.18Å; G1092-T1094 PolarHBondContact O-OG1 3.21Å
1093R87.5Confident88.9Confident33 Ų3330.6 Ų30.613%0.12518%0.178CC..  trans-63.7130177.1-76.1-161.3145.3114.61.4110.8E926 E991 F992 Y993 R1087 D1088 T1091 Y1095E926-R1093 IonicContact OE1-CZ 2.75Å; E926-R1093 IonicContact OE1-NH1 3.97Å; E926-R1093 PolarHBondContact OE1-NH1 2.93Å; E926-R1093 IonicContact OE2-NH1 3.56Å; E991-R1093 IonicContact OE2-NH2 3.69Å; F992-R1093 VanDerWaalsContact O-CZ 3.28Å; F992-R1093 PolarHBondContact O-NH1 2.8Å; F992-R1093 PolarHBondContact O-NH2 3.12Å; Y993-R1093 PolarHBondContact OH-NH2 3.36Å; R1087-R1093 CarbonylContact C-O 3.6Å; R1087-R1093 VanDerWaalsContact CA-O 3.3Å; R1087-R1093 WeakPolarHBondContact CA-O 3.35Å; D1088-R1093 PolarHBondContact N-O 2.74Å; T1091-R1093 PolarHBondContact O-N 3.28Å; T1091-R1093 PolarHBondContact OG1-N 3.05Å; R1093-Y1095 HydrophobicContact CB-CE2 3.78Å
1094T89.8Confident89Confident41 Ų4131.1 Ų31.125%0.25218%0.182SC..EExtended strand (participates in β ladder)trans-123124.7-175.2-55.50000109.1L890 I1085 V1086 R1087 G1092L890-T1094 HydrophobicContact CD1-CG2 4.21Å; I1085-T1094 HydrophobicContact CG2-CG2 3.28Å; V1086-T1094 CarbonylContact O-C 3.49Å; V1086-T1094 WeakPolarHBondContact O-CA 3.14Å; R1087-T1094 HydrophobicContact CB-CG2 4.31Å; R1087-T1094 WeakPolarHBondContact CD-OG1 3.31Å; R1087-T1094 WeakPolarHBondContact CG-OG1 3.42Å; G1092-T1094 PolarHBondContact O-N 3.18Å; G1092-T1094 PolarHBondContact O-OG1 3.21Å
1095Y90.5Very high89Confident20 Ų2033.1 Ų33.18%0.07819%0.194CC..EExtended strand (participates in β ladder)trans-113.6129.8-176-60.6-97.4000109.2V1059 L1060 I1085 V1086 R1093V1059-Y1095 HydrophobicContact CG1-CE1 3.95Å; L1060-Y1095 HydrophobicContact CB-CD1 3.91Å; L1060-Y1095 HydrophobicContact CB-CD2 4.05Å; L1060-Y1095 HydrophobicContact CB-CE1 4.07Å; L1060-Y1095 HydrophobicContact CB-CE2 4.19Å; L1060-Y1095 HydrophobicContact CB-CG 3.9Å; L1060-Y1095 HydrophobicContact CD1-CD2 3.53Å; L1060-Y1095 HydrophobicContact CD1-CE2 3.92Å; L1060-Y1095 HydrophobicContact CD1-CG 4.01Å; L1060-Y1095 HydrophobicContact CG-CD2 3.87Å; L1060-Y1095 HydrophobicContact CG-CE2 3.83Å; L1060-Y1095 HydrophobicContact CG-CG 4.24Å; I1085-Y1095 CarbonylContact C-O 3.57Å; I1085-Y1095 WeakPolarHBondContact CA-O 3.43Å; V1086-Y1095 PolarHBondContact N-O 3.08Å; V1086-Y1095 PolarHBondContact O-N 3.45Å; R1093-Y1095 HydrophobicContact CB-CE2 3.78Å
1096K91Very high88.9Confident70 Ų7034.1 Ų34.130%0.30420%0.201SC..EExtended strand (participates in β ladder)trans-104.4115.7175.8-177.3179.8176179.90109.6L872 H1083L872-K1096 HydrophobicContact CD1-CB 4.37Å; L872-K1096 HydrophobicContact CD2-CD 4.3Å; L872-K1096 HydrophobicContact CG-CB 4.42Å; H1083-K1096 HydrophobicContact CB-CG 4.37Å
1097F89.4Confident88.8Confident17 Ų1736.7 Ų36.78%0.07522%0.216CC..EExtended strand (participates in β ladder)trans-101.3109.2172.9-62.1-80.8000108.5L1031 L1060 L1063 H1083 A1084 V1086L1031-F1097 HydrophobicContact CD1-CE2 4.19Å; L1031-F1097 HydrophobicContact CD1-CZ 4.28Å; L1060-F1097 HydrophobicContact CB-CE2 4.44Å; L1060-F1097 HydrophobicContact CB-CZ 3.86Å; L1063-F1097 HydrophobicContact CB-CB 4.1Å; L1063-F1097 HydrophobicContact CB-CD1 3.85Å; L1063-F1097 HydrophobicContact CB-CD2 3.9Å; L1063-F1097 HydrophobicContact CB-CE1 4.27Å; L1063-F1097 HydrophobicContact CB-CE2 4.3Å; L1063-F1097 HydrophobicContact CB-CG 3.66Å; L1063-F1097 HydrophobicContact CB-CZ 4.48Å; L1063-F1097 HydrophobicContact CD2-CB 3.94Å; L1063-F1097 HydrophobicContact CD2-CD2 4.11Å; L1063-F1097 HydrophobicContact CD2-CG 4.14Å; H1083-F1097 CarbonylContact C-O 3.51Å; H1083-F1097 WeakPolarHBondContact CA-O 3.5Å; H1083-F1097 VanDerWaalsContact CB-O 3.27Å; H1083-F1097 WeakPolarHBondContact CB-O 3.44Å; A1084-F1097 PolarHBondContact N-O 2.92Å; A1084-F1097 PolarHBondContact O-N 3.36Å; V1086-F1097 HydrophobicContact CB-CE2 4.25Å; V1086-F1097 HydrophobicContact CG2-CD2 4.03Å; V1086-F1097 HydrophobicContact CG2-CE2 3.91Å
1098C84.9Confident88.5Confident105 Ų10538.7 Ų38.771%0.70923%0.23SC*.EExtended strand (participates in β ladder)trans-72.2129.9170.1-57.70000108.1
1099C77.3Confident88.2Confident105 Ų10541.6 Ų41.671%0.70925%0.248SC*.  trans-105.10-169.8-69.10000113L1081 E1082L1081-C1099 HydrophobicContact CB-CB 4.34Å; L1081-C1099 HydrophobicContact CD2-CB 3.79Å; L1081-C1099 WeakPolarHBondContact CD2-SG 3.17Å; L1081-C1099 HydrophobicContact CG-CB 3.92Å; E1082-C1099 PolarHBondContact O-N 2.89Å; E1082-C1099 VanDerWaalsContact O-N 3.14Å

Retrieved 1,099 of 1,099 residues in 2130.9 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).