A0A3Q0KUI0_SCHMA Loading...

GP-PDE domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KUI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 321 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
1M68.9Low87.9Confident208 Ų208109.1 Ų109.1100%1.02562%0.615SS**  0-48.50-154.6158.274.200112.8G3 L4 V5M1-G3 PolarHBondContact O-N 2.97Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-V5 PolarHBondContact O-N 3.32Å
2M77.8Confident88.3Confident167 Ų167105.8 Ų105.882%0.82359%0.587SS**Hα-helixtrans-57.6-39.8-178.5-66.2-166.4-72.400115L4 V5 A6M2-L4 PolarHBondContact O-N 3.47Å; M2-V5 PolarHBondContact O-N 3.44Å; M2-A6 PolarHBondContact O-N 2.99Å
3G87.7Confident88.6Confident51 Ų51101.2 Ų101.253%0.52657%0.566SS.*Hα-helixtrans-64.9-35.9-179.100000114.8M1 T7M1-G3 PolarHBondContact O-N 2.97Å; G3-T7 WeakPolarHBondContact O-CB 3.25Å; G3-T7 PolarHBondContact O-N 3.29Å; G3-T7 PolarHBondContact O-OG1 3.33Å
4L88.6Confident88.9Confident127 Ų127103.5 Ų103.567%0.66557%0.568SS**Hα-helixtrans-68.8-44.8177.6-177.165.5000110.9M1 M2 A6 T7 V8M1-L4 PolarHBondContact O-N 3.23Å; M2-L4 PolarHBondContact O-N 3.47Å; L4-A6 PolarHBondContact O-N 3.47Å; L4-T7 PolarHBondContact O-N 3.41Å; L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 3.35Å
5V89.4Confident89.1Confident95 Ų95101.1 Ų101.158%0.57656%0.557SS**Hα-helixtrans-60.6-45.3177.8177.60000110.9M1 M2 T7 V8 F9M1-V5 PolarHBondContact O-N 3.32Å; M2-V5 PolarHBondContact O-N 3.44Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.39Å; V5-V8 PolarHBondContact O-N 3.06Å; V5-F9 WeakPolarHBondContact O-CB 3.36Å; V5-F9 PolarHBondContact O-N 3.45Å
6A90.6Very high89.3Confident54 Ų5495.5 Ų95.545%0.44653%0.528SS..Hα-helixtrans-60.4-43.4176.300000112M2 L4 F9 V10M2-A6 PolarHBondContact O-N 2.99Å; L4-A6 PolarHBondContact O-N 3.47Å; A6-F9 PolarHBondContact O-N 2.97Å; A6-V10 WeakPolarHBondContact O-CG2 3.32Å; A6-V10 PolarHBondContact O-N 3.42Å
7T92.3Very high89.4Confident78 Ų7896.2 Ų96.248%0.47952%0.522SS..Hα-helixtrans-62.2-46.7178.5-56.50000111.6G3 L4 V5 F9 V10 I11G3-T7 WeakPolarHBondContact O-CB 3.25Å; G3-T7 PolarHBondContact O-N 3.29Å; G3-T7 PolarHBondContact O-OG1 3.33Å; L4-T7 PolarHBondContact O-N 3.41Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.39Å; T7-F9 VanDerWaalsContact C-N 3.32Å; T7-F9 PolarHBondContact O-N 3.06Å; T7-V10 PolarHBondContact O-N 2.78Å; T7-I11 HydrophobicContact CG2-CD1 3.9Å; T7-I11 WeakPolarHBondContact O-CG1 3.48Å; T7-I11 PolarHBondContact O-N 2.91Å
8V92.8Very high89.6Confident90 Ų9095.1 Ų95.155%0.54551%0.514SS..Hα-helixtrans-60.2-42.8176.7172.60000111L4 V5 I11 Y12L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 3.35Å; V5-V8 PolarHBondContact O-N 3.06Å; V8-I11 PolarHBondContact O-N 2.89Å; V8-Y12 VanDerWaalsContact O-CB 3.25Å; V8-Y12 WeakPolarHBondContact O-CB 3.48Å; V8-Y12 PolarHBondContact O-N 3.31Å
9F92.1Very high89.7Confident132 Ų13291.9 Ų91.958%0.57950%0.497SS*.Hα-helixtrans-65.5-39.7179.1-176.3-99000113.1V5 A6 T7 Y12 S13V5-F9 WeakPolarHBondContact O-CB 3.36Å; V5-F9 PolarHBondContact O-N 3.45Å; A6-F9 PolarHBondContact O-N 2.97Å; T7-F9 VanDerWaalsContact C-N 3.32Å; T7-F9 PolarHBondContact O-N 3.06Å; F9-Y12 PolarHBondContact O-N 2.79Å; F9-S13 WeakPolarHBondContact O-CB 3.25Å; F9-S13 PolarHBondContact O-N 3.43Å; F9-S13 PolarHBondContact O-OG 2.72Å
10V92.7Very high89.8Confident96 Ų9688 Ų8858%0.58248%0.475SS*.Hα-helixtrans-65-47.9175.8170.40000110.8A6 T7 Y12 S13 F14A6-V10 WeakPolarHBondContact O-CG2 3.32Å; A6-V10 PolarHBondContact O-N 3.42Å; T7-V10 PolarHBondContact O-N 2.78Å; V10-Y12 VanDerWaalsContact C-N 3.31Å; V10-Y12 PolarHBondContact O-N 3.41Å; V10-S13 PolarHBondContact O-N 3.45Å; V10-F14 WeakPolarHBondContact O-CB 3.4Å; V10-F14 PolarHBondContact O-N 3.3Å
11I93.8Very high89.9Confident102 Ų10289.9 Ų89.952%0.52348%0.476SS..Hα-helixtrans-59.6-45.5177.4-67.7168.7000110.3T7 V8 T15T7-I11 HydrophobicContact CG2-CD1 3.9Å; T7-I11 WeakPolarHBondContact O-CG1 3.48Å; T7-I11 PolarHBondContact O-N 2.91Å; V8-I11 PolarHBondContact O-N 2.89Å; I11-T15 VanDerWaalsContact O-CB 3.25Å; I11-T15 WeakPolarHBondContact O-CB 3.35Å; I11-T15 PolarHBondContact O-N 2.94Å; I11-T15 PolarHBondContact O-OG1 3.37Å
12Y93.2Very high90.9Very high69 Ų6987.6 Ų87.627%0.27146%0.46SS..Hα-helixtrans-58.5-52176.5169.3-101.3000111.8V8 F9 V10 F14 T15 S16 V213 G214 L215V8-Y12 VanDerWaalsContact O-CB 3.25Å; V8-Y12 WeakPolarHBondContact O-CB 3.48Å; V8-Y12 PolarHBondContact O-N 3.31Å; F9-Y12 PolarHBondContact O-N 2.79Å; V10-Y12 VanDerWaalsContact C-N 3.31Å; V10-Y12 PolarHBondContact O-N 3.41Å; Y12-F14 VanDerWaalsContact C-N 3.34Å; Y12-F14 PolarHBondContact O-N 3.49Å; Y12-T15 PolarHBondContact O-N 2.8Å; Y12-S16 WeakPolarHBondContact O-CB 3.2Å; Y12-S16 PolarHBondContact O-N 2.89Å; Y12-V213 WeakPolarHBondContact CE1-O 3.36Å; Y12-V213 PolarHBondContact OH-O 3.32Å; Y12-G214 WeakPolarHBondContact OH-CA 3.43Å; Y12-G214 PolarHBondContact OH-O 2.67Å; Y12-L215 HydrophobicContact CE2-CD2 4.08Å; Y12-L215 WeakPolarHBondContact OH-CD2 3.28Å; Y12-L215 WeakPolarHBondContact OH-CG 3.27Å; Y12-L215 PolarHBondContact OH-N 3.03Å
13S91.6Very high91.4Very high46 Ų4679.9 Ų79.932%0.32242%0.423SS..Hα-helixtrans-62.2-42.5-177.1-59.90000111.5F9 V10 Y17F9-S13 WeakPolarHBondContact O-CB 3.25Å; F9-S13 PolarHBondContact O-N 3.43Å; F9-S13 PolarHBondContact O-OG 2.72Å; V10-S13 PolarHBondContact O-N 3.45Å; S13-Y17 VanDerWaalsContact O-CB 3.26Å; S13-Y17 WeakPolarHBondContact O-CB 3.34Å; S13-Y17 PolarHBondContact O-N 2.74Å
14F93.3Very high91.1Very high134 Ų13479.6 Ų79.659%0.58841%0.408SS*.Hα-helixtrans-65.6-46.5177-173.9-108.9000111.9V10 Y12 Y17 I18V10-F14 WeakPolarHBondContact O-CB 3.4Å; V10-F14 PolarHBondContact O-N 3.3Å; Y12-F14 VanDerWaalsContact C-N 3.34Å; Y12-F14 PolarHBondContact O-N 3.49Å; F14-Y17 PolarHBondContact O-N 3.02Å; F14-I18 HydrophobicContact CD1-CD1 3.74Å; F14-I18 HydrophobicContact CE1-CD1 3.3Å; F14-I18 HydrophobicContact CE1-CG1 4.46Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.38Å; F14-I18 HydrophobicContact CZ-CD1 3.58Å; F14-I18 HydrophobicContact CZ-CG1 4.47Å; F14-I18 WeakPolarHBondContact O-CG1 3.16Å; F14-I18 PolarHBondContact O-N 2.83Å
15T92.3Very high90.8Very high67 Ų6780 Ų8041%0.41141%0.41SS..Hα-helixtrans-62.2-48.6177.9-57.10000110.9I11 Y12 Y17 I18 L19I11-T15 VanDerWaalsContact O-CB 3.25Å; I11-T15 WeakPolarHBondContact O-CB 3.35Å; I11-T15 PolarHBondContact O-N 2.94Å; I11-T15 PolarHBondContact O-OG1 3.37Å; Y12-T15 PolarHBondContact O-N 2.8Å; T15-Y17 VanDerWaalsContact C-N 3.34Å; T15-Y17 PolarHBondContact O-N 3.2Å; T15-I18 PolarHBondContact O-N 3.24Å; T15-L19 HydrophobicContact CG2-CD1 3.92Å; T15-L19 HydrophobicContact CG2-CG 4.34Å; T15-L19 WeakPolarHBondContact O-CB 3.29Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.48Å; T15-L19 PolarHBondContact O-N 3.24Å
16S91.1Very high90.4Very high12 Ų1283 Ų838%0.08442%0.415CS..Hα-helixtrans-55.4-48175.7175.70000111.4Y12 I18 L19 L20 G214Y12-S16 WeakPolarHBondContact O-CB 3.2Å; Y12-S16 PolarHBondContact O-N 2.89Å; S16-I18 PolarHBondContact O-N 3.32Å; S16-L19 PolarHBondContact O-N 3.12Å; S16-L20 VanDerWaalsContact O-CB 3.22Å; S16-L20 WeakPolarHBondContact O-CB 3.33Å; S16-L20 PolarHBondContact O-N 3.09Å; S16-G214 WeakPolarHBondContact CB-O 3.43Å; S16-G214 VanDerWaalsContact OG-C 3.27Å; S16-G214 WeakPolarHBondContact OG-CA 3.46Å; S16-G214 PolarHBondContact OG-O 3.25Å
17Y91.3Very high90.1Very high108 Ų10881.8 Ų81.842%0.42440%0.401SS..Hα-helixtrans-61.7-42179.1-179.1-98.4000113.2S13 F14 T15 L20 R21S13-Y17 VanDerWaalsContact O-CB 3.26Å; S13-Y17 WeakPolarHBondContact O-CB 3.34Å; S13-Y17 PolarHBondContact O-N 2.74Å; F14-Y17 PolarHBondContact O-N 3.02Å; T15-Y17 VanDerWaalsContact C-N 3.34Å; T15-Y17 PolarHBondContact O-N 3.2Å; Y17-L20 PolarHBondContact O-N 2.89Å; Y17-R21 VanDerWaalsContact CZ-NE 3.33Å; Y17-R21 PolarHBondContact O-N 2.94Å; Y17-R21 PolarHBondContact OH-NE 3.01Å; Y17-R21 PolarHBondContact OH-NH2 3.41Å
18I92.9Very high89.5Confident75 Ų7584.2 Ų84.239%0.38540%0.402SS..Hα-helixtrans-62.4-49.7175.1-71.1172.2000110.4F14 T15 S16 L20 R21 K22F14-I18 HydrophobicContact CD1-CD1 3.74Å; F14-I18 HydrophobicContact CE1-CD1 3.3Å; F14-I18 HydrophobicContact CE1-CG1 4.46Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.38Å; F14-I18 HydrophobicContact CZ-CD1 3.58Å; F14-I18 HydrophobicContact CZ-CG1 4.47Å; F14-I18 WeakPolarHBondContact O-CG1 3.16Å; F14-I18 PolarHBondContact O-N 2.83Å; T15-I18 PolarHBondContact O-N 3.24Å; S16-I18 PolarHBondContact O-N 3.32Å; I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 PolarHBondContact O-N 3.27Å; I18-R21 PolarHBondContact O-N 2.78Å; I18-R21 VanDerWaalsContact O-N 3.11Å; I18-K22 PolarHBondContact O-N 3.34Å
19L92.7Very high88.8Confident35 Ų3583.4 Ų83.418%0.18339%0.391CS..Hα-helixtrans-66.9-29.8-178.7-65.9179.5000112.3T15 S16 R21 K22 P23 I24 P217 L218T15-L19 HydrophobicContact CG2-CD1 3.92Å; T15-L19 HydrophobicContact CG2-CG 4.34Å; T15-L19 WeakPolarHBondContact O-CB 3.29Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.48Å; T15-L19 PolarHBondContact O-N 3.24Å; S16-L19 PolarHBondContact O-N 3.12Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.43Å; L19-K22 CarbonylContact O-C 3.22Å; L19-K22 PolarHBondContact O-N 2.93Å; L19-P23 VanDerWaalsContact O-CA 3.29Å; L19-P23 WeakPolarHBondContact O-CA 3.41Å; L19-P23 VanDerWaalsContact O-N 3.13Å; L19-I24 HydrophobicContact CD1-CD1 4.3Å; L19-I24 HydrophobicContact CD2-CD1 4.37Å; L19-I24 HydrophobicContact CD2-CG1 3.8Å; L19-P217 HydrophobicContact CB-CB 3.43Å; L19-P217 VanDerWaalsContact CB-CB 3.43Å; L19-P217 HydrophobicContact CB-CG 4.1Å; L19-L218 HydrophobicContact CD1-CD2 3.66Å
20L91.7Very high88.1Confident14 Ų1486.2 Ų86.27%0.07340%0.403CS..Hα-helixtrans-63.5-39.5172.9-173.570.3000110.9S16 Y17 I18 Y211 P217 L265 H269S16-L20 VanDerWaalsContact O-CB 3.22Å; S16-L20 WeakPolarHBondContact O-CB 3.33Å; S16-L20 PolarHBondContact O-N 3.09Å; Y17-L20 PolarHBondContact O-N 2.89Å; I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 PolarHBondContact O-N 3.27Å; L20-Y211 HydrophobicContact CD1-CD2 3.82Å; L20-Y211 HydrophobicContact CD1-CE2 3.83Å; L20-Y211 HydrophobicContact CD2-CD2 4.42Å; L20-Y211 HydrophobicContact CD2-CE2 3.78Å; L20-Y211 HydrophobicContact CG-CE2 4.37Å; L20-P217 HydrophobicContact CB-CG 3.84Å; L20-P217 HydrophobicContact CD1-CG 4.12Å; L20-L265 HydrophobicContact CD2-CD1 4.39Å; L20-L265 HydrophobicContact CD2-CD2 3.51Å; L20-L265 HydrophobicContact CD2-CG 3.76Å; L20-L265 HydrophobicContact CG-CD1 4.4Å; L20-L265 HydrophobicContact CG-CD2 4.38Å; L20-L265 HydrophobicContact CG-CG 4.15Å; L20-H269 WeakPolarHBondContact CA-ND1 3.26Å; L20-H269 HydrophobicContact CD1-CB 3.89Å; L20-H269 PolarHBondContact O-ND1 3.23Å
21R90.6Very high87.6Confident127 Ų12789.6 Ų89.648%0.47941%0.405SS..Hα-helixtrans-79.9-30.8175.9-70.8-176.3167.3-149.5-5.8113.4Y17 I18 L19 L265 K272Y17-R21 VanDerWaalsContact CZ-NE 3.33Å; Y17-R21 PolarHBondContact O-N 2.94Å; Y17-R21 PolarHBondContact OH-NE 3.01Å; Y17-R21 PolarHBondContact OH-NH2 3.41Å; I18-R21 PolarHBondContact O-N 2.78Å; I18-R21 VanDerWaalsContact O-N 3.11Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.43Å; R21-L265 HydrophobicContact CG-CD1 4.04Å; R21-K272 WeakPolarHBondContact O-CD 3.22Å; R21-K272 PolarHBondContact O-NZ 3.26Å
22K90.6Very high87.3Confident160 Ų16085.5 Ų85.570%0.69638%0.384SS*.SBendtrans-131.282.9-178.5-65.8-171.7-179.8-177.40110.5I18 L19I18-K22 PolarHBondContact O-N 3.34Å; L19-K22 CarbonylContact O-C 3.22Å; L19-K22 PolarHBondContact O-N 2.93Å
23P87.1Confident87.1Confident6 Ų686.3 Ų86.34%0.03940%0.398CS..  trans-63.3145.5-177.6-1929.6000112.4L19 K272 R273L19-P23 VanDerWaalsContact O-CA 3.29Å; L19-P23 WeakPolarHBondContact O-CA 3.41Å; L19-P23 VanDerWaalsContact O-N 3.13Å; P23-K272 HydrophobicContact CG-CB 3.88Å; P23-R273 HydrophobicContact CB-CG 3.34Å; P23-R273 HydrophobicContact CG-CG 3.56Å
24I83.4Confident87.2Confident44 Ų4485.7 Ų85.723%0.22639%0.39CS..  trans-63138-178.6-47.2172.7000110.4L19 F26 L27 L218L19-I24 HydrophobicContact CD1-CD1 4.3Å; L19-I24 HydrophobicContact CD2-CD1 4.37Å; L19-I24 HydrophobicContact CD2-CG1 3.8Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-F26 HydrophobicContact CB-CE1 4.26Å; I24-F26 HydrophobicContact CB-CZ 4.32Å; I24-F26 HydrophobicContact CD1-CE1 4.49Å; I24-F26 HydrophobicContact CD1-CZ 3.99Å; I24-F26 HydrophobicContact CG2-CD1 3.38Å; I24-F26 HydrophobicContact CG2-CE1 3.14Å; I24-F26 HydrophobicContact CG2-CE2 4.3Å; I24-F26 HydrophobicContact CG2-CG 4.08Å; I24-F26 HydrophobicContact CG2-CZ 3.62Å; I24-F26 PolarHBondContact O-N 2.58Å; I24-L27 HydrophobicContact CB-CD1 4.43Å; I24-L27 HydrophobicContact CB-CG 4.48Å; I24-L27 HydrophobicContact CD1-CD1 4.15Å; I24-L27 PolarHBondContact O-N 3.27Å; I24-L27 VanDerWaalsContact O-N 3.09Å; I24-L218 HydrophobicContact CD1-CD2 4.17Å
25I80.7Confident87.2Confident137 Ų13784.9 Ų84.970%0.70339%0.387SS*.G310 helixtrans-61.6-38.5-170.9-151.5164.8000112.9L27 R28I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 2.79Å; I25-R28 WeakPolarHBondContact O-CB 3.43Å; I25-R28 PolarHBondContact O-N 3.28Å
26F82Confident87.4Confident157 Ų15781.8 Ų81.869%0.68937%0.369SS*.G310 helixtrans-74.8-13.4179.664.2-106.5000113.8I24I24-F26 VanDerWaalsContact C-N 3.34Å; I24-F26 HydrophobicContact CB-CE1 4.26Å; I24-F26 HydrophobicContact CB-CZ 4.32Å; I24-F26 HydrophobicContact CD1-CE1 4.49Å; I24-F26 HydrophobicContact CD1-CZ 3.99Å; I24-F26 HydrophobicContact CG2-CD1 3.38Å; I24-F26 HydrophobicContact CG2-CE1 3.14Å; I24-F26 HydrophobicContact CG2-CE2 4.3Å; I24-F26 HydrophobicContact CG2-CG 4.08Å; I24-F26 HydrophobicContact CG2-CZ 3.62Å; I24-F26 PolarHBondContact O-N 2.58Å
27L84.1Confident87.7Confident28 Ų2881.2 Ų81.215%0.14737%0.365CS..G310 helixtrans-94.95.2173-65.5-179.3000112.7I24 I25 P217 P220 R273I24-L27 HydrophobicContact CB-CD1 4.43Å; I24-L27 HydrophobicContact CB-CG 4.48Å; I24-L27 HydrophobicContact CD1-CD1 4.15Å; I24-L27 PolarHBondContact O-N 3.27Å; I24-L27 VanDerWaalsContact O-N 3.09Å; I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 2.79Å; L27-P217 WeakPolarHBondContact CD1-O 3.4Å; L27-P220 HydrophobicContact CD2-CB 4.36Å; L27-R273 PolarHBondContact O-NE 2.94Å; L27-R273 PolarHBondContact O-NH2 3.21Å
28R79.6Confident88Confident129 Ų12976.2 Ų76.249%0.48735%0.345SS..PPolyproline II helixtrans-82.9130.8171.8-61.7-174.7177.7-171.6-1.7109.4I25 R273I25-R28 WeakPolarHBondContact O-CB 3.43Å; I25-R28 PolarHBondContact O-N 3.28Å; R28-R273 WeakPolarHBondContact CA-O 3.39Å
29K78.8Confident88.3Confident74 Ų7472.6 Ų72.632%0.32233%0.327SS..PPolyproline II helixtrans-88.7155.8169.9-159.6171.7-172.1-177.80109.3R31 K222 Y223 D224 R273 F275K29-R31 PolarHBondContact O-N 3.1Å; K29-K222 PolarHBondContact NZ-O 3.16Å; K29-Y223 PolarHBondContact NZ-O 2.56Å; K29-D224 WeakPolarHBondContact CE-OD1 3.36Å; K29-D224 IonicContact NZ-OD1 2.61Å; K29-D224 PolarHBondContact NZ-OD1 3.49Å; K29-D224 IonicContact NZ-OD2 3.79Å; K29-R273 PolarHBondContact N-O 3.41Å; K29-F275 HydrophobicContact CB-CE1 3.76Å; K29-F275 HydrophobicContact CB-CE2 4.37Å; K29-F275 HydrophobicContact CB-CZ 3.58Å; K29-F275 HydrophobicContact CD-CD1 4.48Å; K29-F275 HydrophobicContact CD-CE1 3.53Å; K29-F275 HydrophobicContact CD-CZ 4.05Å; K29-F275 HydrophobicContact CG-CE1 4.28Å; K29-F275 HydrophobicContact CG-CZ 4.44Å
30K75.9Confident88.6Confident191 Ų19171 Ų7183%0.8332%0.318SS*.PPolyproline II helixtrans-60.7136.8166.2-168.5178.3177-176.60107.9
31R82.1Confident88.9Confident166 Ų16670.7 Ų70.763%0.62632%0.317SS*.PPolyproline II helixtrans-62.9157.1176.3-65.6-178.1179.8-1781109.9K29K29-R31 PolarHBondContact O-N 3.1Å
32L87.8Confident89.2Confident17 Ų1764.7 Ų64.79%0.08929%0.294CS..PPolyproline II helixtrans-48.9142.9164.2-65.4179000109.2F34 L196 D224 C225 P276 F278L32-F34 HydrophobicContact CD1-CE2 4.26Å; L32-F34 HydrophobicContact CD1-CZ 4.2Å; L32-F34 PolarHBondContact O-N 2.61Å; L32-L196 HydrophobicContact CD2-CB 4.3Å; L32-L196 HydrophobicContact CD2-CD1 3.83Å; L32-L196 HydrophobicContact CD2-CD2 4.06Å; L32-L196 HydrophobicContact CD2-CG 4.27Å; L32-D224 HydrophobicContact CD2-CB 3.97Å; L32-C225 HydrophobicContact CD1-CB 4.31Å; L32-P276 HydrophobicContact CB-CG 4.32Å; L32-P276 HydrophobicContact CD1-CB 4.04Å; L32-P276 HydrophobicContact CD1-CG 3.63Å; L32-P276 HydrophobicContact CG-CG 3.74Å; L32-F278 HydrophobicContact CD1-CE2 4.29Å; L32-F278 HydrophobicContact CD1-CZ 3.95Å
33P90.6Very high89.5Confident86 Ų8657.2 Ų57.256%0.55826%0.262SS*.SBendtrans-74.7-0.8-177.132-35000113.1H173P33-H173 WeakPolarHBondContact CG-O 3.45Å
34F93.4Very high90Very high33 Ų3357 Ų5715%0.14526%0.261CS..SBendtrans-133.7159.2175.958.5-92.5000110.6L32 A36 M66 P146 I174 V176 L196L32-F34 HydrophobicContact CD1-CE2 4.26Å; L32-F34 HydrophobicContact CD1-CZ 4.2Å; L32-F34 PolarHBondContact O-N 2.61Å; F34-A36 HydrophobicContact CD2-CB 4.28Å; F34-A36 HydrophobicContact CE2-CB 4.34Å; F34-M66 HydrophobicContact CE2-SD 3.92Å; F34-M66 HydrophobicContact CZ-SD 4.37Å; F34-P146 HydrophobicContact CB-CG 4.15Å; F34-P146 HydrophobicContact CD1-CB 4.44Å; F34-P146 HydrophobicContact CD1-CG 4.24Å; F34-P146 HydrophobicContact CD2-CB 3.81Å; F34-P146 HydrophobicContact CD2-CG 3.72Å; F34-P146 HydrophobicContact CE1-CB 4.37Å; F34-P146 HydrophobicContact CE2-CB 3.71Å; F34-P146 HydrophobicContact CE2-CG 4.16Å; F34-P146 HydrophobicContact CG-CB 4.19Å; F34-P146 HydrophobicContact CG-CG 3.77Å; F34-P146 HydrophobicContact CZ-CB 4.01Å; F34-I174 HydrophobicContact CD1-CG2 4.25Å; F34-V176 HydrophobicContact CZ-CG2 3.99Å; F34-L196 HydrophobicContact CE1-CD1 3.83Å; F34-L196 HydrophobicContact CZ-CD1 4.46Å
35E93.5Very high90.5Very high116 Ų11655.2 Ų55.254%0.54225%0.252SS..  trans-108.2139.7170.6-68.1-169.4172.400109.5V320E35-V320 HydrophobicContact CB-CG2 3.59Å
36A96.2Very high91.2Very high3 Ų349.2 Ų49.23%0.02523%0.225CC..  trans-137.166.5-176.700000111.8F34 H38 I39 N65 M66 F278 G298F34-A36 HydrophobicContact CD2-CB 4.28Å; F34-A36 HydrophobicContact CE2-CB 4.34Å; A36-H38 PolarHBondContact O-N 3.44Å; A36-I39 HydrophobicContact CB-CG1 4.25Å; A36-I39 WeakPolarHBondContact O-CG1 3.49Å; A36-N65 HydrophobicContact CB-CB 4.29Å; A36-M66 HydrophobicContact CB-CB 3.69Å; A36-M66 HydrophobicContact CB-CE 4.45Å; A36-M66 HydrophobicContact CB-SD 4.37Å; A36-F278 HydrophobicContact CB-CE1 4.39Å; A36-F278 HydrophobicContact CB-CZ 4.49Å; A36-G298 WeakPolarHBondContact O-CA 3.42Å
37P97Very high91.8Very high0 Ų043.6 Ų43.60%020%0.2CC..SBendtrans-64.2-29.5177.224-31.3000113.1N65 S297 G298 V299 P318 V320P37-N65 VanDerWaalsContact CD-OD1 3.22Å; P37-N65 WeakPolarHBondContact CD-OD1 3.38Å; P37-N65 VanDerWaalsContact CG-OD1 3.29Å; P37-N65 WeakPolarHBondContact CG-OD1 3.41Å; P37-S297 WeakPolarHBondContact CA-O 3.35Å; P37-G298 VanDerWaalsContact O-CA 3.28Å; P37-G298 WeakPolarHBondContact O-CA 3.38Å; P37-V299 PolarHBondContact O-N 3.05Å; P37-P318 HydrophobicContact CB-CB 4.26Å; P37-P318 WeakPolarHBondContact CB-O 3.44Å; P37-V320 HydrophobicContact CG-CG2 4.1Å
38H98.1Very high92.3Very high2 Ų244.6 Ų44.61%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-112.3112.5178.3-174.6176.4000110.7A36 G63 N65 M66 P304 L307 T308 L311A36-H38 PolarHBondContact O-N 3.44Å; H38-G63 PolarHBondContact ND1-O 2.98Å; H38-N65 WeakPolarHBondContact CB-OD1 3.27Å; H38-N65 PolarHBondContact N-OD1 3.03Å; H38-N65 PolarHBondContact O-N 3.1Å; H38-M66 PolarHBondContact O-N 3.43Å; H38-P304 PolarHBondContact CE1-O 3.46Å; H38-P304 VanDerWaalsContact NE2-CA 3.32Å; H38-P304 WeakPolarHBondContact NE2-CA 3.2Å; H38-P304 WeakPolarHBondContact NE2-CB 3.26Å; H38-P304 PolarHBondContact NE2-O 3.41Å; H38-L307 HydrophobicContact CB-CD2 4.29Å; H38-T308 PolarHBondContact CE1-OG1 3.39Å; H38-T308 PolarHBondContact ND1-OG1 3.01Å; H38-L311 HydrophobicContact CB-CD1 4.08Å
39I98.4Very high93Very high0 Ų038.4 Ų38.40%018%0.181CC..EExtended strand (participates in β ladder)trans-119.1131.4179.2-47.8165.2000109.3A36 M66 E68 F278 V299 M300 T301A36-I39 HydrophobicContact CB-CG1 4.25Å; A36-I39 WeakPolarHBondContact O-CG1 3.49Å; I39-M66 VanDerWaalsContact CA-O 3.27Å; I39-M66 WeakPolarHBondContact CA-O 3.37Å; I39-M66 HydrophobicContact CB-CE 4.41Å; I39-M66 HydrophobicContact CD1-CE 3.48Å; I39-M66 VanDerWaalsContact CD1-CE 3.48Å; I39-M66 HydrophobicContact CG1-CB 4.23Å; I39-M66 HydrophobicContact CG1-CE 3.76Å; I39-M66 HydrophobicContact CG2-CB 4.29Å; I39-M66 HydrophobicContact CG2-CE 3.77Å; I39-M66 HydrophobicContact CG2-CG 4.42Å; I39-M66 WeakPolarHBondContact CG2-O 3.03Å; I39-E68 HydrophobicContact CG2-CB 4.23Å; I39-F278 HydrophobicContact CD1-CB 3.76Å; I39-F278 HydrophobicContact CD1-CD1 3.49Å; I39-F278 VanDerWaalsContact CD1-CD1 3.49Å; I39-F278 HydrophobicContact CD1-CD2 4.15Å; I39-F278 HydrophobicContact CD1-CE1 4.05Å; I39-F278 HydrophobicContact CD1-CG 3.54Å; I39-V299 WeakPolarHBondContact CB-O 3.5Å; I39-V299 PolarHBondContact N-O 2.85Å; I39-M300 HydrophobicContact CB-CB 4.01Å; I39-M300 HydrophobicContact CB-CG 4.36Å; I39-M300 HydrophobicContact CG2-CB 4.14Å; I39-M300 HydrophobicContact CG2-CE 4.01Å; I39-M300 HydrophobicContact CG2-CG 4.03Å; I39-M300 WeakPolarHBondContact O-CA 3.21Å; I39-T301 PolarHBondContact O-N 3.11Å
40S98.4Very high93.8Very high0 Ų035.2 Ų35.20%017%0.167CC..EExtended strand (participates in β ladder)trans-102.6107.5179.3-59.70000110.7R42 G43 S59 T64 M66 E68 P304S40-R42 PolarHBondContact O-N 3.25Å; S40-G43 PolarHBondContact O-N 3.44Å; S40-S59 WeakPolarHBondContact OG-CB 3.4Å; S40-T64 WeakPolarHBondContact OG-CB 3.38Å; S40-T64 WeakPolarHBondContact OG-CG2 3.32Å; S40-T64 PolarHBondContact OG-OG1 2.97Å; S40-M66 PolarHBondContact N-O 3.25Å; S40-E68 PolarHBondContact O-N 2.95Å; S40-P304 VanDerWaalsContact OG-CG 3.27Å; S40-P304 WeakPolarHBondContact OG-CG 3.41Å
41H98Very high94.8Very high8 Ų826.1 Ų26.14%0.03713%0.128CC..G310 helixtrans-61119176.8-175.8-123.2000109G43 G44 S45 E68 F116 V281 M300 T301 D302H41-G43 PolarHBondContact O-N 3Å; H41-G44 WeakPolarHBondContact O-CA 3.3Å; H41-G44 PolarHBondContact O-N 2.84Å; H41-S45 PolarHBondContact O-N 3.12Å; H41-S45 PolarHBondContact O-OG 2.9Å; H41-E68 IonicContact CD2-OE1 3.48Å; H41-E68 IonicContact CD2-OE2 3.17Å; H41-E68 PolarHBondContact CD2-OE2 3.42Å; H41-E68 IonicContact CG-OE2 3.28Å; H41-E68 IonicContact NE2-OE2 3.47Å; H41-F116 AromaticContact CE1-CD2 3.63Å; H41-F116 AromaticContact CE1-CE2 3.4Å; H41-F116 WeakPolarHBondContact CE1-CE2 3.18Å; H41-F116 AromaticContact NE2-CE2 3.82Å; H41-V281 HydrophobicContact CB-CG1 4.18Å; H41-M300 HydrophobicContact CB-CG 3.72Å; H41-M300 HydrophobicContact CB-SD 4.24Å; H41-T301 WeakPolarHBondContact CB-O 3.39Å; H41-T301 PolarHBondContact N-O 2.85Å; H41-D302 IonicContact CE1-OD1 3.85Å; H41-D302 IonicContact CG-OD1 3.45Å; H41-D302 IonicContact ND1-OD1 2.96Å; H41-D302 PolarHBondContact ND1-OD1 3.28Å
42R97.7Very high95.5Very high2 Ų218.2 Ų18.21%0.00810%0.098CC..G310 helixtrans50.231.1-175.4-47.5178.8-167.9161.410.1114.5S40 E50 N51 E68 D70 H83S40-R42 PolarHBondContact O-N 3.25Å; R42-E50 HydrophobicContact CB-CB 3.81Å; R42-E50 IonicContact CZ-OE2 2.65Å; R42-E50 IonicContact NH1-OE2 3.57Å; R42-E50 PolarHBondContact NH1-OE2 2.61Å; R42-N51 PolarHBondContact O-N 2.8Å; R42-E68 WeakPolarHBondContact CA-O 3.4Å; R42-E68 PolarHBondContact N-O 3.04Å; R42-E68 PolarHBondContact N-OE2 3.05Å; R42-D70 IonicContact NE-OD2 3.92Å; R42-H83 PolarHBondContact NH2-CD2 2.89Å; R42-H83 PolarHBondContact NH2-NE2 2.97Å; R42-H83 VanDerWaalsContact NH2-NE2 3.17Å
43G97.1Very high95.9Very high2 Ų219.1 Ų19.12%0.02110%0.103CC..G310 helixtrans80.410.2-176.100000115.2S40 H41 A55 F56 S59S40-G43 PolarHBondContact O-N 3.44Å; H41-G43 PolarHBondContact O-N 3Å; G43-A55 CarbonylContact O-C 3.26Å; G43-F56 VanDerWaalsContact CA-CE1 3.4Å; G43-F56 VanDerWaalsContact N-CE1 3.28Å; G43-S59 WeakPolarHBondContact O-CB 3.45Å
44G96.5Very high96.1Very high1 Ų117.4 Ų17.41%0.019%0.087CC..THydrogen-bonded Turntrans97.157-177.700000112.3H41 G46 E47 Q48 D302H41-G44 WeakPolarHBondContact O-CA 3.3Å; H41-G44 PolarHBondContact O-N 2.84Å; G44-G46 PolarHBondContact O-N 2.88Å; G44-E47 PolarHBondContact O-N 2.78Å; G44-Q48 PolarHBondContact O-N 3.49Å; G44-D302 CarbonylContact C-O 3.45Å; G44-D302 WeakPolarHBondContact CA-O 3.34Å
45S95.2Very high96.2Very high7 Ų715.9 Ų15.95%0.0498%0.08CC..THydrogen-bonded Turntrans-59-11.9-174.5230000116.2H41 Q48 C122 D302H41-S45 PolarHBondContact O-N 3.12Å; H41-S45 PolarHBondContact O-OG 2.9Å; S45-Q48 CarbonylContact C-O 3.54Å; S45-Q48 WeakPolarHBondContact CA-O 3.49Å; S45-C122 WeakPolarHBondContact O-CB 3.49Å; S45-D302 PolarHBondContact N-O 3.41Å; S45-D302 PolarHBondContact OG-OD1 2.85Å
46G94.9Very high96.4Very high12 Ų1210.3 Ų10.312%0.1245%0.054CC..THydrogen-bonded Turntrans-87-15.2173.400000114G44 D302 Y303G44-G46 PolarHBondContact O-N 2.88Å; G46-D302 VanDerWaalsContact CA-O 3.26Å; G46-D302 WeakPolarHBondContact CA-O 3.32Å; G46-D302 PolarHBondContact N-O 2.91Å; G46-Y303 WeakPolarHBondContact O-CE1 3.25Å
47E94.6Very high96.4Very high38 Ų3811.7 Ų11.718%0.1786%0.064CC..THydrogen-bonded Turntrans-117.5-27.6-176.6-62.9-174.6-15900113.3G44 Y303 P304 R305G44-E47 PolarHBondContact O-N 2.78Å; E47-Y303 HydrophobicContact CG-CD1 4.13Å; E47-Y303 WeakPolarHBondContact OE1-CA 3.31Å; E47-P304 WeakPolarHBondContact OE1-CD 3.37Å; E47-P304 VanDerWaalsContact OE1-N 3.15Å; E47-R305 VanDerWaalsContact OE1-CB 3.27Å; E47-R305 WeakPolarHBondContact OE1-CB 3.45Å; E47-R305 PolarHBondContact OE1-N 3.48Å; E47-R305 IonicContact OE1-NH1 3.6Å; E47-R305 IonicContact OE2-CZ 3.76Å; E47-R305 IonicContact OE2-NH1 3.13Å; E47-R305 PolarHBondContact OE2-NH1 3.28Å; E47-R305 IonicContact OE2-NH2 2.75Å
48Q94.6Very high96.3Very high49 Ų4912.9 Ų12.923%0.2297%0.072CC..SBendtrans-142.5162.7176.7-71-63.6-20.900110.3G44 S45 E50 A55 C122G44-Q48 PolarHBondContact O-N 3.49Å; S45-Q48 CarbonylContact C-O 3.54Å; S45-Q48 WeakPolarHBondContact CA-O 3.49Å; Q48-E50 PolarHBondContact O-N 3.38Å; Q48-A55 HydrophobicContact CB-CB 3.56Å; Q48-C122 WeakPolarHBondContact CA-SG 3.45Å; Q48-C122 PolarHBondContact O-SG 3.11Å; Q48-C122 VanDerWaalsContact O-SG 3.41Å
49I94.9Very high96.3Very high0 Ų012.9 Ų12.90%07%0.072CC..  trans-60.1124.8-179.9-61.7-61.5000109.8T52 A55 Y108 I112 C122 T124I49-T52 HydrophobicContact CB-CG2 3.93Å; I49-T52 HydrophobicContact CG2-CG2 3.68Å; I49-T52 WeakPolarHBondContact O-CB 3.29Å; I49-T52 WeakPolarHBondContact O-CG2 3.44Å; I49-T52 PolarHBondContact O-N 3.45Å; I49-T52 PolarHBondContact O-OG1 2.84Å; I49-A55 VanDerWaalsContact O-CB 3.3Å; I49-A55 WeakPolarHBondContact O-CB 3.45Å; I49-Y108 HydrophobicContact CG2-CD1 3.67Å; I49-Y108 HydrophobicContact CG2-CD2 3.76Å; I49-Y108 HydrophobicContact CG2-CE1 4.13Å; I49-Y108 HydrophobicContact CG2-CE2 4.22Å; I49-Y108 HydrophobicContact CG2-CG 3.47Å; I49-Y108 VanDerWaalsContact CG2-CG 3.47Å; I49-I112 HydrophobicContact CD1-CD1 3.92Å; I49-I112 HydrophobicContact CD1-CG1 4.13Å; I49-I112 HydrophobicContact CG2-CD1 3.99Å; I49-C122 HydrophobicContact CD1-CB 4.5Å; I49-C122 PolarHBondContact N-SG 3.22Å; I49-T124 HydrophobicContact CD1-CG2 3.91Å; I49-T124 HydrophobicContact CG1-CG2 3.32Å
50E95.7Very high96.3Very high7 Ų716.2 Ų16.23%0.0339%0.09CC..THydrogen-bonded Turntrans-50.8142.2-175.967.9179.3-15900113R42 Q48 T52 R89 S90 Y108R42-E50 HydrophobicContact CB-CB 3.81Å; R42-E50 IonicContact CZ-OE2 2.65Å; R42-E50 IonicContact NH1-OE2 3.57Å; R42-E50 PolarHBondContact NH1-OE2 2.61Å; Q48-E50 PolarHBondContact O-N 3.38Å; E50-T52 PolarHBondContact O-N 3.27Å; E50-T52 VanDerWaalsContact O-N 3.13Å; E50-R89 IonicContact OE1-CZ 3.84Å; E50-R89 IonicContact OE1-NH1 3.56Å; E50-R89 PolarHBondContact OE1-NH1 3.18Å; E50-R89 IonicContact OE1-NH2 3.83Å; E50-R89 PolarHBondContact OE1-NH2 3.12Å; E50-R89 IonicContact OE2-CZ 3.1Å; E50-R89 IonicContact OE2-NH1 3.87Å; E50-R89 PolarHBondContact OE2-NH1 2.61Å; E50-R89 IonicContact OE2-NH2 2.87Å; E50-R89 PolarHBondContact OE2-NH2 3.08Å; E50-S90 PolarHBondContact OE1-OG 3.23Å; E50-Y108 HydrophobicContact CG-CE1 4.21Å; E50-Y108 PolarHBondContact O-OH 3.3Å; E50-Y108 VanDerWaalsContact O-OH 3.13Å
51N96.8Very high96.2Very high0 Ų023.7 Ų23.70%013%0.129CC..THydrogen-bonded Turntrans56.326.3175.3-70.3-45.6000115.2R42 T69 D70 I81R42-N51 PolarHBondContact O-N 2.8Å; N51-T69 WeakPolarHBondContact OD1-CB 3.38Å; N51-T69 PolarHBondContact OD1-OG1 2.85Å; N51-D70 PolarHBondContact ND2-OD2 2.8Å; N51-D70 VanDerWaalsContact ND2-OD2 3.1Å; N51-I81 HydrophobicContact CB-CB 4.33Å; N51-I81 HydrophobicContact CB-CG1 4.36Å; N51-I81 WeakPolarHBondContact CB-O 3.33Å; N51-I81 WeakPolarHBondContact O-CD1 3.47Å; N51-I81 WeakPolarHBondContact O-CG1 3.48Å
52T95.9Very high96.1Very high0 Ų024.7 Ų24.70%014%0.135CC..  trans-99.9150.717262.80000111.8I49 E50 E54 A55 F56 Y108 S129I49-T52 HydrophobicContact CB-CG2 3.93Å; I49-T52 HydrophobicContact CG2-CG2 3.68Å; I49-T52 WeakPolarHBondContact O-CB 3.29Å; I49-T52 WeakPolarHBondContact O-CG2 3.44Å; I49-T52 PolarHBondContact O-N 3.45Å; I49-T52 PolarHBondContact O-OG1 2.84Å; E50-T52 PolarHBondContact O-N 3.27Å; E50-T52 VanDerWaalsContact O-N 3.13Å; T52-E54 PolarHBondContact O-N 3.17Å; T52-A55 WeakPolarHBondContact O-CB 3.09Å; T52-A55 PolarHBondContact O-N 2.92Å; T52-A55 VanDerWaalsContact O-N 3.1Å; T52-A55 WeakPolarHBondContact OG1-CB 3.46Å; T52-A55 PolarHBondContact OG1-N 3.46Å; T52-A55 VanDerWaalsContact OG1-N 3.17Å; T52-F56 WeakPolarHBondContact O-CD2 3.45Å; T52-F56 WeakPolarHBondContact O-CE2 3.25Å; T52-F56 PolarHBondContact O-N 2.92Å; T52-Y108 HydrophobicContact CG2-CD2 3.91Å; T52-Y108 HydrophobicContact CG2-CE2 3.75Å; T52-S129 VanDerWaalsContact CG2-O 3.22Å; T52-S129 WeakPolarHBondContact CG2-O 3.45Å
53L96Very high96Very high36 Ų3626.3 Ų26.319%0.18815%0.153CC..Hα-helixtrans-61.4-28.5177.2-64.8177.2000112.3S57 A133 D137 L138 K141 F142L53-S57 WeakPolarHBondContact O-CB 3.23Å; L53-S57 PolarHBondContact O-N 3.38Å; L53-S57 PolarHBondContact O-OG 3.02Å; L53-A133 HydrophobicContact CD2-CB 4.29Å; L53-A133 HydrophobicContact CG-CB 3.98Å; L53-D137 HydrophobicContact CD1-CB 4.11Å; L53-L138 HydrophobicContact CD2-CB 4.14Å; L53-L138 HydrophobicContact CD2-CD1 3.85Å; L53-K141 HydrophobicContact CB-CD 4.1Å; L53-K141 HydrophobicContact CD1-CD 4.27Å; L53-K141 HydrophobicContact CD2-CD 4.32Å; L53-K141 HydrophobicContact CG-CD 4.46Å; L53-F142 HydrophobicContact CD2-CE2 4.44Å
54E94.7Very high96.1Very high50 Ų5026.5 Ų26.523%0.23415%0.153CC..Hα-helixtrans-67.7-43.2174.2-70.581.1178.300111.9T52 S57 S58 S128 S129T52-E54 PolarHBondContact O-N 3.17Å; E54-S57 PolarHBondContact O-N 3.22Å; E54-S58 WeakPolarHBondContact O-CB 2.99Å; E54-S58 PolarHBondContact O-N 3.38Å; E54-S128 VanDerWaalsContact OE1-C 3.29Å; E54-S128 WeakPolarHBondContact OE1-CB 3.14Å; E54-S128 PolarHBondContact OE1-OG 3.47Å; E54-S129 WeakPolarHBondContact CB-OG 3.34Å; E54-S129 WeakPolarHBondContact CG-OG 2.77Å
55A96Very high96.1Very high0 Ų027.5 Ų27.50%016%0.159CC..Hα-helixtrans-58-52.1174.900000111G43 Q48 I49 T52 S57 S58 S59G43-A55 CarbonylContact O-C 3.26Å; Q48-A55 HydrophobicContact CB-CB 3.56Å; I49-A55 VanDerWaalsContact O-CB 3.3Å; I49-A55 WeakPolarHBondContact O-CB 3.45Å; T52-A55 WeakPolarHBondContact O-CB 3.09Å; T52-A55 PolarHBondContact O-N 2.92Å; T52-A55 VanDerWaalsContact O-N 3.1Å; T52-A55 WeakPolarHBondContact OG1-CB 3.46Å; T52-A55 PolarHBondContact OG1-N 3.46Å; T52-A55 VanDerWaalsContact OG1-N 3.17Å; A55-S57 VanDerWaalsContact C-N 3.31Å; A55-S57 PolarHBondContact O-N 3.1Å; A55-S58 PolarHBondContact O-N 3.17Å; A55-S59 WeakPolarHBondContact O-CB 3.48Å; A55-S59 PolarHBondContact O-N 2.97Å
56F97.5Very high96.3Very high0 Ų027.2 Ų27.20%016%0.156CC..Hα-helixtrans-61-37.1176.8-60.4-65.4000113.1G43 T52 S59 L60 F67 I81 L138 F142G43-F56 VanDerWaalsContact CA-CE1 3.4Å; G43-F56 VanDerWaalsContact N-CE1 3.28Å; T52-F56 WeakPolarHBondContact O-CD2 3.45Å; T52-F56 WeakPolarHBondContact O-CE2 3.25Å; T52-F56 PolarHBondContact O-N 2.92Å; F56-S59 PolarHBondContact O-OG 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 3.13Å; F56-F67 HydrophobicContact CB-CD1 4.5Å; F56-F67 HydrophobicContact CB-CD2 4.2Å; F56-F67 HydrophobicContact CB-CE1 4.22Å; F56-F67 HydrophobicContact CB-CE2 3.88Å; F56-F67 HydrophobicContact CB-CG 4.5Å; F56-F67 HydrophobicContact CB-CZ 3.89Å; F56-F67 HydrophobicContact CD1-CB 3.68Å; F56-F67 AromaticContact CD1-CD1 3.75Å; F56-F67 HydrophobicContact CD1-CD1 3.75Å; F56-F67 AromaticContact CD1-CD2 3.75Å; F56-F67 HydrophobicContact CD1-CD2 3.75Å; F56-F67 HydrophobicContact CD1-CE1 4.31Å; F56-F67 HydrophobicContact CD1-CE2 4.29Å; F56-F67 AromaticContact CD1-CG 3.45Å; F56-F67 HydrophobicContact CD1-CG 3.45Å; F56-F67 VanDerWaalsContact CD1-CG 3.45Å; F56-F67 HydrophobicContact CE1-CB 3.74Å; F56-F67 HydrophobicContact CE1-CG 4.07Å; F56-F67 HydrophobicContact CG-CD2 4.19Å; F56-F67 HydrophobicContact CG-CE2 4.37Å; F56-F67 HydrophobicContact CG-CG 4.3Å; F56-F67 WeakPolarHBondContact O-CZ 3.45Å; F56-I81 HydrophobicContact CD2-CD1 4.46Å; F56-I81 HydrophobicContact CE2-CD1 3.56Å; F56-I81 HydrophobicContact CZ-CD1 4.22Å; F56-L138 HydrophobicContact CB-CD1 4.17Å; F56-L138 HydrophobicContact CD1-CD1 4.37Å; F56-L138 HydrophobicContact CD2-CD1 3.27Å; F56-L138 HydrophobicContact CE2-CD1 3.7Å; F56-L138 HydrophobicContact CE2-CD2 4.34Å; F56-L138 HydrophobicContact CG-CD1 3.68Å; F56-L138 HydrophobicContact CZ-CD1 4.37Å; F56-L138 HydrophobicContact CZ-CD2 4.41Å; F56-F142 HydrophobicContact CB-CD2 4.42Å; F56-F142 HydrophobicContact CB-CE2 3.64Å; F56-F142 HydrophobicContact CB-CZ 3.85Å
57S96.7Very high96.5Very high31 Ų3126.6 Ų26.622%0.21715%0.151CC..Hα-helixtrans-64.6-46.9175.6-55.40000111L53 E54 A55 L60 L61 K141 F142L53-S57 WeakPolarHBondContact O-CB 3.23Å; L53-S57 PolarHBondContact O-N 3.38Å; L53-S57 PolarHBondContact O-OG 3.02Å; E54-S57 PolarHBondContact O-N 3.22Å; A55-S57 VanDerWaalsContact C-N 3.31Å; A55-S57 PolarHBondContact O-N 3.1Å; S57-L60 PolarHBondContact O-N 2.98Å; S57-L61 WeakPolarHBondContact O-CG 3.34Å; S57-L61 PolarHBondContact O-N 3.49Å; S57-L61 VanDerWaalsContact O-N 3.16Å; S57-K141 VanDerWaalsContact OG-CE 3.26Å; S57-K141 WeakPolarHBondContact OG-CE 3.33Å; S57-K141 PolarHBondContact OG-NZ 2.85Å; S57-F142 WeakPolarHBondContact OG-CZ 3.19Å
58S95.6Very high96.7Very high26 Ų2625.3 Ų25.318%0.18215%0.145CC..Hα-helixtrans-63.5-41.1179.6-177.60000111.6E54 A55 L61 V62E54-S58 WeakPolarHBondContact O-CB 2.99Å; E54-S58 PolarHBondContact O-N 3.38Å; A55-S58 PolarHBondContact O-N 3.17Å; S58-L61 PolarHBondContact O-N 3.43Å; S58-V62 PolarHBondContact O-N 2.84Å
59S97.4Very high96.9Very high1 Ų123 Ų231%0.00713%0.134CC..Hα-helixtrans-68.1-41.2179.481.20000111.4S40 G43 A55 F56 L61 V62 G63 T64 F67S40-S59 WeakPolarHBondContact OG-CB 3.4Å; G43-S59 WeakPolarHBondContact O-CB 3.45Å; A55-S59 WeakPolarHBondContact O-CB 3.48Å; A55-S59 PolarHBondContact O-N 2.97Å; F56-S59 PolarHBondContact O-OG 3.3Å; S59-L61 VanDerWaalsContact C-N 3.3Å; S59-L61 PolarHBondContact O-N 3.19Å; S59-V62 WeakPolarHBondContact O-CG2 3.3Å; S59-V62 PolarHBondContact O-N 2.75Å; S59-V62 VanDerWaalsContact O-N 3.08Å; S59-G63 PolarHBondContact O-N 3.49Å; S59-T64 WeakPolarHBondContact CB-OG1 3.43Å; S59-T64 WeakPolarHBondContact O-CB 3.15Å; S59-T64 PolarHBondContact O-N 3.05Å; S59-T64 PolarHBondContact O-OG1 3.26Å; S59-T64 PolarHBondContact OG-OG1 3.33Å; S59-F67 VanDerWaalsContact OG-CE1 3.31Å; S59-F67 WeakPolarHBondContact OG-CE1 3.23Å
60L97.2Very high97Very high70 Ų7023 Ų2337%0.36613%0.134SC..Hα-helixtrans-59-41.1175.2-166.266.2000112.2F56 S57 V62 G63 F67 F142 T145F56-L60 WeakPolarHBondContact O-CB 3.32Å; F56-L60 PolarHBondContact O-N 3.13Å; S57-L60 PolarHBondContact O-N 2.98Å; L60-V62 PolarHBondContact O-N 2.86Å; L60-G63 PolarHBondContact O-N 2.79Å; L60-F67 HydrophobicContact CB-CE1 4.32Å; L60-F67 HydrophobicContact CB-CZ 4.07Å; L60-F67 HydrophobicContact CD1-CE1 4.47Å; L60-F67 HydrophobicContact CD1-CZ 4.18Å; L60-F142 HydrophobicContact CD2-CD1 3.89Å; L60-F142 HydrophobicContact CD2-CE1 3.92Å; L60-T145 HydrophobicContact CD1-CG2 4.16Å
61L97.1Very high97.1Very high158 Ų15822.7 Ų22.783%0.82713%0.132SC*.Hα-helixtrans-61.4-25.4177.4-72.3174.2000113.6S57 S58 S59S57-L61 WeakPolarHBondContact O-CG 3.34Å; S57-L61 PolarHBondContact O-N 3.49Å; S57-L61 VanDerWaalsContact O-N 3.16Å; S58-L61 PolarHBondContact O-N 3.43Å; S59-L61 VanDerWaalsContact C-N 3.3Å; S59-L61 PolarHBondContact O-N 3.19Å
62V96.4Very high97.2Very high28 Ų2823 Ų2317%0.1713%0.134CC..THydrogen-bonded Turntrans-96.33.9176.4-58.90000113S58 S59 L60 P304 R305 T308S58-V62 PolarHBondContact O-N 2.84Å; S59-V62 WeakPolarHBondContact O-CG2 3.3Å; S59-V62 PolarHBondContact O-N 2.75Å; S59-V62 VanDerWaalsContact O-N 3.08Å; L60-V62 PolarHBondContact O-N 2.86Å; V62-P304 HydrophobicContact CG2-CB 3.64Å; V62-R305 HydrophobicContact CG1-CB 4.38Å; V62-T308 WeakPolarHBondContact O-CB 3.4Å; V62-T308 WeakPolarHBondContact O-CG2 3.15Å; V62-T308 PolarHBondContact O-OG1 3.17Å
63G96.2Very high97.2Very high36 Ų3624 Ų2437%0.37114%0.139SC..THydrogen-bonded Turntrans99.327.3171.600000115.2H38 S59 L60H38-G63 PolarHBondContact ND1-O 2.98Å; S59-G63 PolarHBondContact O-N 3.49Å; L60-G63 PolarHBondContact O-N 2.79Å
64T97.9Very high97.3Very high6 Ų622.4 Ų22.44%0.03713%0.131CC..  trans-60134.4168.4-59.90000111.3S40 S59 M66 F67S40-T64 WeakPolarHBondContact OG-CB 3.38Å; S40-T64 WeakPolarHBondContact OG-CG2 3.32Å; S40-T64 PolarHBondContact OG-OG1 2.97Å; S59-T64 WeakPolarHBondContact CB-OG1 3.43Å; S59-T64 WeakPolarHBondContact O-CB 3.15Å; S59-T64 PolarHBondContact O-N 3.05Å; S59-T64 PolarHBondContact O-OG1 3.26Å; S59-T64 PolarHBondContact OG-OG1 3.33Å; T64-M66 WeakPolarHBondContact CG2-O 3.46Å; T64-F67 HydrophobicContact CG2-CD1 3.68Å; T64-F67 HydrophobicContact CG2-CE1 3.82Å
65N97.9Very high97.5Very high23 Ų2326.6 Ų26.612%0.12315%0.148CC..SBendtrans-99.8-24.4176.8-54123.8000113.3A36 P37 H38 P146 V320A36-N65 HydrophobicContact CB-CB 4.29Å; P37-N65 VanDerWaalsContact CD-OD1 3.22Å; P37-N65 WeakPolarHBondContact CD-OD1 3.38Å; P37-N65 VanDerWaalsContact CG-OD1 3.29Å; P37-N65 WeakPolarHBondContact CG-OD1 3.41Å; H38-N65 WeakPolarHBondContact CB-OD1 3.27Å; H38-N65 PolarHBondContact N-OD1 3.03Å; H38-N65 PolarHBondContact O-N 3.1Å; N65-P146 VanDerWaalsContact O-CD 3.25Å; N65-P146 WeakPolarHBondContact O-CD 3.43Å; N65-P146 WeakPolarHBondContact O-CG 3.39Å; N65-V320 PolarHBondContact ND2-O 3.03Å
66M98.4Very high97.6Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-144.1137.7175.4-178170.375.600110.6F34 A36 H38 I39 S40 T64 P146 N148 F278F34-M66 HydrophobicContact CE2-SD 3.92Å; F34-M66 HydrophobicContact CZ-SD 4.37Å; A36-M66 HydrophobicContact CB-CB 3.69Å; A36-M66 HydrophobicContact CB-CE 4.45Å; A36-M66 HydrophobicContact CB-SD 4.37Å; H38-M66 PolarHBondContact O-N 3.43Å; I39-M66 VanDerWaalsContact CA-O 3.27Å; I39-M66 WeakPolarHBondContact CA-O 3.37Å; I39-M66 HydrophobicContact CB-CE 4.41Å; I39-M66 HydrophobicContact CD1-CE 3.48Å; I39-M66 VanDerWaalsContact CD1-CE 3.48Å; I39-M66 HydrophobicContact CG1-CB 4.23Å; I39-M66 HydrophobicContact CG1-CE 3.76Å; I39-M66 HydrophobicContact CG2-CB 4.29Å; I39-M66 HydrophobicContact CG2-CE 3.77Å; I39-M66 HydrophobicContact CG2-CG 4.42Å; I39-M66 WeakPolarHBondContact CG2-O 3.03Å; S40-M66 PolarHBondContact N-O 3.25Å; T64-M66 WeakPolarHBondContact CG2-O 3.46Å; M66-P146 WeakPolarHBondContact CA-O 3.32Å; M66-P146 HydrophobicContact CB-CB 4.04Å; M66-P146 HydrophobicContact CG-CB 3.93Å; M66-P146 WeakPolarHBondContact CG-O 3.3Å; M66-P146 HydrophobicContact SD-CB 4.41Å; M66-N148 HydrophobicContact CE-CB 3.97Å; M66-N148 HydrophobicContact CG-CB 4.49Å; M66-N148 HydrophobicContact SD-CB 4.07Å; M66-F278 HydrophobicContact CE-CD2 4.04Å; M66-F278 HydrophobicContact CE-CE2 3.81Å; M66-F278 HydrophobicContact CE-CZ 4.18Å
67F98.7Very high97.5Very high0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-87.4146.6169.3-56.2-33.7000110F56 S59 L60 T64 F142 T145 P146 I147 N148F56-F67 HydrophobicContact CB-CD1 4.5Å; F56-F67 HydrophobicContact CB-CD2 4.2Å; F56-F67 HydrophobicContact CB-CE1 4.22Å; F56-F67 HydrophobicContact CB-CE2 3.88Å; F56-F67 HydrophobicContact CB-CG 4.5Å; F56-F67 HydrophobicContact CB-CZ 3.89Å; F56-F67 HydrophobicContact CD1-CB 3.68Å; F56-F67 AromaticContact CD1-CD1 3.75Å; F56-F67 HydrophobicContact CD1-CD1 3.75Å; F56-F67 AromaticContact CD1-CD2 3.75Å; F56-F67 HydrophobicContact CD1-CD2 3.75Å; F56-F67 HydrophobicContact CD1-CE1 4.31Å; F56-F67 HydrophobicContact CD1-CE2 4.29Å; F56-F67 AromaticContact CD1-CG 3.45Å; F56-F67 HydrophobicContact CD1-CG 3.45Å; F56-F67 VanDerWaalsContact CD1-CG 3.45Å; F56-F67 HydrophobicContact CE1-CB 3.74Å; F56-F67 HydrophobicContact CE1-CG 4.07Å; F56-F67 HydrophobicContact CG-CD2 4.19Å; F56-F67 HydrophobicContact CG-CE2 4.37Å; F56-F67 HydrophobicContact CG-CG 4.3Å; F56-F67 WeakPolarHBondContact O-CZ 3.45Å; S59-F67 VanDerWaalsContact OG-CE1 3.31Å; S59-F67 WeakPolarHBondContact OG-CE1 3.23Å; L60-F67 HydrophobicContact CB-CE1 4.32Å; L60-F67 HydrophobicContact CB-CZ 4.07Å; L60-F67 HydrophobicContact CD1-CE1 4.47Å; L60-F67 HydrophobicContact CD1-CZ 4.18Å; T64-F67 HydrophobicContact CG2-CD1 3.68Å; T64-F67 HydrophobicContact CG2-CE1 3.82Å; F67-F142 HydrophobicContact CE2-CB 3.96Å; F67-F142 AromaticContact CE2-CD1 3.96Å; F67-F142 HydrophobicContact CE2-CD1 3.96Å; F67-F142 AromaticContact CE2-CD2 3.84Å; F67-F142 HydrophobicContact CE2-CD2 3.84Å; F67-F142 HydrophobicContact CE2-CE1 4.37Å; F67-F142 HydrophobicContact CE2-CE2 4.26Å; F67-F142 AromaticContact CE2-CG 3.65Å; F67-F142 HydrophobicContact CE2-CG 3.65Å; F67-F142 HydrophobicContact CE2-CZ 4.5Å; F67-F142 HydrophobicContact CZ-CD1 4.18Å; F67-F142 HydrophobicContact CZ-CE1 4.3Å; F67-F142 HydrophobicContact CZ-CG 4.33Å; F67-T145 HydrophobicContact CD1-CG2 4.35Å; F67-T145 HydrophobicContact CD2-CG2 3.94Å; F67-T145 HydrophobicContact CE1-CG2 4.07Å; F67-T145 HydrophobicContact CE2-CG2 3.64Å; F67-T145 HydrophobicContact CG-CG2 4.29Å; F67-T145 HydrophobicContact CZ-CG2 3.72Å; F67-P146 PolarHBondContact N-O 2.93Å; F67-I147 HydrophobicContact CB-CG1 4.28Å; F67-I147 HydrophobicContact CD2-CD1 4.49Å; F67-I147 HydrophobicContact CD2-CG1 4.14Å; F67-I147 CarbonylContact O-C 3.34Å; F67-I147 WeakPolarHBondContact O-CA 3.39Å; F67-N148 PolarHBondContact O-N 3Å
68E98.5Very high97.6Very high11 Ų1134.8 Ų34.85%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-113.4141.8162.5-179.9-84.5176.500109.1I39 S40 H41 R42 N148 M300I39-E68 HydrophobicContact CG2-CB 4.23Å; S40-E68 PolarHBondContact O-N 2.95Å; H41-E68 IonicContact CD2-OE1 3.48Å; H41-E68 IonicContact CD2-OE2 3.17Å; H41-E68 PolarHBondContact CD2-OE2 3.42Å; H41-E68 IonicContact CG-OE2 3.28Å; H41-E68 IonicContact NE2-OE2 3.47Å; R42-E68 WeakPolarHBondContact CA-O 3.4Å; R42-E68 PolarHBondContact N-O 3.04Å; R42-E68 PolarHBondContact N-OE2 3.05Å; E68-N148 CarbonylContact C-O 3.56Å; E68-N148 WeakPolarHBondContact CA-O 3.3Å; E68-N148 HydrophobicContact CB-CB 4.24Å; E68-N148 HydrophobicContact CG-CB 4.29Å; E68-M300 HydrophobicContact CB-CE 3.78Å; E68-M300 HydrophobicContact CB-SD 4.08Å; E68-M300 HydrophobicContact CG-CE 3.64Å; E68-M300 HydrophobicContact CG-SD 3.89Å
69T98.5Very high97.7Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-154.1165.6-178-164.40000111.3N51 I81 L138 I147 N148 I149 D150N51-T69 WeakPolarHBondContact OD1-CB 3.38Å; N51-T69 PolarHBondContact OD1-OG1 2.85Å; T69-I81 HydrophobicContact CG2-CG2 4Å; T69-I81 VanDerWaalsContact OG1-CB 3.32Å; T69-I81 WeakPolarHBondContact OG1-CB 3.29Å; T69-I81 WeakPolarHBondContact OG1-CG2 3.32Å; T69-L138 HydrophobicContact CG2-CD2 4.25Å; T69-I147 HydrophobicContact CG2-CG2 3.94Å; T69-N148 PolarHBondContact N-O 3.27Å; T69-I149 HydrophobicContact CG2-CG1 4.1Å; T69-I149 WeakPolarHBondContact O-CA 3.44Å; T69-D150 PolarHBondContact O-N 2.77Å
70D98Very high97.8Very high0 Ų033.8 Ų33.80%018%0.18CC..EExtended strand (participates in β ladder)trans-124.9135.2-171-50.5-78.4000109.1R42 N51 I81 F82 H83 D150 K152R42-D70 IonicContact NE-OD2 3.92Å; N51-D70 PolarHBondContact ND2-OD2 2.8Å; N51-D70 VanDerWaalsContact ND2-OD2 3.1Å; D70-I81 CarbonylContact O-C 3.52Å; D70-I81 WeakPolarHBondContact O-CA 3.33Å; D70-F82 CarbonylContact C-O 3.53Å; D70-F82 WeakPolarHBondContact CB-O 3.21Å; D70-F82 PolarHBondContact O-N 3.02Å; D70-H83 HydrophobicContact CB-CB 4.41Å; D70-H83 IonicContact OD1-CD2 3.78Å; D70-H83 WeakPolarHBondContact OD2-CB 3.28Å; D70-H83 IonicContact OD2-CD2 3.78Å; D70-H83 IonicContact OD2-CG 3.55Å; D70-D150 WeakPolarHBondContact CA-O 3.37Å; D70-K152 HydrophobicContact CB-CG 4.18Å; D70-K152 VanDerWaalsContact CG-CE 3.41Å; D70-K152 WeakPolarHBondContact OD1-CE 3.15Å; D70-K152 IonicContact OD1-NZ 2.85Å; D70-K152 PolarHBondContact OD1-NZ 3.2Å
71C98.1Very high97.8Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-113.1138.3-177.1-73.90000113.8V79 V80 I149 D150 I151 L158 V162C71-V79 HydrophobicContact CB-CG1 4.13Å; C71-V80 WeakPolarHBondContact CA-O 3.45Å; C71-I149 HydrophobicContact CB-CG2 4.24Å; C71-I149 WeakPolarHBondContact SG-CG2 3.39Å; C71-D150 PolarHBondContact N-O 2.87Å; C71-I151 HydrophobicContact CB-CD1 4.18Å; C71-L158 HydrophobicContact CB-CD1 4.4Å; C71-V162 HydrophobicContact CB-CG2 4.27Å
72H97.7Very high97.8Very high8 Ų823 Ų234%0.03712%0.123CC..EExtended strand (participates in β ladder)trans-132.6170.9167.2-67.3-87000111.2V79 V80 F82 H83 D84 V97 K152 V153H72-V79 WeakPolarHBondContact O-CA 3.4Å; H72-V80 HydrophobicContact CB-CG2 4.27Å; H72-V80 PolarHBondContact N-O 3.22Å; H72-V80 PolarHBondContact O-N 3.16Å; H72-F82 PolarHBondContact CD2-O 3.04Å; H72-F82 PolarHBondContact NE2-O 3.49Å; H72-H83 PolarHBondContact NE2-O 3.16Å; H72-D84 PolarHBondContact NE2-O 3.23Å; H72-D84 VanDerWaalsContact NE2-O 3.09Å; H72-V97 HydrophobicContact CB-CB 4.31Å; H72-V97 HydrophobicContact CB-CG1 4.02Å; H72-K152 VanDerWaalsContact CE1-CB 3.42Å; H72-K152 WeakPolarHBondContact CE1-CB 3.47Å; H72-V153 WeakPolarHBondContact ND1-CG2 3.39Å
73L97.5Very high97.8Very high21 Ų2122.2 Ų22.211%0.1112%0.118CC..EExtended strand (participates in β ladder)trans-111.5135176.9-161.872.2000110.2N77 V79 K98 F157 L158L73-N77 HydrophobicContact CD1-CB 4.41Å; L73-N77 WeakPolarHBondContact CD2-OD1 3.27Å; L73-V79 HydrophobicContact CD1-CG2 4.24Å; L73-K98 VanDerWaalsContact O-CA 3.27Å; L73-K98 WeakPolarHBondContact O-CA 3.28Å; L73-K98 PolarHBondContact O-N 3.32Å; L73-F157 HydrophobicContact CD1-CD1 3.91Å; L73-F157 HydrophobicContact CD1-CE1 4.01Å; L73-F157 HydrophobicContact CD2-CD1 3.58Å; L73-F157 HydrophobicContact CD2-CE1 4.24Å; L73-F157 HydrophobicContact CD2-CG 4.35Å; L73-F157 HydrophobicContact CG-CD1 4.42Å; L73-L158 HydrophobicContact CB-CD1 4.35Å; L73-L158 HydrophobicContact CD1-CD1 4.47Å
74T97.8Very high97.7Very high2 Ų221.8 Ų21.81%0.01211%0.107CC..  trans-79.4171.6169.162.70000111.4D76 N77 Q78 V80 V97 F100 L105T74-D76 VanDerWaalsContact CB-OD1 3.27Å; T74-D76 WeakPolarHBondContact CB-OD1 3.33Å; T74-D76 PolarHBondContact O-N 3.18Å; T74-D76 PolarHBondContact OG1-OD1 2.98Å; T74-N77 PolarHBondContact O-N 2.85Å; T74-N77 VanDerWaalsContact O-N 3.11Å; T74-Q78 HydrophobicContact CG2-CB 4.3Å; T74-Q78 PolarHBondContact N-O 3.38Å; T74-Q78 WeakPolarHBondContact OG1-CA 3.49Å; T74-Q78 WeakPolarHBondContact OG1-CB 3.39Å; T74-Q78 PolarHBondContact OG1-N 2.67Å; T74-Q78 PolarHBondContact OG1-O 2.96Å; T74-V80 HydrophobicContact CG2-CG1 3.63Å; T74-V80 HydrophobicContact CG2-CG2 4.11Å; T74-V97 HydrophobicContact CG2-CG1 4.41Å; T74-F100 WeakPolarHBondContact CB-O 3.42Å; T74-L105 HydrophobicContact CG2-CD1 3.76Å; T74-L105 HydrophobicContact CG2-CG 4.4Å
75K97.6Very high97.5Very high138 Ų13825.7 Ų25.760%0.613%0.128SC*.THydrogen-bonded Turntrans-58.7-35.5176.4-175.8-178.8176-1780113.3N77 K98 F100K75-N77 VanDerWaalsContact C-N 3.3Å; K75-K98 WeakPolarHBondContact CA-O 3.37Å; K75-K98 WeakPolarHBondContact CB-O 3.46Å; K75-K98 PolarHBondContact N-O 2.82Å; K75-F100 VanDerWaalsContact CB-C 3.47Å; K75-F100 VanDerWaalsContact CB-O 3.28Å; K75-F100 WeakPolarHBondContact CB-O 3.27Å; K75-F100 PolarHBondContact N-O 3.49Å
76D98Very high97.4Very high65 Ų6526.4 Ų26.435%0.34813%0.133SC..THydrogen-bonded Turntrans-94.523.9178.364-25.4000112.8T74 Q78 S101 Y102T74-D76 VanDerWaalsContact CB-OD1 3.27Å; T74-D76 WeakPolarHBondContact CB-OD1 3.33Å; T74-D76 PolarHBondContact O-N 3.18Å; T74-D76 PolarHBondContact OG1-OD1 2.98Å; D76-Q78 VanDerWaalsContact C-N 3.29Å; D76-Q78 PolarHBondContact O-N 2.94Å; D76-S101 WeakPolarHBondContact OD1-CA 3.45Å; D76-Y102 PolarHBondContact OD1-N 3.33Å; D76-Y102 PolarHBondContact OD2-N 3.23Å
77N97.1Very high97.3Very high75 Ų7526.4 Ų26.440%0.40113%0.133SC..  trans63.324.8171-62.8-36.6000115.6L73 T74 K75 F157L73-N77 HydrophobicContact CD1-CB 4.41Å; L73-N77 WeakPolarHBondContact CD2-OD1 3.27Å; T74-N77 PolarHBondContact O-N 2.85Å; T74-N77 VanDerWaalsContact O-N 3.11Å; K75-N77 VanDerWaalsContact C-N 3.3Å; N77-F157 HydrophobicContact CB-CD1 4.49Å; N77-F157 HydrophobicContact CB-CE1 3.6Å; N77-F157 HydrophobicContact CB-CZ 3.78Å
78Q98.1Very high97.2Very high63 Ų6329.5 Ų29.529%0.29415%0.15SC..  trans-82.7135.1170.5-56.7-60.4-63.700110T74 D76 V80 Y102T74-Q78 HydrophobicContact CG2-CB 4.3Å; T74-Q78 PolarHBondContact N-O 3.38Å; T74-Q78 WeakPolarHBondContact OG1-CA 3.49Å; T74-Q78 WeakPolarHBondContact OG1-CB 3.39Å; T74-Q78 PolarHBondContact OG1-N 2.67Å; T74-Q78 PolarHBondContact OG1-O 2.96Å; D76-Q78 VanDerWaalsContact C-N 3.29Å; D76-Q78 PolarHBondContact O-N 2.94Å; Q78-V80 PolarHBondContact O-N 3.34Å; Q78-Y102 HydrophobicContact CB-CG 4.39Å; Q78-Y102 HydrophobicContact CG-CG 4.29Å
79V98.5Very high96.9Very high6 Ų632.5 Ų32.54%0.03616%0.16CC..EExtended strand (participates in β ladder)trans-82.8113.2173.8-1790000109.1C71 H72 L73 R134 L135 L158 E161 V162 L165C71-V79 HydrophobicContact CB-CG1 4.13Å; H72-V79 WeakPolarHBondContact O-CA 3.4Å; L73-V79 HydrophobicContact CD1-CG2 4.24Å; V79-R134 CarbonylContact O-C 3.54Å; V79-R134 VanDerWaalsContact O-CA 3.29Å; V79-R134 WeakPolarHBondContact O-CA 3.21Å; V79-R134 WeakPolarHBondContact O-CB 3.48Å; V79-L135 HydrophobicContact CB-CB 4.3Å; V79-L135 HydrophobicContact CG1-CB 3.76Å; V79-L135 HydrophobicContact CG1-CD2 3.98Å; V79-L135 PolarHBondContact O-N 3.15Å; V79-L158 HydrophobicContact CG1-CD1 4.17Å; V79-L158 HydrophobicContact CG2-CD1 4.16Å; V79-E161 HydrophobicContact CG2-CB 3.96Å; V79-E161 HydrophobicContact CG2-CG 3.51Å; V79-V162 HydrophobicContact CG1-CG2 3.77Å; V79-V162 HydrophobicContact CG2-CG2 4.3Å; V79-L165 HydrophobicContact CB-CD1 4.06Å; V79-L165 HydrophobicContact CG2-CD1 4.12Å
80V98.4Very high96.7Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-106148177.8-66.70000111.4C71 H72 T74 Q78 V97 Y102 L105 I132 A133 R134C71-V80 WeakPolarHBondContact CA-O 3.45Å; H72-V80 HydrophobicContact CB-CG2 4.27Å; H72-V80 PolarHBondContact N-O 3.22Å; H72-V80 PolarHBondContact O-N 3.16Å; T74-V80 HydrophobicContact CG2-CG1 3.63Å; T74-V80 HydrophobicContact CG2-CG2 4.11Å; Q78-V80 PolarHBondContact O-N 3.34Å; V80-V97 HydrophobicContact CG2-CG1 3.63Å; V80-Y102 HydrophobicContact CG1-CD2 3.66Å; V80-Y102 HydrophobicContact CG1-CE2 3.94Å; V80-L105 HydrophobicContact CG1-CD1 3.88Å; V80-I132 HydrophobicContact CB-CG2 3.9Å; V80-I132 HydrophobicContact CG1-CG2 4.23Å; V80-I132 HydrophobicContact CG2-CG2 4.49Å; V80-A133 WeakPolarHBondContact CA-O 3.36Å; V80-R134 HydrophobicContact CG1-CG 4.48Å
81I98.1Very high96.6Very high0 Ų033 Ų330%016%0.163CC..EExtended strand (participates in β ladder)trans-91.9106173.352.1173.5000110.1N51 F56 T69 D70 A133 L135 L138N51-I81 HydrophobicContact CB-CB 4.33Å; N51-I81 HydrophobicContact CB-CG1 4.36Å; N51-I81 WeakPolarHBondContact CB-O 3.33Å; N51-I81 WeakPolarHBondContact O-CD1 3.47Å; N51-I81 WeakPolarHBondContact O-CG1 3.48Å; F56-I81 HydrophobicContact CD2-CD1 4.46Å; F56-I81 HydrophobicContact CE2-CD1 3.56Å; F56-I81 HydrophobicContact CZ-CD1 4.22Å; T69-I81 HydrophobicContact CG2-CG2 4Å; T69-I81 VanDerWaalsContact OG1-CB 3.32Å; T69-I81 WeakPolarHBondContact OG1-CB 3.29Å; T69-I81 WeakPolarHBondContact OG1-CG2 3.32Å; D70-I81 CarbonylContact O-C 3.52Å; D70-I81 WeakPolarHBondContact O-CA 3.33Å; I81-A133 HydrophobicContact CD1-CB 3.86Å; I81-A133 HydrophobicContact CG1-CB 3.81Å; I81-A133 WeakPolarHBondContact CG1-O 3.47Å; I81-A133 PolarHBondContact N-O 2.96Å; I81-L135 HydrophobicContact CG2-CB 4.17Å; I81-L135 HydrophobicContact CG2-CD1 3.9Å; I81-L138 HydrophobicContact CD1-CB 4.26Å; I81-L138 HydrophobicContact CD1-CD1 4.39Å; I81-L138 HydrophobicContact CD1-CD2 4.06Å; I81-L138 HydrophobicContact CD1-CG 4.48Å
82F97.4Very high96.4Very high0 Ų035.5 Ų35.50%019%0.19CC..  trans-158.7142.4-173.2-164.9-94.7000109.9D70 H72 D84 L87 T91 V97 Y108 I132D70-F82 CarbonylContact C-O 3.53Å; D70-F82 WeakPolarHBondContact CB-O 3.21Å; D70-F82 PolarHBondContact O-N 3.02Å; H72-F82 PolarHBondContact CD2-O 3.04Å; H72-F82 PolarHBondContact NE2-O 3.49Å; F82-D84 WeakPolarHBondContact CD1-O 3.29Å; F82-D84 HydrophobicContact CE1-CB 4.09Å; F82-D84 WeakPolarHBondContact CE1-O 3.44Å; F82-L87 HydrophobicContact CE1-CD2 4.33Å; F82-L87 HydrophobicContact CE2-CD2 4.48Å; F82-L87 HydrophobicContact CZ-CD2 4.08Å; F82-T91 HydrophobicContact CE2-CG2 4.3Å; F82-T91 HydrophobicContact CZ-CG2 4.37Å; F82-V97 HydrophobicContact CD1-CG2 3.84Å; F82-V97 HydrophobicContact CE1-CG2 4.19Å; F82-V97 HydrophobicContact CG-CG2 4.49Å; F82-Y108 HydrophobicContact CD2-CE1 4.06Å; F82-Y108 AromaticContact CD2-CZ 3.79Å; F82-Y108 WeakPolarHBondContact CD2-OH 3.43Å; F82-Y108 HydrophobicContact CE2-CD1 4.46Å; F82-Y108 AromaticContact CE2-CE1 3.57Å; F82-Y108 HydrophobicContact CE2-CE1 3.57Å; F82-Y108 AromaticContact CE2-CZ 3.77Å; F82-I132 HydrophobicContact CB-CG2 4.5Å; F82-I132 HydrophobicContact CD2-CD1 3.73Å; F82-I132 HydrophobicContact CD2-CG1 4Å; F82-I132 HydrophobicContact CD2-CG2 4.24Å; F82-I132 HydrophobicContact CE2-CD1 3.73Å; F82-I132 HydrophobicContact CE2-CG1 4.2Å
83H95.3Very high96.4Very high13 Ų1337.9 Ų37.96%0.0621%0.205CC..SBendtrans-81.7-56.6-171.7173.5-87.8000113.1R42 D70 H72 R242R42-H83 PolarHBondContact NH2-CD2 2.89Å; R42-H83 PolarHBondContact NH2-NE2 2.97Å; R42-H83 VanDerWaalsContact NH2-NE2 3.17Å; D70-H83 HydrophobicContact CB-CB 4.41Å; D70-H83 IonicContact OD1-CD2 3.78Å; D70-H83 WeakPolarHBondContact OD2-CB 3.28Å; D70-H83 IonicContact OD2-CD2 3.78Å; D70-H83 IonicContact OD2-CG 3.55Å; H72-H83 PolarHBondContact NE2-O 3.16Å; H83-R242 PolarHBondContact CE1-NH2 3.17Å; H83-R242 PolarHBondContact NE2-NH2 3.04Å
84D94.1Very high96.3Very high26 Ų2641.2 Ų41.214%0.13923%0.23CC..  trans-80.6152.7-172.4-61.7-41.2000111.6H72 F82 T86 R89H72-D84 PolarHBondContact NE2-O 3.23Å; H72-D84 VanDerWaalsContact NE2-O 3.09Å; F82-D84 WeakPolarHBondContact CD1-O 3.29Å; F82-D84 HydrophobicContact CE1-CB 4.09Å; F82-D84 WeakPolarHBondContact CE1-O 3.44Å; D84-T86 VanDerWaalsContact C-N 3.26Å; D84-T86 VanDerWaalsContact CB-O 3.27Å; D84-T86 WeakPolarHBondContact CB-O 3.36Å; D84-R89 IonicContact OD1-NH2 3.52Å; D84-R89 IonicContact OD2-CZ 3.97Å; D84-R89 IonicContact OD2-NE 3.41Å; D84-R89 PolarHBondContact OD2-NE 2.85Å; D84-R89 IonicContact OD2-NH2 3.52Å; D84-R89 PolarHBondContact OD2-NH2 3.49Å
85D93.1Very high96.3Very high88 Ų8841.8 Ų41.847%0.47124%0.236SC..SBendtrans-72.1-25.5170.358.3-14.4000112.1F96 V97D85-F96 HydrophobicContact CB-CD1 4.25Å; D85-F96 VanDerWaalsContact O-CA 3.28Å; D85-F96 WeakPolarHBondContact O-CA 2.94Å; D85-V97 PolarHBondContact O-N 3.17Å
86T96.3Very high96.2Very high38 Ų3839 Ų3923%0.23322%0.224CC..BIsolated β-bridgetrans-104.6152.2174.580.40000113.2D84 D88 G95 F96D84-T86 VanDerWaalsContact C-N 3.26Å; D84-T86 VanDerWaalsContact CB-O 3.27Å; D84-T86 WeakPolarHBondContact CB-O 3.36Å; T86-D88 WeakPolarHBondContact CB-OD2 3.28Å; T86-D88 PolarHBondContact OG1-OD2 3.09Å; T86-D88 VanDerWaalsContact OG1-OD2 3.04Å; T86-G95 CarbonylContact C-O 3.59Å; T86-G95 VanDerWaalsContact CA-O 3.26Å; T86-G95 WeakPolarHBondContact CA-O 3.32Å; T86-G95 WeakPolarHBondContact CB-O 3.3Å; T86-F96 HydrophobicContact CG2-CD1 3.71Å; T86-F96 HydrophobicContact CG2-CE1 3.59Å; T86-F96 HydrophobicContact CG2-CG 4.43Å; T86-F96 HydrophobicContact CG2-CZ 4.22Å
87L96.5Very high96.2Very high0 Ų036.1 Ų36.10%021%0.209CC..SBendtrans-83.4-14.8-176.4-69166.4000113F82 R89 S90 T91 V93 G95 V97 F100 L105 P106 I132F82-L87 HydrophobicContact CE1-CD2 4.33Å; F82-L87 HydrophobicContact CE2-CD2 4.48Å; F82-L87 HydrophobicContact CZ-CD2 4.08Å; L87-R89 PolarHBondContact O-N 2.91Å; L87-S90 PolarHBondContact O-N 3.27Å; L87-T91 WeakPolarHBondContact CB-OG1 2.99Å; L87-T91 HydrophobicContact CD2-CG2 4.26Å; L87-T91 WeakPolarHBondContact O-CB 3.43Å; L87-T91 PolarHBondContact O-N 3.05Å; L87-T91 PolarHBondContact O-OG1 2.9Å; L87-V93 CarbonylContact C-O 3.38Å; L87-V93 VanDerWaalsContact C-O 3.26Å; L87-V93 VanDerWaalsContact CB-O 3.24Å; L87-V93 WeakPolarHBondContact CB-O 3.38Å; L87-G95 PolarHBondContact N-O 3.49Å; L87-V97 HydrophobicContact CD2-CG2 3.96Å; L87-V97 HydrophobicContact CG-CG2 4.3Å; L87-F100 HydrophobicContact CD1-CD2 3.53Å; L87-F100 HydrophobicContact CD1-CE2 3.51Å; L87-F100 HydrophobicContact CD1-CG 4.2Å; L87-F100 HydrophobicContact CD1-CZ 4.13Å; L87-L105 HydrophobicContact CD1-CD2 4.36Å; L87-L105 HydrophobicContact CD2-CD2 4.17Å; L87-P106 HydrophobicContact CB-CG 4.39Å; L87-P106 HydrophobicContact CD1-CG 3.88Å; L87-P106 HydrophobicContact CD2-CG 4.08Å; L87-P106 HydrophobicContact CG-CG 4.35Å; L87-I132 HydrophobicContact CD2-CD1 4.03Å
88D95.8Very high96.2Very high65 Ų6539 Ų3935%0.34822%0.218SC..Hα-helixtrans-55.6-50-165.2-57.1-110.1000113.5T86 S90 G92 V93 S94T86-D88 WeakPolarHBondContact CB-OD2 3.28Å; T86-D88 PolarHBondContact OG1-OD2 3.09Å; T86-D88 VanDerWaalsContact OG1-OD2 3.04Å; D88-S90 PolarHBondContact O-N 2.97Å; D88-G92 WeakPolarHBondContact O-CA 3.37Å; D88-G92 PolarHBondContact O-N 3.4Å; D88-V93 WeakPolarHBondContact CA-O 3.36Å; D88-V93 PolarHBondContact N-O 2.95Å; D88-S94 VanDerWaalsContact OD1-CA 3.25Å; D88-S94 WeakPolarHBondContact OD1-CA 3.38Å; D88-S94 VanDerWaalsContact OD1-CB 3.31Å; D88-S94 WeakPolarHBondContact OD1-CB 3.49Å; D88-S94 PolarHBondContact OD1-OG 3.39Å
89R94.3Very high96.1Very high74 Ų7440.9 Ų40.928%0.27923%0.227SC..Hα-helixtrans-64-46.5-173-178.8-17760.488.45.9112E50 D84 L87E50-R89 IonicContact OE1-CZ 3.84Å; E50-R89 IonicContact OE1-NH1 3.56Å; E50-R89 PolarHBondContact OE1-NH1 3.18Å; E50-R89 IonicContact OE1-NH2 3.83Å; E50-R89 PolarHBondContact OE1-NH2 3.12Å; E50-R89 IonicContact OE2-CZ 3.1Å; E50-R89 IonicContact OE2-NH1 3.87Å; E50-R89 PolarHBondContact OE2-NH1 2.61Å; E50-R89 IonicContact OE2-NH2 2.87Å; E50-R89 PolarHBondContact OE2-NH2 3.08Å; D84-R89 IonicContact OD1-NH2 3.52Å; D84-R89 IonicContact OD2-CZ 3.97Å; D84-R89 IonicContact OD2-NE 3.41Å; D84-R89 PolarHBondContact OD2-NE 2.85Å; D84-R89 IonicContact OD2-NH2 3.52Å; D84-R89 PolarHBondContact OD2-NH2 3.49Å; L87-R89 PolarHBondContact O-N 2.91Å
90S94.1Very high96.1Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-95.9-14.8-167.7-57.40000112.9E50 L87 D88 Y108 L109E50-S90 PolarHBondContact OE1-OG 3.23Å; L87-S90 PolarHBondContact O-N 3.27Å; D88-S90 PolarHBondContact O-N 2.97Å; S90-Y108 CarbonylContact O-C 3.57Å; S90-Y108 WeakPolarHBondContact O-CA 3.45Å; S90-L109 PolarHBondContact O-N 2.89Å
91T95Very high96.1Very high10 Ų1044.3 Ų44.36%0.06125%0.245CC..Hα-helixtrans-128.1-17-174.477.60000114F82 L87 V93 P106 R107 L109 I132F82-T91 HydrophobicContact CE2-CG2 4.3Å; F82-T91 HydrophobicContact CZ-CG2 4.37Å; L87-T91 WeakPolarHBondContact CB-OG1 2.99Å; L87-T91 HydrophobicContact CD2-CG2 4.26Å; L87-T91 WeakPolarHBondContact O-CB 3.43Å; L87-T91 PolarHBondContact O-N 3.05Å; L87-T91 PolarHBondContact O-OG1 2.9Å; T91-V93 PolarHBondContact O-N 3.29Å; T91-V93 PolarHBondContact OG1-N 2.79Å; T91-P106 HydrophobicContact CG2-CG 3.94Å; T91-P106 WeakPolarHBondContact OG1-CG 3.31Å; T91-R107 WeakPolarHBondContact CB-O 3.47Å; T91-L109 WeakPolarHBondContact O-CD2 3.17Å; T91-I132 HydrophobicContact CG2-CD1 4.44Å
92G95Very high96.1Very high54 Ų5445.2 Ų45.256%0.55725%0.248SC*.SBendtrans73.82-175.100000114.7D88D88-G92 WeakPolarHBondContact O-CA 3.37Å; D88-G92 PolarHBondContact O-N 3.4Å
93V95.9Very high96.1Very high58 Ų5851.9 Ų51.935%0.35228%0.279SS..  trans-99.7129.7175.3177.80000109.2L87 D88 T91 F100 P106L87-V93 CarbonylContact C-O 3.38Å; L87-V93 VanDerWaalsContact C-O 3.26Å; L87-V93 VanDerWaalsContact CB-O 3.24Å; L87-V93 WeakPolarHBondContact CB-O 3.38Å; D88-V93 WeakPolarHBondContact CA-O 3.36Å; D88-V93 PolarHBondContact N-O 2.95Å; T91-V93 PolarHBondContact O-N 3.29Å; T91-V93 PolarHBondContact OG1-N 2.79Å; V93-F100 HydrophobicContact CG1-CZ 4.22Å; V93-P106 HydrophobicContact CB-CB 4.14Å; V93-P106 HydrophobicContact CB-CG 4Å; V93-P106 HydrophobicContact CG1-CG 4.46Å; V93-P106 HydrophobicContact CG2-CB 3.69Å; V93-P106 HydrophobicContact CG2-CG 4.14Å
94S96.9Very high96.1Very high90 Ų9056.1 Ų56.163%0.62930%0.302SS*.  trans-78141176.2-64.60000112.3D88D88-S94 VanDerWaalsContact OD1-CA 3.25Å; D88-S94 WeakPolarHBondContact OD1-CA 3.38Å; D88-S94 VanDerWaalsContact OD1-CB 3.31Å; D88-S94 WeakPolarHBondContact OD1-CB 3.49Å; D88-S94 PolarHBondContact OD1-OG 3.39Å
95G96.4Very high96.3Very high15 Ų1555.9 Ų55.916%0.15530%0.301CS..SBendtrans135.1167.3176.800000112.4T86 L87 E99T86-G95 CarbonylContact C-O 3.59Å; T86-G95 VanDerWaalsContact CA-O 3.26Å; T86-G95 WeakPolarHBondContact CA-O 3.32Å; T86-G95 WeakPolarHBondContact CB-O 3.3Å; L87-G95 PolarHBondContact N-O 3.49Å; G95-E99 WeakPolarHBondContact CA-OE2 3.32Å
96F97.1Very high96.4Very high80 Ų8052.9 Ų52.935%0.35129%0.286SS..BIsolated β-bridgetrans-88.5147.4176.7-63.4-86.4000111.1D85 T86 K98 E99 F100D85-F96 HydrophobicContact CB-CD1 4.25Å; D85-F96 VanDerWaalsContact O-CA 3.28Å; D85-F96 WeakPolarHBondContact O-CA 2.94Å; T86-F96 HydrophobicContact CG2-CD1 3.71Å; T86-F96 HydrophobicContact CG2-CE1 3.59Å; T86-F96 HydrophobicContact CG2-CG 4.43Å; T86-F96 HydrophobicContact CG2-CZ 4.22Å; F96-K98 HydrophobicContact CB-CG 3.9Å; F96-K98 PolarHBondContact O-N 3.35Å; F96-K98 VanDerWaalsContact O-N 3.12Å; F96-E99 HydrophobicContact CB-CG 4.11Å; F96-E99 PolarHBondContact N-OE2 3.46Å; F96-E99 WeakPolarHBondContact O-CB 3.25Å; F96-E99 PolarHBondContact O-N 3.25Å; F96-F100 WeakPolarHBondContact O-CD2 3.32Å
97V96.9Very high96.4Very high3 Ų359.2 Ų59.22%0.01831%0.306CS..G310 helixtrans-51.2-40.7176.4177.10000112H72 T74 V80 F82 D85 L87 E99 F100 L105H72-V97 HydrophobicContact CB-CB 4.31Å; H72-V97 HydrophobicContact CB-CG1 4.02Å; T74-V97 HydrophobicContact CG2-CG1 4.41Å; V80-V97 HydrophobicContact CG2-CG1 3.63Å; F82-V97 HydrophobicContact CD1-CG2 3.84Å; F82-V97 HydrophobicContact CE1-CG2 4.19Å; F82-V97 HydrophobicContact CG-CG2 4.49Å; D85-V97 PolarHBondContact O-N 3.17Å; L87-V97 HydrophobicContact CD2-CG2 3.96Å; L87-V97 HydrophobicContact CG-CG2 4.3Å; V97-E99 PolarHBondContact O-N 3.42Å; V97-E99 VanDerWaalsContact O-N 3.09Å; V97-F100 PolarHBondContact O-N 2.9Å; V97-L105 HydrophobicContact CG1-CD2 4.34Å
98K97Very high96.3Very high137 Ų13759.6 Ų59.660%0.59631%0.307SS*.G310 helixtrans-65.1-9.2179.670.3-179-178.2179.90115.4L73 K75 F96L73-K98 VanDerWaalsContact O-CA 3.27Å; L73-K98 WeakPolarHBondContact O-CA 3.28Å; L73-K98 PolarHBondContact O-N 3.32Å; K75-K98 WeakPolarHBondContact CA-O 3.37Å; K75-K98 WeakPolarHBondContact CB-O 3.46Å; K75-K98 PolarHBondContact N-O 2.82Å; F96-K98 HydrophobicContact CB-CG 3.9Å; F96-K98 PolarHBondContact O-N 3.35Å; F96-K98 VanDerWaalsContact O-N 3.12Å
99E97.3Very high96.2Very high102 Ų10259.7 Ų59.748%0.47731%0.308SS..G310 helixtrans-90.6-13-179.1-65173.7153.100112.7G95 F96 V97G95-E99 WeakPolarHBondContact CA-OE2 3.32Å; F96-E99 HydrophobicContact CB-CG 4.11Å; F96-E99 PolarHBondContact N-OE2 3.46Å; F96-E99 WeakPolarHBondContact O-CB 3.25Å; F96-E99 PolarHBondContact O-N 3.25Å; V97-E99 PolarHBondContact O-N 3.42Å; V97-E99 VanDerWaalsContact O-N 3.09Å
100F97.9Very high96.1Very high49 Ų4961.6 Ų61.622%0.21532%0.318CS..SBendtrans-113.3140.7-175.8-64-100000110.5T74 K75 L87 V93 F96 V97 D104 L105T74-F100 WeakPolarHBondContact CB-O 3.42Å; K75-F100 VanDerWaalsContact CB-C 3.47Å; K75-F100 VanDerWaalsContact CB-O 3.28Å; K75-F100 WeakPolarHBondContact CB-O 3.27Å; K75-F100 PolarHBondContact N-O 3.49Å; L87-F100 HydrophobicContact CD1-CD2 3.53Å; L87-F100 HydrophobicContact CD1-CE2 3.51Å; L87-F100 HydrophobicContact CD1-CG 4.2Å; L87-F100 HydrophobicContact CD1-CZ 4.13Å; V93-F100 HydrophobicContact CG1-CZ 4.22Å; F96-F100 WeakPolarHBondContact O-CD2 3.32Å; V97-F100 PolarHBondContact O-N 2.9Å; F100-D104 HydrophobicContact CB-CB 4.48Å; F100-D104 HydrophobicContact CD1-CB 4.42Å; F100-L105 HydrophobicContact CB-CD2 3.85Å; F100-L105 HydrophobicContact CB-CG 4.36Å
101S98.1Very high96Very high29 Ų2964.9 Ų64.920%0.20334%0.338CS..  trans-69.6157.8165.2-27.90000108.9D76 E103 D104 L105D76-S101 WeakPolarHBondContact OD1-CA 3.45Å; S101-E103 VanDerWaalsContact C-N 3.3Å; S101-E103 PolarHBondContact O-N 2.95Å; S101-D104 WeakPolarHBondContact CB-OD2 3.21Å; S101-D104 WeakPolarHBondContact O-CA 3.49Å; S101-D104 WeakPolarHBondContact O-CB 3.37Å; S101-D104 PolarHBondContact O-N 3Å; S101-D104 PolarHBondContact OG-OD2 2.9Å; S101-L105 PolarHBondContact O-N 3.1Å
102Y98Very high95.9Very high19 Ų1964.9 Ų64.98%0.07534%0.338CS..G310 helixtrans-56.1-42.3-176.3176.2-109.9000113.5D76 Q78 V80 D104 L105 K131 I132 R134D76-Y102 PolarHBondContact OD1-N 3.33Å; D76-Y102 PolarHBondContact OD2-N 3.23Å; Q78-Y102 HydrophobicContact CB-CG 4.39Å; Q78-Y102 HydrophobicContact CG-CG 4.29Å; V80-Y102 HydrophobicContact CG1-CD2 3.66Å; V80-Y102 HydrophobicContact CG1-CE2 3.94Å; Y102-D104 PolarHBondContact O-N 2.89Å; Y102-L105 HydrophobicContact CD2-CD1 3.88Å; Y102-L105 HydrophobicContact CE2-CD1 4.42Å; Y102-L105 WeakPolarHBondContact O-CB 3.43Å; Y102-L105 PolarHBondContact O-N 3.18Å; Y102-K131 VanDerWaalsContact OH-CE 3.25Å; Y102-K131 WeakPolarHBondContact OH-CE 3.4Å; Y102-I132 WeakPolarHBondContact CE2-O 3.39Å; Y102-I132 PolarHBondContact OH-O 3.37Å; Y102-I132 VanDerWaalsContact OH-O 3.07Å; Y102-R134 HydrophobicContact CD1-CG 4.46Å; Y102-R134 HydrophobicContact CD2-CG 3.82Å; Y102-R134 HydrophobicContact CE1-CG 4.04Å; Y102-R134 HydrophobicContact CE2-CG 3.37Å; Y102-R134 HydrophobicContact CG-CG 4.36Å
103E96.7Very high95.8Very high139 Ų13966.3 Ų66.365%0.6533%0.33SS*.G310 helixtrans-71.8-17.6178.2-63.7-56.2145.400113.5S101 K131S101-E103 VanDerWaalsContact C-N 3.3Å; S101-E103 PolarHBondContact O-N 2.95Å; E103-K131 IonicContact OE1-NZ 2.72Å; E103-K131 IonicContact OE2-NZ 3.64Å
104D97Very high95.6Very high102 Ų10263.7 Ų63.755%0.54531%0.314SS..G310 helixtrans-92.1-5.2177.6-56.8-45.9000112.5F100 S101 Y102F100-D104 HydrophobicContact CB-CB 4.48Å; F100-D104 HydrophobicContact CD1-CB 4.42Å; S101-D104 WeakPolarHBondContact CB-OD2 3.21Å; S101-D104 WeakPolarHBondContact O-CA 3.49Å; S101-D104 WeakPolarHBondContact O-CB 3.37Å; S101-D104 PolarHBondContact O-N 3Å; S101-D104 PolarHBondContact OG-OD2 2.9Å; Y102-D104 PolarHBondContact O-N 2.89Å
105L97.3Very high95.1Very high22 Ų2260.8 Ų60.812%0.11529%0.29CS..PPolyproline II helixtrans-63.5135.7179.8-78.5173.4000111T74 V80 L87 V97 F100 S101 Y102 I132T74-L105 HydrophobicContact CG2-CD1 3.76Å; T74-L105 HydrophobicContact CG2-CG 4.4Å; V80-L105 HydrophobicContact CG1-CD1 3.88Å; L87-L105 HydrophobicContact CD1-CD2 4.36Å; L87-L105 HydrophobicContact CD2-CD2 4.17Å; V97-L105 HydrophobicContact CG1-CD2 4.34Å; F100-L105 HydrophobicContact CB-CD2 3.85Å; F100-L105 HydrophobicContact CB-CG 4.36Å; S101-L105 PolarHBondContact O-N 3.1Å; Y102-L105 HydrophobicContact CD2-CD1 3.88Å; Y102-L105 HydrophobicContact CE2-CD1 4.42Å; Y102-L105 WeakPolarHBondContact O-CB 3.43Å; Y102-L105 PolarHBondContact O-N 3.18Å; L105-I132 HydrophobicContact CB-CD1 4.32Å; L105-I132 HydrophobicContact CD1-CB 4.32Å; L105-I132 HydrophobicContact CD1-CD1 4.38Å; L105-I132 HydrophobicContact CD1-CG2 4.21Å; L105-I132 HydrophobicContact CD2-CD1 4.42Å
106P95.9Very high94.6Very high24 Ų2461.2 Ų61.216%0.15629%0.288CS..PPolyproline II helixtrans-69.5162.7178.231.4-36.1000111.2L87 T91 V93L87-P106 HydrophobicContact CB-CG 4.39Å; L87-P106 HydrophobicContact CD1-CG 3.88Å; L87-P106 HydrophobicContact CD2-CG 4.08Å; L87-P106 HydrophobicContact CG-CG 4.35Å; T91-P106 HydrophobicContact CG2-CG 3.94Å; T91-P106 WeakPolarHBondContact OG1-CG 3.31Å; V93-P106 HydrophobicContact CB-CB 4.14Å; V93-P106 HydrophobicContact CB-CG 4Å; V93-P106 HydrophobicContact CG1-CG 4.46Å; V93-P106 HydrophobicContact CG2-CB 3.69Å; V93-P106 HydrophobicContact CG2-CG 4.14Å
107R94.9Very high94.1Very high171 Ų17159.2 Ų59.265%0.64528%0.282SS*.PPolyproline II helixtrans-80.8150.8173.4-76.9-175.3-170.9-166.33.4111.1T91 Y130T91-R107 WeakPolarHBondContact CB-O 3.47Å; R107-Y130 CarbonylContact C-O 3.56Å; R107-Y130 WeakPolarHBondContact CA-O 3.3Å; R107-Y130 WeakPolarHBondContact CB-O 3.47Å
108Y95.5Very high93.5Very high8 Ų862.4 Ų62.43%0.03130%0.303CS..PPolyproline II helixtrans-58.4148.5169-76.4-76.5000111.7I49 E50 T52 F82 S90 I112 Y130 I132I49-Y108 HydrophobicContact CG2-CD1 3.67Å; I49-Y108 HydrophobicContact CG2-CD2 3.76Å; I49-Y108 HydrophobicContact CG2-CE1 4.13Å; I49-Y108 HydrophobicContact CG2-CE2 4.22Å; I49-Y108 HydrophobicContact CG2-CG 3.47Å; I49-Y108 VanDerWaalsContact CG2-CG 3.47Å; E50-Y108 HydrophobicContact CG-CE1 4.21Å; E50-Y108 PolarHBondContact O-OH 3.3Å; E50-Y108 VanDerWaalsContact O-OH 3.13Å; T52-Y108 HydrophobicContact CG2-CD2 3.91Å; T52-Y108 HydrophobicContact CG2-CE2 3.75Å; F82-Y108 HydrophobicContact CD2-CE1 4.06Å; F82-Y108 AromaticContact CD2-CZ 3.79Å; F82-Y108 WeakPolarHBondContact CD2-OH 3.43Å; F82-Y108 HydrophobicContact CE2-CD1 4.46Å; F82-Y108 AromaticContact CE2-CE1 3.57Å; F82-Y108 HydrophobicContact CE2-CE1 3.57Å; F82-Y108 AromaticContact CE2-CZ 3.77Å; S90-Y108 CarbonylContact O-C 3.57Å; S90-Y108 WeakPolarHBondContact O-CA 3.45Å; Y108-I112 HydrophobicContact CD1-CD1 3.64Å; Y108-I112 HydrophobicContact CE1-CD1 4.42Å; Y108-I112 HydrophobicContact CG-CD1 4.38Å; Y108-Y130 PolarHBondContact N-O 2.89Å; Y108-I132 HydrophobicContact CD2-CG1 4.21Å; Y108-I132 HydrophobicContact CE2-CB 4.44Å; Y108-I132 HydrophobicContact CE2-CG1 3.73Å
109L93.8Very high93.1Very high67 Ų6758.5 Ų58.535%0.35130%0.301SS..PPolyproline II helixtrans-65.8151.5167.5-64.7172.6000110.2S90 T91 V111 I112S90-L109 PolarHBondContact O-N 2.89Å; T91-L109 WeakPolarHBondContact O-CD2 3.17Å; L109-V111 PolarHBondContact O-N 3.46Å; L109-I112 HydrophobicContact CB-CG1 4.08Å
110K91.5Very high92.8Very high115 Ų11555.5 Ų55.550%0.529%0.292SS..SBendtrans-65.6-27.9175.3-61.2-165.5171.7-171.40113.4I123 T124 Y130K110-I123 WeakPolarHBondContact O-CA 3.12Å; K110-T124 PolarHBondContact O-N 3.08Å; K110-Y130 HydrophobicContact CG-CE1 4.13Å; K110-Y130 WeakPolarHBondContact CG-OH 3.48Å
111V92.6Very high92.6Very high69 Ų6958.5 Ų58.542%0.41831%0.305SS..EExtended strand (participates in β ladder)trans-128.7121.6-176.8-175.60000107.9L109 F121 C122 I123L109-V111 PolarHBondContact O-N 3.46Å; V111-F121 HydrophobicContact CG1-CB 3.96Å; V111-F121 HydrophobicContact CG1-CD1 3.88Å; V111-F121 HydrophobicContact CG1-CG 4.2Å; V111-C122 WeakPolarHBondContact CA-O 3.26Å; V111-I123 HydrophobicContact CG1-CG1 4.27Å; V111-I123 HydrophobicContact CG2-CG1 4.24Å; V111-I123 HydrophobicContact CG2-CG2 4.33Å
112I93.3Very high92.3Very high10 Ų1057.3 Ų57.35%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-131.5132.1179.5-58.6179.6000108.4I49 Y108 L109 F121 C122I49-I112 HydrophobicContact CD1-CD1 3.92Å; I49-I112 HydrophobicContact CD1-CG1 4.13Å; I49-I112 HydrophobicContact CG2-CD1 3.99Å; Y108-I112 HydrophobicContact CD1-CD1 3.64Å; Y108-I112 HydrophobicContact CE1-CD1 4.42Å; Y108-I112 HydrophobicContact CG-CD1 4.38Å; L109-I112 HydrophobicContact CB-CG1 4.08Å; I112-F121 CarbonylContact O-C 3.59Å; I112-F121 WeakPolarHBondContact O-CA 3.31Å; I112-C122 PolarHBondContact N-O 3.41Å; I112-C122 PolarHBondContact O-N 3.17Å
113E92.7Very high91.9Very high83 Ų8361.5 Ų61.539%0.38832%0.319SS..EExtended strand (participates in β ladder)trans-68133.5175.3-168.9177.7-168.100110.7Q115 G119 F121E113-Q115 PolarHBondContact O-N 2.85Å; E113-G119 PolarHBondContact OE1-N 3.46Å; E113-F121 HydrophobicContact CB-CD1 3.91Å; E113-F121 HydrophobicContact CB-CE1 3.75Å; E113-F121 HydrophobicContact CG-CD1 4.33Å; E113-F121 HydrophobicContact CG-CE1 4Å; E113-F121 HydrophobicContact CG-CZ 4.36Å
114V91.8Very high91.2Very high3 Ų355.3 Ų55.32%0.01829%0.291CS..  trans-76.1113.4176.6-174.70000108.4F116 T117 S120 D302V114-F116 PolarHBondContact O-N 3.38Å; V114-T117 CarbonylContact O-C 3.41Å; V114-T117 PolarHBondContact O-N 3.16Å; V114-T117 VanDerWaalsContact O-N 3.11Å; V114-S120 PolarHBondContact N-O 3.2Å; V114-D302 HydrophobicContact CG1-CB 3.99Å
115Q86Confident90.1Very high29 Ų2957.4 Ų57.414%0.13630%0.297CS..THydrogen-bonded Turntrans-48.5-59.1-172.8-107.1-151.5-63.900113.4E113 T117 E238E113-Q115 PolarHBondContact O-N 2.85Å; Q115-T117 PolarHBondContact O-N 3.45Å; Q115-T117 VanDerWaalsContact O-N 3.16Å; Q115-E238 VanDerWaalsContact C-OE1 3.24Å; Q115-E238 WeakPolarHBondContact CA-OE1 3.13Å; Q115-E238 WeakPolarHBondContact CB-OE1 3.28Å; Q115-E238 WeakPolarHBondContact CG-OE1 3.36Å; Q115-E238 PolarHBondContact NE2-OE1 3.1Å
116F86Confident89.1Confident25 Ų2558.6 Ų58.611%0.1131%0.307CS..THydrogen-bonded Turntrans-82.812-173.3-62.8-80.8000113.6H41 V114 V233 E238 W280 V281H41-F116 AromaticContact CE1-CD2 3.63Å; H41-F116 AromaticContact CE1-CE2 3.4Å; H41-F116 WeakPolarHBondContact CE1-CE2 3.18Å; H41-F116 AromaticContact NE2-CE2 3.82Å; V114-F116 PolarHBondContact O-N 3.38Å; F116-V233 HydrophobicContact CD1-CG1 4.18Å; F116-V233 HydrophobicContact CE1-CG1 4.49Å; F116-E238 WeakPolarHBondContact CA-OE2 3.49Å; F116-E238 WeakPolarHBondContact CD1-OE2 3.44Å; F116-E238 WeakPolarHBondContact CE1-OE2 3.44Å; F116-E238 VanDerWaalsContact CG-OE2 3.28Å; F116-E238 WeakPolarHBondContact CG-OE2 3.28Å; F116-E238 PolarHBondContact N-OE2 2.7Å; F116-W280 HydrophobicContact CE1-CE3 4.38Å; F116-W280 AromaticContact CE1-CZ3 3.89Å; F116-W280 HydrophobicContact CE1-CZ3 3.89Å; F116-W280 HydrophobicContact CZ-CE3 4.23Å; F116-W280 AromaticContact CZ-CZ3 3.78Å; F116-W280 HydrophobicContact CZ-CZ3 3.78Å; F116-V281 HydrophobicContact CB-CB 4.05Å; F116-V281 HydrophobicContact CB-CG2 4.4Å; F116-V281 HydrophobicContact CD1-CB 4.43Å; F116-V281 HydrophobicContact CD1-CG2 4.18Å; F116-V281 HydrophobicContact CD2-CB 3.95Å; F116-V281 HydrophobicContact CD2-CG2 3.35Å; F116-V281 HydrophobicContact CE1-CG2 4.32Å; F116-V281 HydrophobicContact CE2-CG2 3.52Å; F116-V281 HydrophobicContact CG-CB 3.89Å; F116-V281 HydrophobicContact CG-CG2 3.71Å; F116-V281 HydrophobicContact CZ-CG2 4.01Å
117T87.1Confident87.8Confident38 Ų3861.7 Ų61.723%0.23333%0.327CS..SBendtrans-143.672.8171.8-53.60000109.6V114 Q115 G119 S120 N283V114-T117 CarbonylContact O-C 3.41Å; V114-T117 PolarHBondContact O-N 3.16Å; V114-T117 VanDerWaalsContact O-N 3.11Å; Q115-T117 PolarHBondContact O-N 3.45Å; Q115-T117 VanDerWaalsContact O-N 3.16Å; T117-G119 PolarHBondContact O-N 3.06Å; T117-S120 WeakPolarHBondContact CG2-OG 3.29Å; T117-S120 VanDerWaalsContact O-CB 3.22Å; T117-S120 WeakPolarHBondContact O-CB 3.37Å; T117-S120 PolarHBondContact O-N 3.32Å; T117-S120 PolarHBondContact O-OG 2.86Å; T117-N283 PolarHBondContact OG1-ND2 3.38Å
118P82.8Confident86.6Confident70 Ų7056.6 Ų56.646%0.45532%0.318SS..THydrogen-bonded Turntrans-50.5134.8-177.1-28.435.5000112.8S120P118-S120 VanDerWaalsContact C-N 3.28Å
119G88.3Confident85.4Confident54 Ų5456.3 Ų56.356%0.55732%0.317SS*.THydrogen-bonded Turntrans82-4.2-173.300000115.3E113 T117 F121E113-G119 PolarHBondContact OE1-N 3.46Å; T117-G119 PolarHBondContact O-N 3.06Å; G119-F121 WeakPolarHBondContact O-CD2 3.39Å; G119-F121 WeakPolarHBondContact O-CE2 3.38Å
120S92.3Very high84.9Confident39 Ų3954.1 Ų54.127%0.27331%0.305SS..  trans-94.4142.7165.6-60.60000110.4V114 T117 P118 Y303V114-S120 PolarHBondContact N-O 3.2Å; T117-S120 WeakPolarHBondContact CG2-OG 3.29Å; T117-S120 VanDerWaalsContact O-CB 3.22Å; T117-S120 WeakPolarHBondContact O-CB 3.37Å; T117-S120 PolarHBondContact O-N 3.32Å; T117-S120 PolarHBondContact O-OG 2.86Å; P118-S120 VanDerWaalsContact C-N 3.28Å; S120-Y303 WeakPolarHBondContact CB-OH 3.14Å
121F93.1Very high85Confident112 Ų11253.3 Ų53.349%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-128.5137.4-177.1-62-92.6000110V111 I112 E113 G119V111-F121 HydrophobicContact CG1-CB 3.96Å; V111-F121 HydrophobicContact CG1-CD1 3.88Å; V111-F121 HydrophobicContact CG1-CG 4.2Å; I112-F121 CarbonylContact O-C 3.59Å; I112-F121 WeakPolarHBondContact O-CA 3.31Å; E113-F121 HydrophobicContact CB-CD1 3.91Å; E113-F121 HydrophobicContact CB-CE1 3.75Å; E113-F121 HydrophobicContact CG-CD1 4.33Å; E113-F121 HydrophobicContact CG-CE1 4Å; E113-F121 HydrophobicContact CG-CZ 4.36Å; G119-F121 WeakPolarHBondContact O-CD2 3.39Å; G119-F121 WeakPolarHBondContact O-CE2 3.38Å
122C91.8Very high85.1Confident4 Ų450.1 Ų50.13%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-82.9131.3162.1-176.90000108.6S45 Q48 I49 V111 I112S45-C122 WeakPolarHBondContact O-CB 3.49Å; Q48-C122 WeakPolarHBondContact CA-SG 3.45Å; Q48-C122 PolarHBondContact O-SG 3.11Å; Q48-C122 VanDerWaalsContact O-SG 3.41Å; I49-C122 HydrophobicContact CD1-CB 4.5Å; I49-C122 PolarHBondContact N-SG 3.22Å; V111-C122 WeakPolarHBondContact CA-O 3.26Å; I112-C122 PolarHBondContact N-O 3.41Å; I112-C122 PolarHBondContact O-N 3.17Å
123I90.3Very high85.3Confident108 Ų10850 Ų5055%0.55428%0.282SS*.EExtended strand (participates in β ladder)trans-123.7126.4177.6-55175.4000107.2K110 V111K110-I123 WeakPolarHBondContact O-CA 3.12Å; V111-I123 HydrophobicContact CG1-CG1 4.27Å; V111-I123 HydrophobicContact CG2-CG1 4.24Å; V111-I123 HydrophobicContact CG2-CG2 4.33Å
124T81.5Confident85.6Confident8 Ų848.5 Ų48.55%0.04927%0.272CS..  trans-126.9133.4172.6-1640000112.5I49 K110 S126 Y130I49-T124 HydrophobicContact CD1-CG2 3.91Å; I49-T124 HydrophobicContact CG1-CG2 3.32Å; K110-T124 PolarHBondContact O-N 3.08Å; T124-S126 PolarHBondContact OG1-N 2.92Å; T124-Y130 HydrophobicContact CG2-CD1 4.08Å; T124-Y130 HydrophobicContact CG2-CE1 3.41Å; T124-Y130 VanDerWaalsContact CG2-CE1 3.41Å; T124-Y130 PolarHBondContact O-OH 2.8Å
125E74Confident85.9Confident147 Ų14748.3 Ų48.369%0.68727%0.272SS*.  trans-94-3.9172.5-63.6-59.8152.800112.2P127E125-P127 VanDerWaalsContact O-CD 3.31Å; E125-P127 WeakPolarHBondContact O-CD 3.24Å
126S76.4Confident86.5Confident46 Ų4649.5 Ų49.532%0.32228%0.277SS..  trans-83.9118.9-177.6-174.90000111.5T124 S128 S129T124-S126 PolarHBondContact OG1-N 2.92Å; S126-S128 PolarHBondContact O-N 3.08Å; S126-S128 PolarHBondContact OG-OG 2.81Å; S126-S128 VanDerWaalsContact OG-OG 3.13Å; S126-S129 PolarHBondContact O-N 2.9Å
127P67.3Low87.1Confident89 Ų8950.1 Ų50.158%0.57828%0.282SS*.G310 helixtrans-63.7-25.9177.3-23.235.4000114.9E125 S129 Y130E125-P127 VanDerWaalsContact O-CD 3.31Å; E125-P127 WeakPolarHBondContact O-CD 3.24Å; P127-S129 VanDerWaalsContact C-N 3.34Å; P127-Y130 VanDerWaalsContact CA-CE2 3.47Å; P127-Y130 HydrophobicContact CB-CD2 4.39Å; P127-Y130 HydrophobicContact CB-CE2 4.25Å; P127-Y130 WeakPolarHBondContact O-CD2 3.19Å
128S69.8Low87.6Confident65 Ų6548.3 Ų48.346%0.45527%0.271SS..G310 helixtrans-70.8-32.8-177.970.90000112.1E54 S126 Y130E54-S128 VanDerWaalsContact OE1-C 3.29Å; E54-S128 WeakPolarHBondContact OE1-CB 3.14Å; E54-S128 PolarHBondContact OE1-OG 3.47Å; S126-S128 PolarHBondContact O-N 3.08Å; S126-S128 PolarHBondContact OG-OG 2.81Å; S126-S128 VanDerWaalsContact OG-OG 3.13Å; S128-Y130 PolarHBondContact O-N 3.05Å
129S71.1Confident88.3Confident2 Ų245 Ų451%0.01425%0.249CC..G310 helixtrans-69.54.7179.5-52.60000114T52 E54 S126 P127T52-S129 VanDerWaalsContact CG2-O 3.22Å; T52-S129 WeakPolarHBondContact CG2-O 3.45Å; E54-S129 WeakPolarHBondContact CB-OG 3.34Å; E54-S129 WeakPolarHBondContact CG-OG 2.77Å; S126-S129 PolarHBondContact O-N 2.9Å; P127-S129 VanDerWaalsContact C-N 3.34Å
130Y83.6Confident88.8Confident21 Ų2146.7 Ų46.78%0.08225%0.245CC..G310 helixtrans-93.8-15.7-176.1-59.8-30.1000114R107 Y108 K110 T124 P127 S128R107-Y130 CarbonylContact C-O 3.56Å; R107-Y130 WeakPolarHBondContact CA-O 3.3Å; R107-Y130 WeakPolarHBondContact CB-O 3.47Å; Y108-Y130 PolarHBondContact N-O 2.89Å; K110-Y130 HydrophobicContact CG-CE1 4.13Å; K110-Y130 WeakPolarHBondContact CG-OH 3.48Å; T124-Y130 HydrophobicContact CG2-CD1 4.08Å; T124-Y130 HydrophobicContact CG2-CE1 3.41Å; T124-Y130 VanDerWaalsContact CG2-CE1 3.41Å; T124-Y130 PolarHBondContact O-OH 2.8Å; P127-Y130 VanDerWaalsContact CA-CE2 3.47Å; P127-Y130 HydrophobicContact CB-CD2 4.39Å; P127-Y130 HydrophobicContact CB-CE2 4.25Å; P127-Y130 WeakPolarHBondContact O-CD2 3.19Å; S128-Y130 PolarHBondContact O-N 3.05Å
131K92.4Very high89.1Confident97 Ų9749.5 Ų49.542%0.42225%0.253SS..SBendtrans-85.1133.7-178.7-165177.9-175.5-178.90110.8Y102 E103 A133Y102-K131 VanDerWaalsContact OH-CE 3.25Å; Y102-K131 WeakPolarHBondContact OH-CE 3.4Å; E103-K131 IonicContact OE1-NZ 2.72Å; E103-K131 IonicContact OE2-NZ 3.64Å; K131-A133 PolarHBondContact O-N 3.17Å
132I96.2Very high89.3Confident3 Ų344.9 Ų44.92%0.01523%0.232CC..PPolyproline II helixtrans-65124.9168.3-62.1173.2000108.6V80 F82 L87 T91 Y102 L105 Y108V80-I132 HydrophobicContact CB-CG2 3.9Å; V80-I132 HydrophobicContact CG1-CG2 4.23Å; V80-I132 HydrophobicContact CG2-CG2 4.49Å; F82-I132 HydrophobicContact CB-CG2 4.5Å; F82-I132 HydrophobicContact CD2-CD1 3.73Å; F82-I132 HydrophobicContact CD2-CG1 4Å; F82-I132 HydrophobicContact CD2-CG2 4.24Å; F82-I132 HydrophobicContact CE2-CD1 3.73Å; F82-I132 HydrophobicContact CE2-CG1 4.2Å; L87-I132 HydrophobicContact CD2-CD1 4.03Å; T91-I132 HydrophobicContact CG2-CD1 4.44Å; Y102-I132 WeakPolarHBondContact CE2-O 3.39Å; Y102-I132 PolarHBondContact OH-O 3.37Å; Y102-I132 VanDerWaalsContact OH-O 3.07Å; L105-I132 HydrophobicContact CB-CD1 4.32Å; L105-I132 HydrophobicContact CD1-CB 4.32Å; L105-I132 HydrophobicContact CD1-CD1 4.38Å; L105-I132 HydrophobicContact CD1-CG2 4.21Å; L105-I132 HydrophobicContact CD2-CD1 4.42Å; Y108-I132 HydrophobicContact CD2-CG1 4.21Å; Y108-I132 HydrophobicContact CE2-CB 4.44Å; Y108-I132 HydrophobicContact CE2-CG1 3.73Å
133A97Very high89.6Confident6 Ų648.1 Ų48.15%0.0525%0.253CS..PPolyproline II helixtrans-86.4154.2-176.800000111.8L53 V80 I81 K131L53-A133 HydrophobicContact CD2-CB 4.29Å; L53-A133 HydrophobicContact CG-CB 3.98Å; V80-A133 WeakPolarHBondContact CA-O 3.36Å; I81-A133 HydrophobicContact CD1-CB 3.86Å; I81-A133 HydrophobicContact CG1-CB 3.81Å; I81-A133 WeakPolarHBondContact CG1-O 3.47Å; I81-A133 PolarHBondContact N-O 2.96Å; K131-A133 PolarHBondContact O-N 3.17Å
134R98.3Very high89.9Confident52 Ų5249.6 Ų49.620%0.19626%0.262CS..BIsolated β-bridgetrans-85.8153.5167.1-56.4177-62.5142.98.1109.9V79 V80 Y102 E136 D137 L138V79-R134 CarbonylContact O-C 3.54Å; V79-R134 VanDerWaalsContact O-CA 3.29Å; V79-R134 WeakPolarHBondContact O-CA 3.21Å; V79-R134 WeakPolarHBondContact O-CB 3.48Å; V80-R134 HydrophobicContact CG1-CG 4.48Å; Y102-R134 HydrophobicContact CD1-CG 4.46Å; Y102-R134 HydrophobicContact CD2-CG 3.82Å; Y102-R134 HydrophobicContact CE1-CG 4.04Å; Y102-R134 HydrophobicContact CE2-CG 3.37Å; Y102-R134 HydrophobicContact CG-CG 4.36Å; R134-E136 IonicContact CZ-OE2 3.89Å; R134-E136 IonicContact NH1-OE2 2.71Å; R134-E136 PolarHBondContact NH1-OE2 3.4Å; R134-E136 IonicContact NH2-OE2 2.86Å; R134-E136 PolarHBondContact NH2-OE2 3.33Å; R134-E136 PolarHBondContact O-N 2.91Å; R134-D137 VanDerWaalsContact CB-OD2 3.29Å; R134-D137 WeakPolarHBondContact CB-OD2 3.28Å; R134-D137 IonicContact CZ-OD1 2.66Å; R134-D137 IonicContact CZ-OD2 3.85Å; R134-D137 PolarHBondContact N-OD2 2.98Å; R134-D137 IonicContact NE-OD1 2.69Å; R134-D137 IonicContact NE-OD2 2.88Å; R134-D137 PolarHBondContact NE-OD2 3.19Å; R134-D137 VanDerWaalsContact NE-OD2 3.13Å; R134-D137 IonicContact NH2-OD1 3.08Å; R134-D137 PolarHBondContact NH2-OD1 3.3Å; R134-D137 IonicContact NH2-OD2 3.96Å; R134-D137 PolarHBondContact O-N 3.44Å; R134-D137 VanDerWaalsContact O-N 3.15Å; R134-L138 PolarHBondContact O-N 2.82Å
135L98.6Very high90.7Very high0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-59.8-36.5172.3-178.164.3000111.4V79 I81 D137 L138 F139 I149 V162 L165V79-L135 HydrophobicContact CB-CB 4.3Å; V79-L135 HydrophobicContact CG1-CB 3.76Å; V79-L135 HydrophobicContact CG1-CD2 3.98Å; V79-L135 PolarHBondContact O-N 3.15Å; I81-L135 HydrophobicContact CG2-CB 4.17Å; I81-L135 HydrophobicContact CG2-CD1 3.9Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 2.94Å; L135-L138 HydrophobicContact CD1-CD2 4.31Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3.21Å; L135-F139 HydrophobicContact CD1-CD1 4.17Å; L135-F139 HydrophobicContact CD1-CE1 3.57Å; L135-F139 HydrophobicContact CD1-CE2 4.42Å; L135-F139 HydrophobicContact CD1-CZ 3.72Å; L135-F139 HydrophobicContact CD2-CE2 4.03Å; L135-F139 HydrophobicContact CD2-CZ 3.82Å; L135-F139 HydrophobicContact CG-CD1 4.46Å; L135-F139 HydrophobicContact CG-CD2 4.41Å; L135-F139 HydrophobicContact CG-CE1 3.99Å; L135-F139 HydrophobicContact CG-CE2 3.94Å; L135-F139 HydrophobicContact CG-CZ 3.72Å; L135-F139 PolarHBondContact O-N 2.98Å; L135-I149 HydrophobicContact CD1-CD1 3.94Å; L135-I149 HydrophobicContact CD2-CD1 4.12Å; L135-V162 HydrophobicContact CD2-CB 4.48Å; L135-V162 HydrophobicContact CD2-CG1 3.98Å; L135-V162 HydrophobicContact CD2-CG2 4.15Å; L135-L165 HydrophobicContact CB-CD1 4.26Å; L135-L165 HydrophobicContact CD2-CD1 4.04Å; L135-L165 HydrophobicContact CG-CD1 4.4Å
136E98.4Very high91.9Very high54 Ų5443.8 Ų43.825%0.25224%0.237SC..Hα-helixtrans-59-42.5175.1-172.6175-134.100112.2R134 L138 F139 N140 L165 Y169R134-E136 IonicContact CZ-OE2 3.89Å; R134-E136 IonicContact NH1-OE2 2.71Å; R134-E136 PolarHBondContact NH1-OE2 3.4Å; R134-E136 IonicContact NH2-OE2 2.86Å; R134-E136 PolarHBondContact NH2-OE2 3.33Å; R134-E136 PolarHBondContact O-N 2.91Å; E136-L138 VanDerWaalsContact C-N 3.3Å; E136-L138 PolarHBondContact O-N 3.14Å; E136-F139 PolarHBondContact O-N 2.86Å; E136-N140 WeakPolarHBondContact O-CB 3.34Å; E136-N140 PolarHBondContact O-N 3.03Å; E136-N140 PolarHBondContact O-ND2 3.34Å; E136-N140 VanDerWaalsContact O-ND2 3.08Å; E136-L165 HydrophobicContact CB-CD2 4.17Å; E136-L165 HydrophobicContact CG-CD2 4.33Å; E136-Y169 HydrophobicContact CG-CE2 4.02Å; E136-Y169 VanDerWaalsContact CG-OH 3.28Å; E136-Y169 WeakPolarHBondContact CG-OH 3.25Å
137D98Very high92.9Very high38 Ų3841.6 Ų41.620%0.20322%0.222CC..Hα-helixtrans-64.9-37.1178.1-57.1-41.4000111.2L53 R134 L135 K141L53-D137 HydrophobicContact CD1-CB 4.11Å; R134-D137 VanDerWaalsContact CB-OD2 3.29Å; R134-D137 WeakPolarHBondContact CB-OD2 3.28Å; R134-D137 IonicContact CZ-OD1 2.66Å; R134-D137 IonicContact CZ-OD2 3.85Å; R134-D137 PolarHBondContact N-OD2 2.98Å; R134-D137 IonicContact NE-OD1 2.69Å; R134-D137 IonicContact NE-OD2 2.88Å; R134-D137 PolarHBondContact NE-OD2 3.19Å; R134-D137 VanDerWaalsContact NE-OD2 3.13Å; R134-D137 IonicContact NH2-OD1 3.08Å; R134-D137 PolarHBondContact NH2-OD1 3.3Å; R134-D137 IonicContact NH2-OD2 3.96Å; R134-D137 PolarHBondContact O-N 3.44Å; R134-D137 VanDerWaalsContact O-N 3.15Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 2.94Å; D137-K141 WeakPolarHBondContact O-CB 3.49Å; D137-K141 PolarHBondContact O-N 3.33Å
138L98.3Very high94.4Very high0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-64.4-46.1174.7-172.770.4000111.7L53 F56 T69 I81 R134 L135 E136 K141 F142 I147L53-L138 HydrophobicContact CD2-CB 4.14Å; L53-L138 HydrophobicContact CD2-CD1 3.85Å; F56-L138 HydrophobicContact CB-CD1 4.17Å; F56-L138 HydrophobicContact CD1-CD1 4.37Å; F56-L138 HydrophobicContact CD2-CD1 3.27Å; F56-L138 HydrophobicContact CE2-CD1 3.7Å; F56-L138 HydrophobicContact CE2-CD2 4.34Å; F56-L138 HydrophobicContact CG-CD1 3.68Å; F56-L138 HydrophobicContact CZ-CD1 4.37Å; F56-L138 HydrophobicContact CZ-CD2 4.41Å; T69-L138 HydrophobicContact CG2-CD2 4.25Å; I81-L138 HydrophobicContact CD1-CB 4.26Å; I81-L138 HydrophobicContact CD1-CD1 4.39Å; I81-L138 HydrophobicContact CD1-CD2 4.06Å; I81-L138 HydrophobicContact CD1-CG 4.48Å; R134-L138 PolarHBondContact O-N 2.82Å; L135-L138 HydrophobicContact CD1-CD2 4.31Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3.21Å; E136-L138 VanDerWaalsContact C-N 3.3Å; E136-L138 PolarHBondContact O-N 3.14Å; L138-K141 PolarHBondContact O-N 2.74Å; L138-F142 HydrophobicContact CD1-CD2 3.64Å; L138-F142 HydrophobicContact CD1-CE2 3.85Å; L138-F142 HydrophobicContact CG-CD2 4.4Å; L138-F142 WeakPolarHBondContact O-CD2 3.25Å; L138-F142 PolarHBondContact O-N 3.4Å; L138-I147 HydrophobicContact CD2-CD1 3.8Å; L138-I147 HydrophobicContact CG-CD1 4.02Å
139F98.6Very high95.8Very high0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-64.9-42.1178.1-70.5-6.8000112.5L135 E136 K141 F142 I147 I149 L165 I166 Y169L135-F139 HydrophobicContact CD1-CD1 4.17Å; L135-F139 HydrophobicContact CD1-CE1 3.57Å; L135-F139 HydrophobicContact CD1-CE2 4.42Å; L135-F139 HydrophobicContact CD1-CZ 3.72Å; L135-F139 HydrophobicContact CD2-CE2 4.03Å; L135-F139 HydrophobicContact CD2-CZ 3.82Å; L135-F139 HydrophobicContact CG-CD1 4.46Å; L135-F139 HydrophobicContact CG-CD2 4.41Å; L135-F139 HydrophobicContact CG-CE1 3.99Å; L135-F139 HydrophobicContact CG-CE2 3.94Å; L135-F139 HydrophobicContact CG-CZ 3.72Å; L135-F139 PolarHBondContact O-N 2.98Å; E136-F139 PolarHBondContact O-N 2.86Å; F139-K141 VanDerWaalsContact C-N 3.34Å; F139-K141 PolarHBondContact O-N 2.73Å; F139-F142 CarbonylContact O-C 3.57Å; F139-I147 HydrophobicContact CD1-CD1 3.8Å; F139-I147 HydrophobicContact CE1-CD1 3.77Å; F139-I149 HydrophobicContact CE1-CD1 4.12Å; F139-I149 HydrophobicContact CZ-CD1 3.8Å; F139-L165 HydrophobicContact CD2-CB 4.27Å; F139-L165 HydrophobicContact CE2-CB 3.9Å; F139-I166 HydrophobicContact CE2-CG1 3.99Å; F139-I166 HydrophobicContact CZ-CG1 3.88Å; F139-Y169 HydrophobicContact CB-CD1 3.72Å; F139-Y169 HydrophobicContact CB-CD2 4.22Å; F139-Y169 HydrophobicContact CB-CE1 4Å; F139-Y169 HydrophobicContact CB-CE2 4.46Å; F139-Y169 HydrophobicContact CB-CG 3.85Å; F139-Y169 AromaticContact CD2-CD2 3.9Å; F139-Y169 HydrophobicContact CD2-CD2 3.9Å; F139-Y169 AromaticContact CD2-CG 3.99Å; F139-Y169 HydrophobicContact CD2-CG 3.99Å; F139-Y169 HydrophobicContact CG-CG 4.37Å
140N98.2Very high97Very high90 Ų9035.1 Ų35.148%0.48118%0.177SC..Hα-helixtrans-58.3-45.4174.2-80.1-44000111.8E136 Y169E136-N140 WeakPolarHBondContact O-CB 3.34Å; E136-N140 PolarHBondContact O-N 3.03Å; E136-N140 PolarHBondContact O-ND2 3.34Å; E136-N140 VanDerWaalsContact O-ND2 3.08Å; N140-Y169 PolarHBondContact ND2-OH 2.68Å; N140-Y169 WeakPolarHBondContact OD1-CE1 3.45Å; N140-Y169 PolarHBondContact OD1-OH 2.96Å
141K97.9Very high97.7Very high98 Ų9834.1 Ų34.143%0.42617%0.173SC..Hα-helixtrans-75.5-32.9-175.3-169171-177.6179.70113.1L53 S57 D137 L138 F139 P143L53-K141 HydrophobicContact CB-CD 4.1Å; L53-K141 HydrophobicContact CD1-CD 4.27Å; L53-K141 HydrophobicContact CD2-CD 4.32Å; L53-K141 HydrophobicContact CG-CD 4.46Å; S57-K141 VanDerWaalsContact OG-CE 3.26Å; S57-K141 WeakPolarHBondContact OG-CE 3.33Å; S57-K141 PolarHBondContact OG-NZ 2.85Å; D137-K141 WeakPolarHBondContact O-CB 3.49Å; D137-K141 PolarHBondContact O-N 3.33Å; L138-K141 PolarHBondContact O-N 2.74Å; F139-K141 VanDerWaalsContact C-N 3.34Å; F139-K141 PolarHBondContact O-N 2.73Å; K141-P143 VanDerWaalsContact C-CD 3.47Å; K141-P143 WeakPolarHBondContact O-CD 3.37Å
142F98.2Very high97.6Very high15 Ų1532.6 Ų32.67%0.06617%0.166CC..  trans-126.764.4-175.3-54.1-76000112.7L53 F56 S57 L60 F67 L138 F139 N144 T145 R171L53-F142 HydrophobicContact CD2-CE2 4.44Å; F56-F142 HydrophobicContact CB-CD2 4.42Å; F56-F142 HydrophobicContact CB-CE2 3.64Å; F56-F142 HydrophobicContact CB-CZ 3.85Å; S57-F142 WeakPolarHBondContact OG-CZ 3.19Å; L60-F142 HydrophobicContact CD2-CD1 3.89Å; L60-F142 HydrophobicContact CD2-CE1 3.92Å; F67-F142 HydrophobicContact CE2-CB 3.96Å; F67-F142 AromaticContact CE2-CD1 3.96Å; F67-F142 HydrophobicContact CE2-CD1 3.96Å; F67-F142 AromaticContact CE2-CD2 3.84Å; F67-F142 HydrophobicContact CE2-CD2 3.84Å; F67-F142 HydrophobicContact CE2-CE1 4.37Å; F67-F142 HydrophobicContact CE2-CE2 4.26Å; F67-F142 AromaticContact CE2-CG 3.65Å; F67-F142 HydrophobicContact CE2-CG 3.65Å; F67-F142 HydrophobicContact CE2-CZ 4.5Å; F67-F142 HydrophobicContact CZ-CD1 4.18Å; F67-F142 HydrophobicContact CZ-CE1 4.3Å; F67-F142 HydrophobicContact CZ-CG 4.33Å; L138-F142 HydrophobicContact CD1-CD2 3.64Å; L138-F142 HydrophobicContact CD1-CE2 3.85Å; L138-F142 HydrophobicContact CG-CD2 4.4Å; L138-F142 WeakPolarHBondContact O-CD2 3.25Å; L138-F142 PolarHBondContact O-N 3.4Å; F139-F142 CarbonylContact O-C 3.57Å; F142-N144 PolarHBondContact O-N 2.84Å; F142-N144 VanDerWaalsContact O-N 3.09Å; F142-T145 PolarHBondContact O-N 3.35Å; F142-R171 PolarHBondContact O-NH1 2.92Å
143P97.7Very high97.4Very high72 Ų7235.1 Ų35.147%0.46818%0.182SC..THydrogen-bonded Turntrans-63.8-22-171.125.5-35.7000114.2K141 R171K141-P143 VanDerWaalsContact C-CD 3.47Å; K141-P143 WeakPolarHBondContact O-CD 3.37Å; P143-R171 PolarHBondContact O-NH1 3.2Å
144N97.1Very high97.3Very high138 Ų13838.1 Ų38.174%0.73820%0.197SC*.THydrogen-bonded Turntrans-113.8-7.2-173.7-59.3-39.7000114.4F142F142-N144 PolarHBondContact O-N 2.84Å; F142-N144 VanDerWaalsContact O-N 3.09Å
145T97.8Very high97.2Very high17 Ų1738.5 Ų38.510%0.10420%0.203CC..SBendtrans-83.6128.5-177.9-51.30000109.9L60 F67 F142 R171L60-T145 HydrophobicContact CD1-CG2 4.16Å; F67-T145 HydrophobicContact CD1-CG2 4.35Å; F67-T145 HydrophobicContact CD2-CG2 3.94Å; F67-T145 HydrophobicContact CE1-CG2 4.07Å; F67-T145 HydrophobicContact CE2-CG2 3.64Å; F67-T145 HydrophobicContact CG-CG2 4.29Å; F67-T145 HydrophobicContact CZ-CG2 3.72Å; F142-T145 PolarHBondContact O-N 3.35Å; T145-R171 PolarHBondContact O-NH2 3.29Å
146P98.3Very high97.2Very high16 Ų1642.7 Ų42.710%0.10423%0.225CC..  trans-55142171.7-27.333.3000113.4F34 N65 M66 F67 I174F34-P146 HydrophobicContact CB-CG 4.15Å; F34-P146 HydrophobicContact CD1-CB 4.44Å; F34-P146 HydrophobicContact CD1-CG 4.24Å; F34-P146 HydrophobicContact CD2-CB 3.81Å; F34-P146 HydrophobicContact CD2-CG 3.72Å; F34-P146 HydrophobicContact CE1-CB 4.37Å; F34-P146 HydrophobicContact CE2-CB 3.71Å; F34-P146 HydrophobicContact CE2-CG 4.16Å; F34-P146 HydrophobicContact CG-CB 4.19Å; F34-P146 HydrophobicContact CG-CG 3.77Å; F34-P146 HydrophobicContact CZ-CB 4.01Å; N65-P146 VanDerWaalsContact O-CD 3.25Å; N65-P146 WeakPolarHBondContact O-CD 3.43Å; N65-P146 WeakPolarHBondContact O-CG 3.39Å; M66-P146 WeakPolarHBondContact CA-O 3.32Å; M66-P146 HydrophobicContact CB-CB 4.04Å; M66-P146 HydrophobicContact CG-CB 3.93Å; M66-P146 WeakPolarHBondContact CG-O 3.3Å; M66-P146 HydrophobicContact SD-CB 4.41Å; F67-P146 PolarHBondContact N-O 2.93Å; P146-I174 WeakPolarHBondContact CA-O 3.15Å
147I98.6Very high97.1Very high0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-132.8134.9179.1-58.9174.8000109.7F67 T69 L138 F139 I149 R171 I174 T175 V176F67-I147 HydrophobicContact CB-CG1 4.28Å; F67-I147 HydrophobicContact CD2-CD1 4.49Å; F67-I147 HydrophobicContact CD2-CG1 4.14Å; F67-I147 CarbonylContact O-C 3.34Å; F67-I147 WeakPolarHBondContact O-CA 3.39Å; T69-I147 HydrophobicContact CG2-CG2 3.94Å; L138-I147 HydrophobicContact CD2-CD1 3.8Å; L138-I147 HydrophobicContact CG-CD1 4.02Å; F139-I147 HydrophobicContact CD1-CD1 3.8Å; F139-I147 HydrophobicContact CE1-CD1 3.77Å; I147-I149 HydrophobicContact CG2-CD1 4.28Å; I147-I149 HydrophobicContact CG2-CG1 3.67Å; I147-R171 VanDerWaalsContact CG1-NH2 3.33Å; I147-I174 PolarHBondContact N-O 2.69Å; I147-I174 VanDerWaalsContact N-O 3.09Å; I147-T175 CarbonylContact O-C 3.53Å; I147-T175 VanDerWaalsContact O-CA 3.3Å; I147-T175 WeakPolarHBondContact O-CA 3.39Å; I147-V176 PolarHBondContact O-N 2.83Å
148N98.5Very high97.1Very high1 Ų142.8 Ų42.81%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-102.1124.7167.2-175.616.9000109.8M66 F67 E68 T69 V176 F198 E227M66-N148 HydrophobicContact CE-CB 3.97Å; M66-N148 HydrophobicContact CG-CB 4.49Å; M66-N148 HydrophobicContact SD-CB 4.07Å; F67-N148 PolarHBondContact O-N 3Å; E68-N148 CarbonylContact C-O 3.56Å; E68-N148 WeakPolarHBondContact CA-O 3.3Å; E68-N148 HydrophobicContact CB-CB 4.24Å; E68-N148 HydrophobicContact CG-CB 4.29Å; T69-N148 PolarHBondContact N-O 3.27Å; N148-V176 CarbonylContact C-O 3.51Å; N148-V176 VanDerWaalsContact CA-O 3.3Å; N148-V176 WeakPolarHBondContact CA-O 3.49Å; N148-F198 VanDerWaalsContact OD1-CD1 3.32Å; N148-F198 WeakPolarHBondContact OD1-CD1 3.43Å; N148-F198 WeakPolarHBondContact OD1-CE1 3.5Å; N148-E227 PolarHBondContact ND2-OE1 2.92Å; N148-E227 PolarHBondContact ND2-OE2 3.42Å; N148-E227 PolarHBondContact OD1-OE1 3.24Å
149I98.6Very high97.1Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-118.1115-174.4-56.1178.6000110.3T69 C71 L135 F139 I147 I151 V162 I166 T175 V176 W177 G178T69-I149 HydrophobicContact CG2-CG1 4.1Å; T69-I149 WeakPolarHBondContact O-CA 3.44Å; C71-I149 HydrophobicContact CB-CG2 4.24Å; C71-I149 WeakPolarHBondContact SG-CG2 3.39Å; L135-I149 HydrophobicContact CD1-CD1 3.94Å; L135-I149 HydrophobicContact CD2-CD1 4.12Å; F139-I149 HydrophobicContact CE1-CD1 4.12Å; F139-I149 HydrophobicContact CZ-CD1 3.8Å; I147-I149 HydrophobicContact CG2-CD1 4.28Å; I147-I149 HydrophobicContact CG2-CG1 3.67Å; I149-I151 HydrophobicContact CG2-CD1 4.03Å; I149-V162 HydrophobicContact CD1-CG1 4.39Å; I149-V162 HydrophobicContact CG2-CG1 4.41Å; I149-I166 HydrophobicContact CD1-CD1 4.3Å; I149-T175 HydrophobicContact CD1-CG2 3.63Å; I149-T175 HydrophobicContact CG1-CG2 4.08Å; I149-V176 PolarHBondContact N-O 3.43Å; I149-W177 HydrophobicContact CB-CB 4.16Å; I149-W177 VanDerWaalsContact O-CA 3.28Å; I149-W177 WeakPolarHBondContact O-CA 3.33Å; I149-G178 PolarHBondContact O-N 3.41Å; I149-G178 VanDerWaalsContact O-N 3.08Å
150D97.8Very high97.1Very high20 Ų2046.4 Ų46.411%0.10724%0.243CC..EExtended strand (participates in β ladder)trans-89.9117.5170.1-1708.3000111.3T69 D70 C71 K152 S179 F198T69-D150 PolarHBondContact O-N 2.77Å; D70-D150 WeakPolarHBondContact CA-O 3.37Å; C71-D150 PolarHBondContact N-O 2.87Å; D150-K152 PolarHBondContact O-N 2.94Å; D150-K152 WeakPolarHBondContact OD2-CE 3.18Å; D150-K152 IonicContact OD2-NZ 3.67Å; D150-K152 PolarHBondContact OD2-NZ 2.94Å; D150-S179 WeakPolarHBondContact OD1-CA 3.45Å; D150-F198 HydrophobicContact CB-CZ 4.44Å
151I97.3Very high97.1Very high0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-82.5104.3171.6-52.9-59.3000108.5C71 I149 V153 L158 I159 V162 G178 S179 V184C71-I151 HydrophobicContact CB-CD1 4.18Å; I149-I151 HydrophobicContact CG2-CD1 4.03Å; I151-V153 WeakPolarHBondContact CG2-O 3.42Å; I151-L158 HydrophobicContact CG2-CD2 3.93Å; I151-L158 HydrophobicContact CG2-CG 4.36Å; I151-I159 HydrophobicContact CG2-CG1 4.09Å; I151-V162 HydrophobicContact CD1-CB 4.2Å; I151-V162 HydrophobicContact CD1-CG1 4.1Å; I151-V162 HydrophobicContact CD1-CG2 3.87Å; I151-G178 WeakPolarHBondContact CB-O 3.38Å; I151-G178 WeakPolarHBondContact CG1-O 3.48Å; I151-G178 PolarHBondContact N-O 3.46Å; I151-S179 VanDerWaalsContact O-CB 3.29Å; I151-S179 WeakPolarHBondContact O-CB 3.27Å; I151-S179 PolarHBondContact O-OG 3.28Å; I151-V184 HydrophobicContact CB-CG1 3.96Å; I151-V184 HydrophobicContact CG2-CG1 3.75Å
152K90.3Very high97.2Very high64 Ų6439.3 Ų39.328%0.27821%0.208SC..  trans-75.8-24.6-174-65.4-61.6-172.1-164.20114.3D70 H72 D150D70-K152 HydrophobicContact CB-CG 4.18Å; D70-K152 VanDerWaalsContact CG-CE 3.41Å; D70-K152 WeakPolarHBondContact OD1-CE 3.15Å; D70-K152 IonicContact OD1-NZ 2.85Å; D70-K152 PolarHBondContact OD1-NZ 3.2Å; H72-K152 VanDerWaalsContact CE1-CB 3.42Å; H72-K152 WeakPolarHBondContact CE1-CB 3.47Å; D150-K152 PolarHBondContact O-N 2.94Å; D150-K152 WeakPolarHBondContact OD2-CE 3.18Å; D150-K152 IonicContact OD2-NZ 3.67Å; D150-K152 PolarHBondContact OD2-NZ 2.94Å
153V91.6Very high97.2Very high57 Ų5738.6 Ų38.635%0.34521%0.205SC..SBendtrans-119.6138.6-171.4-171.80000110.9H72 I151 D155 L158H72-V153 WeakPolarHBondContact ND1-CG2 3.39Å; I151-V153 WeakPolarHBondContact CG2-O 3.42Å; V153-D155 HydrophobicContact CG1-CB 4.12Å; V153-D155 PolarHBondContact O-N 3.17Å; V153-L158 HydrophobicContact CB-CD2 4.34Å
154N95.2Very high97.2Very high69 Ų6939.6 Ų39.637%0.36920%0.2SC..  trans-77.874.1171.8176.433.9000110.7V184 K187N154-V184 HydrophobicContact CB-CG2 3.53Å; N154-K187 WeakPolarHBondContact OD1-CD 3.29Å; N154-K187 WeakPolarHBondContact OD1-CE 3.48Å; N154-K187 PolarHBondContact OD1-NZ 3.28Å
155D96.2Very high97.3Very high59 Ų5933.3 Ų33.332%0.31617%0.166SC..  trans-126.7123.1-178.9-173-62.3000110.3V153 F157 L158 I159V153-D155 HydrophobicContact CG1-CB 4.12Å; V153-D155 PolarHBondContact O-N 3.17Å; D155-F157 WeakPolarHBondContact OD1-CA 3.37Å; D155-F157 VanDerWaalsContact OD1-CB 3.28Å; D155-F157 WeakPolarHBondContact OD1-CB 3.42Å; D155-F157 PolarHBondContact OD1-N 3.46Å; D155-L158 HydrophobicContact CB-CB 3.93Å; D155-L158 PolarHBondContact OD1-N 3.06Å; D155-I159 WeakPolarHBondContact O-CD1 3.26Å; D155-I159 VanDerWaalsContact O-CG1 3.28Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 3.32Å
156D97.7Very high97.3Very high88 Ų8832.5 Ų32.547%0.47116%0.161SC..Hα-helixtrans-72-29.8-176.5-70.6-40.1000112.5N160 K187D156-N160 WeakPolarHBondContact O-CB 3.07Å; D156-N160 VanDerWaalsContact O-CG 3.31Å; D156-N160 PolarHBondContact O-N 2.66Å; D156-N160 VanDerWaalsContact O-N 3.08Å; D156-N160 PolarHBondContact O-ND2 2.9Å; D156-K187 VanDerWaalsContact OD1-CD 3.28Å; D156-K187 WeakPolarHBondContact OD1-CD 3.27Å; D156-K187 WeakPolarHBondContact OD1-CE 3.24Å; D156-K187 IonicContact OD1-NZ 2.74Å; D156-K187 PolarHBondContact OD1-NZ 3.04Å; D156-K187 IonicContact OD2-NZ 3.19Å; D156-K187 PolarHBondContact OD2-NZ 2.94Å
157F97.8Very high97.3Very high94 Ų9434.3 Ų34.341%0.41217%0.168SC..Hα-helixtrans-68.2-47.9175.2-173-80.3000110.1L73 N77 D155 I159 N160 E161L73-F157 HydrophobicContact CD1-CD1 3.91Å; L73-F157 HydrophobicContact CD1-CE1 4.01Å; L73-F157 HydrophobicContact CD2-CD1 3.58Å; L73-F157 HydrophobicContact CD2-CE1 4.24Å; L73-F157 HydrophobicContact CD2-CG 4.35Å; L73-F157 HydrophobicContact CG-CD1 4.42Å; N77-F157 HydrophobicContact CB-CD1 4.49Å; N77-F157 HydrophobicContact CB-CE1 3.6Å; N77-F157 HydrophobicContact CB-CZ 3.78Å; D155-F157 WeakPolarHBondContact OD1-CA 3.37Å; D155-F157 VanDerWaalsContact OD1-CB 3.28Å; D155-F157 WeakPolarHBondContact OD1-CB 3.42Å; D155-F157 PolarHBondContact OD1-N 3.46Å; F157-I159 VanDerWaalsContact C-N 3.34Å; F157-I159 PolarHBondContact O-N 3.09Å; F157-N160 PolarHBondContact O-N 3.08Å; F157-N160 VanDerWaalsContact O-N 3.17Å; F157-E161 HydrophobicContact CD1-CB 4.37Å; F157-E161 HydrophobicContact CE1-CB 4.1Å; F157-E161 HydrophobicContact CE1-CG 4.33Å; F157-E161 WeakPolarHBondContact O-CB 3.13Å; F157-E161 PolarHBondContact O-N 3.27Å
158L98Very high97.3Very high1 Ų138 Ų381%0.00519%0.191CC..Hα-helixtrans-55.6-47.5176.817760.7000111.7C71 L73 V79 I151 V153 D155 N160 E161 V162C71-L158 HydrophobicContact CB-CD1 4.4Å; L73-L158 HydrophobicContact CB-CD1 4.35Å; L73-L158 HydrophobicContact CD1-CD1 4.47Å; V79-L158 HydrophobicContact CG1-CD1 4.17Å; V79-L158 HydrophobicContact CG2-CD1 4.16Å; I151-L158 HydrophobicContact CG2-CD2 3.93Å; I151-L158 HydrophobicContact CG2-CG 4.36Å; V153-L158 HydrophobicContact CB-CD2 4.34Å; D155-L158 HydrophobicContact CB-CB 3.93Å; D155-L158 PolarHBondContact OD1-N 3.06Å; L158-N160 VanDerWaalsContact C-N 3.35Å; L158-N160 PolarHBondContact O-N 2.88Å; L158-E161 PolarHBondContact O-N 3.5Å; L158-V162 HydrophobicContact CD1-CG2 3.94Å; L158-V162 HydrophobicContact CG-CG2 4.49Å; L158-V162 WeakPolarHBondContact O-CG2 3.37Å; L158-V162 PolarHBondContact O-N 2.65Å
159I98.4Very high97.3Very high3 Ų340.9 Ų40.92%0.01520%0.202CC..Hα-helixtrans-61.8-43.8179-66.9167.1000111I151 D155 F157 A163 W177 V184 K187 R191I151-I159 HydrophobicContact CG2-CG1 4.09Å; D155-I159 WeakPolarHBondContact O-CD1 3.26Å; D155-I159 VanDerWaalsContact O-CG1 3.28Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 3.32Å; F157-I159 VanDerWaalsContact C-N 3.34Å; F157-I159 PolarHBondContact O-N 3.09Å; I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 2.87Å; I159-W177 HydrophobicContact CG2-CH2 3.95Å; I159-W177 HydrophobicContact CG2-CZ3 4.27Å; I159-W177 WeakPolarHBondContact O-CZ3 3.37Å; I159-V184 HydrophobicContact CD1-CG1 4.13Å; I159-K187 HydrophobicContact CD1-CB 3.6Å; I159-K187 HydrophobicContact CD1-CD 3.92Å; I159-K187 HydrophobicContact CD1-CG 4.44Å; I159-R191 HydrophobicContact CG2-CB 4.07Å; I159-R191 HydrophobicContact CG2-CG 4.31Å
160N98.4Very high97.3Very high73 Ų7346.3 Ų46.339%0.3923%0.231SC..Hα-helixtrans-64-41.8178.1-81.4-52.5000112.1D156 F157 L158 A163 R164 R191D156-N160 WeakPolarHBondContact O-CB 3.07Å; D156-N160 VanDerWaalsContact O-CG 3.31Å; D156-N160 PolarHBondContact O-N 2.66Å; D156-N160 VanDerWaalsContact O-N 3.08Å; D156-N160 PolarHBondContact O-ND2 2.9Å; F157-N160 PolarHBondContact O-N 3.08Å; F157-N160 VanDerWaalsContact O-N 3.17Å; L158-N160 VanDerWaalsContact C-N 3.35Å; L158-N160 PolarHBondContact O-N 2.88Å; N160-A163 PolarHBondContact O-N 2.75Å; N160-R164 WeakPolarHBondContact O-CB 3.03Å; N160-R164 PolarHBondContact O-N 2.77Å; N160-R191 WeakPolarHBondContact OD1-CD 3.14Å; N160-R191 PolarHBondContact OD1-NE 2.88Å
161E98.3Very high97.3Very high39 Ų3945.5 Ų45.518%0.18223%0.227CC..Hα-helixtrans-74.1-39.8-176.1-171.659.8-169.500112V79 F157 L158 A163 R164 L165V79-E161 HydrophobicContact CG2-CB 3.96Å; V79-E161 HydrophobicContact CG2-CG 3.51Å; F157-E161 HydrophobicContact CD1-CB 4.37Å; F157-E161 HydrophobicContact CE1-CB 4.1Å; F157-E161 HydrophobicContact CE1-CG 4.33Å; F157-E161 WeakPolarHBondContact O-CB 3.13Å; F157-E161 PolarHBondContact O-N 3.27Å; L158-E161 PolarHBondContact O-N 3.5Å; E161-A163 PolarHBondContact O-N 2.95Å; E161-R164 VanDerWaalsContact CD-NE 3.3Å; E161-R164 PolarHBondContact O-N 2.84Å; E161-R164 IonicContact OE1-CZ 3.51Å; E161-R164 VanDerWaalsContact OE1-CZ 3.28Å; E161-R164 IonicContact OE1-NE 3.04Å; E161-R164 PolarHBondContact OE1-NE 2.73Å; E161-R164 VanDerWaalsContact OE1-NE 3.08Å; E161-R164 IonicContact OE1-NH2 2.84Å; E161-R164 PolarHBondContact OE1-NH2 3.14Å; E161-R164 IonicContact OE2-CZ 3.84Å; E161-R164 IonicContact OE2-NE 3.28Å; E161-R164 PolarHBondContact OE2-NE 3Å; E161-R164 IonicContact OE2-NH2 2.67Å; E161-L165 WeakPolarHBondContact O-CG 2.96Å; E161-L165 PolarHBondContact O-N 3.05Å
162V98.6Very high97.3Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-61.5-44.5170.8174.70000110.7C71 V79 L135 I149 I151 L158 R164 L165 I166 W177C71-V162 HydrophobicContact CB-CG2 4.27Å; V79-V162 HydrophobicContact CG1-CG2 3.77Å; V79-V162 HydrophobicContact CG2-CG2 4.3Å; L135-V162 HydrophobicContact CD2-CB 4.48Å; L135-V162 HydrophobicContact CD2-CG1 3.98Å; L135-V162 HydrophobicContact CD2-CG2 4.15Å; I149-V162 HydrophobicContact CD1-CG1 4.39Å; I149-V162 HydrophobicContact CG2-CG1 4.41Å; I151-V162 HydrophobicContact CD1-CB 4.2Å; I151-V162 HydrophobicContact CD1-CG1 4.1Å; I151-V162 HydrophobicContact CD1-CG2 3.87Å; L158-V162 HydrophobicContact CD1-CG2 3.94Å; L158-V162 HydrophobicContact CG-CG2 4.49Å; L158-V162 WeakPolarHBondContact O-CG2 3.37Å; L158-V162 PolarHBondContact O-N 2.65Å; V162-R164 VanDerWaalsContact C-N 3.34Å; V162-R164 PolarHBondContact O-N 3.42Å; V162-L165 PolarHBondContact O-N 3.29Å; V162-I166 HydrophobicContact CG1-CD1 3.85Å; V162-I166 HydrophobicContact CG1-CG1 4.44Å; V162-I166 VanDerWaalsContact O-CG1 3.32Å; V162-I166 WeakPolarHBondContact O-CG1 3.33Å; V162-I166 PolarHBondContact O-N 3.36Å; V162-W177 HydrophobicContact CB-CE3 4.37Å; V162-W177 HydrophobicContact CB-CZ3 4.15Å; V162-W177 HydrophobicContact CG1-CE3 3.71Å; V162-W177 HydrophobicContact CG1-CZ3 3.97Å
163A98.5Very high97.6Very high0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-59.2-46.2175.600000111.6I159 N160 E161 L165 I166 E167 W177 R191 I195I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 2.87Å; N160-A163 PolarHBondContact O-N 2.75Å; E161-A163 PolarHBondContact O-N 2.95Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 3.41Å; A163-I166 PolarHBondContact O-N 2.88Å; A163-E167 WeakPolarHBondContact O-CB 3.47Å; A163-E167 WeakPolarHBondContact O-CG 3.3Å; A163-E167 PolarHBondContact O-N 2.95Å; A163-W177 HydrophobicContact CB-CH2 3.61Å; A163-W177 HydrophobicContact CB-CZ2 4.48Å; A163-W177 HydrophobicContact CB-CZ3 3.96Å; A163-R191 HydrophobicContact CB-CG 3.75Å; A163-I195 HydrophobicContact CB-CD1 4.31Å
164R98.4Very high97.9Very high92 Ų9248 Ų4835%0.34724%0.236SC..Hα-helixtrans-58.8-43.1177.7-170.2-163.368.872.6-4.5111N160 E161 V162 E167 T168N160-R164 WeakPolarHBondContact O-CB 3.03Å; N160-R164 PolarHBondContact O-N 2.77Å; E161-R164 VanDerWaalsContact CD-NE 3.3Å; E161-R164 PolarHBondContact O-N 2.84Å; E161-R164 IonicContact OE1-CZ 3.51Å; E161-R164 VanDerWaalsContact OE1-CZ 3.28Å; E161-R164 IonicContact OE1-NE 3.04Å; E161-R164 PolarHBondContact OE1-NE 2.73Å; E161-R164 VanDerWaalsContact OE1-NE 3.08Å; E161-R164 IonicContact OE1-NH2 2.84Å; E161-R164 PolarHBondContact OE1-NH2 3.14Å; E161-R164 IonicContact OE2-CZ 3.84Å; E161-R164 IonicContact OE2-NE 3.28Å; E161-R164 PolarHBondContact OE2-NE 3Å; E161-R164 IonicContact OE2-NH2 2.67Å; V162-R164 VanDerWaalsContact C-N 3.34Å; V162-R164 PolarHBondContact O-N 3.42Å; R164-E167 PolarHBondContact O-N 3.42Å; R164-T168 PolarHBondContact NH1-OG1 3.11Å; R164-T168 VanDerWaalsContact O-CB 3.25Å; R164-T168 WeakPolarHBondContact O-CB 3.43Å; R164-T168 PolarHBondContact O-N 3.36Å; R164-T168 PolarHBondContact O-OG1 2.88Å
165L98.6Very high98Very high6 Ų644.7 Ų44.73%0.03122%0.218CC..Hα-helixtrans-64.1-44.7176-72.4170.9000111.4V79 L135 E136 F139 E161 V162 A163 E167 T168 Y169V79-L165 HydrophobicContact CB-CD1 4.06Å; V79-L165 HydrophobicContact CG2-CD1 4.12Å; L135-L165 HydrophobicContact CB-CD1 4.26Å; L135-L165 HydrophobicContact CD2-CD1 4.04Å; L135-L165 HydrophobicContact CG-CD1 4.4Å; E136-L165 HydrophobicContact CB-CD2 4.17Å; E136-L165 HydrophobicContact CG-CD2 4.33Å; F139-L165 HydrophobicContact CD2-CB 4.27Å; F139-L165 HydrophobicContact CE2-CB 3.9Å; E161-L165 WeakPolarHBondContact O-CG 2.96Å; E161-L165 PolarHBondContact O-N 3.05Å; V162-L165 PolarHBondContact O-N 3.29Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 3.41Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 3.02Å; L165-T168 PolarHBondContact O-N 3.49Å; L165-Y169 HydrophobicContact CD2-CE2 4.37Å; L165-Y169 WeakPolarHBondContact O-CB 2.95Å; L165-Y169 VanDerWaalsContact O-CD2 3.28Å; L165-Y169 WeakPolarHBondContact O-CD2 3.12Å; L165-Y169 PolarHBondContact O-N 3.17Å
166I98.7Very high98.1Very high0 Ų041.9 Ų41.90%020%0.203CC..Hα-helixtrans-60.2-44.3177.2-65.9166.2000111F139 I149 V162 A163 N170 R171 E172 T175 W177 I195F139-I166 HydrophobicContact CE2-CG1 3.99Å; F139-I166 HydrophobicContact CZ-CG1 3.88Å; I149-I166 HydrophobicContact CD1-CD1 4.3Å; V162-I166 HydrophobicContact CG1-CD1 3.85Å; V162-I166 HydrophobicContact CG1-CG1 4.44Å; V162-I166 VanDerWaalsContact O-CG1 3.32Å; V162-I166 WeakPolarHBondContact O-CG1 3.33Å; V162-I166 PolarHBondContact O-N 3.36Å; A163-I166 PolarHBondContact O-N 2.88Å; I166-N170 PolarHBondContact O-N 3.09Å; I166-R171 HydrophobicContact CG2-CB 4.23Å; I166-R171 PolarHBondContact O-N 3.35Å; I166-E172 HydrophobicContact CG2-CG 4.09Å; I166-T175 HydrophobicContact CD1-CG2 3.71Å; I166-T175 HydrophobicContact CG1-CG2 4.04Å; I166-W177 HydrophobicContact CD1-CD2 4.28Å; I166-W177 HydrophobicContact CD1-CE3 4.03Å; I166-I195 HydrophobicContact CB-CD1 4.05Å; I166-I195 HydrophobicContact CD1-CD1 3.92Å; I166-I195 HydrophobicContact CD1-CG2 4.08Å; I166-I195 HydrophobicContact CG2-CD1 3.88Å; I166-I195 HydrophobicContact CG2-CG1 4.01Å; I166-I195 HydrophobicContact CG2-CG2 4.38Å
167E98.3Very high98.1Very high54 Ų5437.7 Ų37.725%0.25218%0.181SC..Hα-helixtrans-63.5-48.2176.7-69.9160.2-177.100111.2A163 R164 L165 Y169 N170 R191 N192A163-E167 WeakPolarHBondContact O-CB 3.47Å; A163-E167 WeakPolarHBondContact O-CG 3.3Å; A163-E167 PolarHBondContact O-N 2.95Å; R164-E167 PolarHBondContact O-N 3.42Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 3.02Å; E167-Y169 PolarHBondContact O-N 2.69Å; E167-N170 PolarHBondContact O-N 2.81Å; E167-R191 IonicContact OE1-CZ 2.8Å; E167-R191 IonicContact OE1-NH1 3.6Å; E167-R191 PolarHBondContact OE1-NH1 3.43Å; E167-R191 IonicContact OE1-NH2 3.92Å; E167-R191 IonicContact OE2-NH1 3.44Å; E167-R191 IonicContact OE2-NH2 2.61Å; E167-R191 PolarHBondContact OE2-NH2 3.37Å; E167-N192 PolarHBondContact OE1-ND2 2.97Å
168T98.3Very high98.1Very high79 Ų7933.2 Ų33.249%0.48516%0.161SC..Hα-helixtrans-59.7-36.2-178.8-59.30000111.8R164 L165R164-T168 PolarHBondContact NH1-OG1 3.11Å; R164-T168 VanDerWaalsContact O-CB 3.25Å; R164-T168 WeakPolarHBondContact O-CB 3.43Å; R164-T168 PolarHBondContact O-N 3.36Å; R164-T168 PolarHBondContact O-OG1 2.88Å; L165-T168 PolarHBondContact O-N 3.49Å
169Y98.4Very high98Very high60 Ų6033.5 Ų33.524%0.23516%0.163CC..THydrogen-bonded Turntrans-91.82.9179.7-77.3-94.8000113.8E136 F139 N140 L165 E167 R171E136-Y169 HydrophobicContact CG-CE2 4.02Å; E136-Y169 VanDerWaalsContact CG-OH 3.28Å; E136-Y169 WeakPolarHBondContact CG-OH 3.25Å; F139-Y169 HydrophobicContact CB-CD1 3.72Å; F139-Y169 HydrophobicContact CB-CD2 4.22Å; F139-Y169 HydrophobicContact CB-CE1 4Å; F139-Y169 HydrophobicContact CB-CE2 4.46Å; F139-Y169 HydrophobicContact CB-CG 3.85Å; F139-Y169 AromaticContact CD2-CD2 3.9Å; F139-Y169 HydrophobicContact CD2-CD2 3.9Å; F139-Y169 AromaticContact CD2-CG 3.99Å; F139-Y169 HydrophobicContact CD2-CG 3.99Å; F139-Y169 HydrophobicContact CG-CG 4.37Å; N140-Y169 PolarHBondContact ND2-OH 2.68Å; N140-Y169 WeakPolarHBondContact OD1-CE1 3.45Å; N140-Y169 PolarHBondContact OD1-OH 2.96Å; L165-Y169 HydrophobicContact CD2-CE2 4.37Å; L165-Y169 WeakPolarHBondContact O-CB 2.95Å; L165-Y169 VanDerWaalsContact O-CD2 3.28Å; L165-Y169 WeakPolarHBondContact O-CD2 3.12Å; L165-Y169 PolarHBondContact O-N 3.17Å; E167-Y169 PolarHBondContact O-N 2.69Å; Y169-R171 WeakPolarHBondContact O-CG 3.28Å; Y169-R171 PolarHBondContact O-N 2.81Å
170N98Very high97.7Very high115 Ų11536 Ų3662%0.61518%0.175SC*.THydrogen-bonded Turntrans5641.9-178.2-58.5-54.5000114.2I166 E167 E172 H173I166-N170 PolarHBondContact O-N 3.09Å; E167-N170 PolarHBondContact O-N 2.81Å; N170-E172 VanDerWaalsContact C-OE2 3.24Å; N170-E172 WeakPolarHBondContact CA-OE2 3.44Å; N170-H173 PolarHBondContact O-CE1 3Å; N170-H173 PolarHBondContact O-ND1 2.71Å
171R97.6Very high97.4Very high2 Ų235.5 Ų35.51%0.00817%0.173CC..  trans-107.710.6-170.9-58.7178.154.688.34.7114.8F142 P143 T145 I147 I166 Y169 H173 I174 T175F142-R171 PolarHBondContact O-NH1 2.92Å; P143-R171 PolarHBondContact O-NH1 3.2Å; T145-R171 PolarHBondContact O-NH2 3.29Å; I147-R171 VanDerWaalsContact CG1-NH2 3.33Å; I166-R171 HydrophobicContact CG2-CB 4.23Å; I166-R171 PolarHBondContact O-N 3.35Å; Y169-R171 WeakPolarHBondContact O-CG 3.28Å; Y169-R171 PolarHBondContact O-N 2.81Å; R171-H173 PolarHBondContact O-N 3.48Å; R171-H173 VanDerWaalsContact O-N 3.1Å; R171-I174 HydrophobicContact CB-CG1 4.02Å; R171-I174 HydrophobicContact CG-CD1 4.4Å; R171-I174 HydrophobicContact CG-CG1 4.45Å; R171-I174 CarbonylContact O-C 3.54Å; R171-I174 PolarHBondContact O-N 2.98Å; R171-T175 WeakPolarHBondContact CB-OG1 3.22Å; R171-T175 VanDerWaalsContact O-CB 3.29Å; R171-T175 WeakPolarHBondContact O-CB 3.29Å; R171-T175 PolarHBondContact O-N 3.08Å; R171-T175 PolarHBondContact O-OG1 3.43Å
172E97.7Very high97.2Very high45 Ų4535.2 Ų35.221%0.2118%0.175CC..THydrogen-bonded Turntrans-55.6-33.4-176.8-59.593.3139.400112.4I166 N170 I195I166-E172 HydrophobicContact CG2-CG 4.09Å; N170-E172 VanDerWaalsContact C-OE2 3.24Å; N170-E172 WeakPolarHBondContact CA-OE2 3.44Å; E172-I195 HydrophobicContact CB-CG1 4.19Å; E172-I195 HydrophobicContact CG-CG1 3.86Å
173H96.6Very high97.1Very high109 Ų10941.3 Ų41.351%0.50520%0.202SC..THydrogen-bonded Turntrans-83-13.7-178.767.7-73.6000114.3P33 N170 R171 L196P33-H173 WeakPolarHBondContact CG-O 3.45Å; N170-H173 PolarHBondContact O-CE1 3Å; N170-H173 PolarHBondContact O-ND1 2.71Å; R171-H173 PolarHBondContact O-N 3.48Å; R171-H173 VanDerWaalsContact O-N 3.1Å; H173-L196 WeakPolarHBondContact O-CD1 3.32Å
174I97.6Very high97Very high20 Ų2041.5 Ų41.510%0.10320%0.202CC..THydrogen-bonded Turntrans-123.87.3178.857.5172.2000113.2F34 P146 I147 R171F34-I174 HydrophobicContact CD1-CG2 4.25Å; P146-I174 WeakPolarHBondContact CA-O 3.15Å; I147-I174 PolarHBondContact N-O 2.69Å; I147-I174 VanDerWaalsContact N-O 3.09Å; R171-I174 HydrophobicContact CB-CG1 4.02Å; R171-I174 HydrophobicContact CG-CD1 4.4Å; R171-I174 HydrophobicContact CG-CG1 4.45Å; R171-I174 CarbonylContact O-C 3.54Å; R171-I174 PolarHBondContact O-N 2.98Å
175T98.4Very high96.9Very high0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-116.4121177.9-52.10000109.6I147 I149 I166 R171 L196I147-T175 CarbonylContact O-C 3.53Å; I147-T175 VanDerWaalsContact O-CA 3.3Å; I147-T175 WeakPolarHBondContact O-CA 3.39Å; I149-T175 HydrophobicContact CD1-CG2 3.63Å; I149-T175 HydrophobicContact CG1-CG2 4.08Å; I166-T175 HydrophobicContact CD1-CG2 3.71Å; I166-T175 HydrophobicContact CG1-CG2 4.04Å; R171-T175 WeakPolarHBondContact CB-OG1 3.22Å; R171-T175 VanDerWaalsContact O-CB 3.29Å; R171-T175 WeakPolarHBondContact O-CB 3.29Å; R171-T175 PolarHBondContact O-N 3.08Å; R171-T175 PolarHBondContact O-OG1 3.43Å; T175-L196 WeakPolarHBondContact O-CB 3.41Å; T175-L196 PolarHBondContact O-N 3.32Å
176V97.9Very high96.8Very high0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-93.1137.7163.9-171.70000107.3F34 I147 N148 I149 L196 F198F34-V176 HydrophobicContact CZ-CG2 3.99Å; I147-V176 PolarHBondContact O-N 2.83Å; N148-V176 CarbonylContact C-O 3.51Å; N148-V176 VanDerWaalsContact CA-O 3.3Å; N148-V176 WeakPolarHBondContact CA-O 3.49Å; I149-V176 PolarHBondContact N-O 3.43Å; V176-L196 CarbonylContact C-O 3.12Å; V176-L196 VanDerWaalsContact CA-O 3.28Å; V176-L196 WeakPolarHBondContact CA-O 3.38Å; V176-L196 HydrophobicContact CG2-CB 4.08Å; V176-F198 HydrophobicContact CG1-CB 4.1Å; V176-F198 HydrophobicContact CG1-CD1 3.91Å
177W98.1Very high96.8Very high0 Ų043 Ų430%021%0.211CC..EExtended strand (participates in β ladder)trans-142.3164.1174.179.1-25.5000112.1I149 I159 V162 A163 I166 C188 R191 I195 L196 T197 F198I149-W177 HydrophobicContact CB-CB 4.16Å; I149-W177 VanDerWaalsContact O-CA 3.28Å; I149-W177 WeakPolarHBondContact O-CA 3.33Å; I159-W177 HydrophobicContact CG2-CH2 3.95Å; I159-W177 HydrophobicContact CG2-CZ3 4.27Å; I159-W177 WeakPolarHBondContact O-CZ3 3.37Å; V162-W177 HydrophobicContact CB-CE3 4.37Å; V162-W177 HydrophobicContact CB-CZ3 4.15Å; V162-W177 HydrophobicContact CG1-CE3 3.71Å; V162-W177 HydrophobicContact CG1-CZ3 3.97Å; A163-W177 HydrophobicContact CB-CH2 3.61Å; A163-W177 HydrophobicContact CB-CZ2 4.48Å; A163-W177 HydrophobicContact CB-CZ3 3.96Å; I166-W177 HydrophobicContact CD1-CD2 4.28Å; I166-W177 HydrophobicContact CD1-CE3 4.03Å; W177-C188 HydrophobicContact CD2-CB 4.17Å; W177-C188 HydrophobicContact CH2-CB 4.09Å; W177-C188 HydrophobicContact CZ2-CB 3.67Å; W177-C188 VanDerWaalsContact CZ2-O 3.23Å; W177-C188 WeakPolarHBondContact CZ2-O 3.35Å; W177-R191 HydrophobicContact CH2-CB 4.44Å; W177-R191 HydrophobicContact CH2-CG 4.36Å; W177-I195 HydrophobicContact CB-CG2 4.41Å; W177-I195 HydrophobicContact CD2-CD1 4.4Å; W177-I195 HydrophobicContact CD2-CG2 4.03Å; W177-I195 HydrophobicContact CG-CG2 3.69Å; W177-I195 HydrophobicContact CH2-CD1 4.28Å; W177-I195 HydrophobicContact CZ2-CD1 3.85Å; W177-L196 VanDerWaalsContact CD1-O 3.29Å; W177-L196 PolarHBondContact N-O 3.32Å; W177-T197 VanDerWaalsContact O-CA 3.3Å; W177-T197 WeakPolarHBondContact O-CA 3.12Å; W177-F198 PolarHBondContact O-N 3.27Å
178G97Very high96.8Very high0 Ų040.4 Ų40.40%020%0.199CC..EExtended strand (participates in β ladder)trans164.7-152.717600000112.1I149 I151 F198I149-G178 PolarHBondContact O-N 3.41Å; I149-G178 VanDerWaalsContact O-N 3.08Å; I151-G178 WeakPolarHBondContact CB-O 3.38Å; I151-G178 WeakPolarHBondContact CG1-O 3.48Å; I151-G178 PolarHBondContact N-O 3.46Å; G178-F198 VanDerWaalsContact N-CE1 3.34Å
179S96.1Very high96.6Very high7 Ų738.2 Ų38.25%0.04918%0.183CC..  trans-159148.4172.4-177.90000108.9D150 I151 N181 V184 F198 P200D150-S179 WeakPolarHBondContact OD1-CA 3.45Å; I151-S179 VanDerWaalsContact O-CB 3.29Å; I151-S179 WeakPolarHBondContact O-CB 3.27Å; I151-S179 PolarHBondContact O-OG 3.28Å; S179-N181 PolarHBondContact O-N 3.36Å; S179-N181 PolarHBondContact OG-N 3.44Å; S179-V184 VanDerWaalsContact CB-CG1 3.49Å; S179-F198 VanDerWaalsContact N-CZ 3.31Å; S179-P200 WeakPolarHBondContact O-CB 3.46Å
180M91.5Very high96.5Very high55 Ų5540.6 Ų40.627%0.27120%0.2SC..SBendtrans-63.1-19.3169.8-70.1-60.8-79.900112.3F198 F201 W280M180-F198 HydrophobicContact SD-CE2 4.43Å; M180-F201 HydrophobicContact CE-CB 3.88Å; M180-F201 HydrophobicContact CE-CD2 4.07Å; M180-F201 HydrophobicContact CE-CG 4.46Å; M180-F201 PolarHBondContact O-N 2.95Å; M180-F201 VanDerWaalsContact O-N 3.14Å; M180-W280 HydrophobicContact CE-CZ2 4.44Å
181N93.3Very high96.5Very high62 Ų6238.9 Ų38.933%0.33219%0.185SC..SBendtrans-82.5118.6172.8-172.4-62.2000111.6S179 K183 V184 S185S179-N181 PolarHBondContact O-N 3.36Å; S179-N181 PolarHBondContact OG-N 3.44Å; N181-K183 VanDerWaalsContact C-N 3.26Å; N181-K183 PolarHBondContact O-N 2.87Å; N181-K183 VanDerWaalsContact OD1-CB 3.27Å; N181-K183 WeakPolarHBondContact OD1-CB 3.28Å; N181-K183 PolarHBondContact OD1-N 3.33Å; N181-V184 HydrophobicContact CB-CB 4.25Å; N181-V184 HydrophobicContact CB-CG2 3.99Å; N181-V184 PolarHBondContact O-N 3.21Å; N181-V184 VanDerWaalsContact O-N 3.09Å; N181-V184 PolarHBondContact OD1-N 3.45Å; N181-S185 PolarHBondContact O-N 3.19Å
182S94.5Very high96.4Very high33 Ų3339.6 Ų39.623%0.23119%0.189CC..Hα-helixtrans-62-27.5-176.5-550000114.7K186 P200 T202S182-K186 VanDerWaalsContact O-CB 3.23Å; S182-K186 WeakPolarHBondContact O-CB 3.34Å; S182-K186 PolarHBondContact O-N 2.91Å; S182-P200 WeakPolarHBondContact OG-CB 2.75Å; S182-T202 PolarHBondContact OG-OG1 3.1Å
183K95.9Very high96.3Very high129 Ų12945 Ų4556%0.56121%0.212SC*.Hα-helixtrans-70.2-43.5175.2-176.1178.6176.9178.90110.7N181 K186 K187N181-K183 VanDerWaalsContact C-N 3.26Å; N181-K183 PolarHBondContact O-N 2.87Å; N181-K183 VanDerWaalsContact OD1-CB 3.27Å; N181-K183 WeakPolarHBondContact OD1-CB 3.28Å; N181-K183 PolarHBondContact OD1-N 3.33Å; K183-K186 PolarHBondContact O-N 3.39Å; K183-K187 WeakPolarHBondContact O-CG 3.48Å; K183-K187 PolarHBondContact O-N 2.97Å; K183-K187 VanDerWaalsContact O-N 3.16Å
184V96.7Very high96.2Very high3 Ų345.8 Ų45.82%0.01822%0.219CC..Hα-helixtrans-68.7-48.9177.9-177.90000110.4I151 N154 I159 S179 N181 K186 K187 C188I151-V184 HydrophobicContact CB-CG1 3.96Å; I151-V184 HydrophobicContact CG2-CG1 3.75Å; N154-V184 HydrophobicContact CB-CG2 3.53Å; I159-V184 HydrophobicContact CD1-CG1 4.13Å; S179-V184 VanDerWaalsContact CB-CG1 3.49Å; N181-V184 HydrophobicContact CB-CB 4.25Å; N181-V184 HydrophobicContact CB-CG2 3.99Å; N181-V184 PolarHBondContact O-N 3.21Å; N181-V184 VanDerWaalsContact O-N 3.09Å; N181-V184 PolarHBondContact OD1-N 3.45Å; V184-K186 PolarHBondContact O-N 2.97Å; V184-K187 WeakPolarHBondContact O-CA 3.49Å; V184-K187 WeakPolarHBondContact O-CB 3.44Å; V184-K187 PolarHBondContact O-N 2.91Å; V184-C188 PolarHBondContact O-N 2.99Å; V184-C188 PolarHBondContact O-SG 3.01Å; V184-C188 VanDerWaalsContact O-SG 3.34Å
185S96.5Very high96.2Very high0 Ų044.9 Ų44.90%022%0.215CC..Hα-helixtrans-54.7-40.1175176.30000112.3N181 C188 E189 Y223N181-S185 PolarHBondContact O-N 3.19Å; S185-C188 PolarHBondContact O-N 3.44Å; S185-E189 PolarHBondContact O-N 2.92Å; S185-Y223 VanDerWaalsContact OG-CE1 3.27Å; S185-Y223 WeakPolarHBondContact OG-CE1 3.33Å
186K96.5Very high96.1Very high82 Ų8246 Ų4636%0.35722%0.221SC..Hα-helixtrans-65.1-38.9175.3-175.762.8-172.5163.50112.7S182 K183 V184 E189 L190S182-K186 VanDerWaalsContact O-CB 3.23Å; S182-K186 WeakPolarHBondContact O-CB 3.34Å; S182-K186 PolarHBondContact O-N 2.91Å; K183-K186 PolarHBondContact O-N 3.39Å; V184-K186 PolarHBondContact O-N 2.97Å; K186-E189 WeakPolarHBondContact CD-OE2 3.32Å; K186-E189 IonicContact NZ-OE1 3.76Å; K186-E189 IonicContact NZ-OE2 2.91Å; K186-E189 PolarHBondContact NZ-OE2 2.89Å; K186-L190 HydrophobicContact CG-CD1 4.21Å; K186-L190 WeakPolarHBondContact O-CB 3.34Å; K186-L190 VanDerWaalsContact O-CG 3.25Å; K186-L190 WeakPolarHBondContact O-CG 3.47Å; K186-L190 PolarHBondContact O-N 2.84Å
187K97.9Very high96.1Very high47 Ų4746.4 Ų46.420%0.20422%0.223CC..Hα-helixtrans-65.2-43.6175.1-73.3173162-157.20111.5N154 D156 I159 K183 V184 L190 R191N154-K187 WeakPolarHBondContact OD1-CD 3.29Å; N154-K187 WeakPolarHBondContact OD1-CE 3.48Å; N154-K187 PolarHBondContact OD1-NZ 3.28Å; D156-K187 VanDerWaalsContact OD1-CD 3.28Å; D156-K187 WeakPolarHBondContact OD1-CD 3.27Å; D156-K187 WeakPolarHBondContact OD1-CE 3.24Å; D156-K187 IonicContact OD1-NZ 2.74Å; D156-K187 PolarHBondContact OD1-NZ 3.04Å; D156-K187 IonicContact OD2-NZ 3.19Å; D156-K187 PolarHBondContact OD2-NZ 2.94Å; I159-K187 HydrophobicContact CD1-CB 3.6Å; I159-K187 HydrophobicContact CD1-CD 3.92Å; I159-K187 HydrophobicContact CD1-CG 4.44Å; K183-K187 WeakPolarHBondContact O-CG 3.48Å; K183-K187 PolarHBondContact O-N 2.97Å; K183-K187 VanDerWaalsContact O-N 3.16Å; V184-K187 WeakPolarHBondContact O-CA 3.49Å; V184-K187 WeakPolarHBondContact O-CB 3.44Å; V184-K187 PolarHBondContact O-N 2.91Å; K187-L190 PolarHBondContact O-N 3.17Å; K187-R191 WeakPolarHBondContact O-CB 3.32Å; K187-R191 PolarHBondContact O-N 3.19Å
188C97.6Very high96.1Very high0 Ų046.4 Ų46.40%022%0.223CC..Hα-helixtrans-56.8-52.5174.3-60.30000111.3W177 V184 S185 L190 R191 N192W177-C188 HydrophobicContact CD2-CB 4.17Å; W177-C188 HydrophobicContact CH2-CB 4.09Å; W177-C188 HydrophobicContact CZ2-CB 3.67Å; W177-C188 VanDerWaalsContact CZ2-O 3.23Å; W177-C188 WeakPolarHBondContact CZ2-O 3.35Å; V184-C188 PolarHBondContact O-N 2.99Å; V184-C188 PolarHBondContact O-SG 3.01Å; V184-C188 VanDerWaalsContact O-SG 3.34Å; S185-C188 PolarHBondContact O-N 3.44Å; C188-L190 VanDerWaalsContact C-N 3.29Å; C188-L190 PolarHBondContact O-N 3.5Å; C188-R191 PolarHBondContact O-N 3.36Å; C188-R191 VanDerWaalsContact O-N 3.12Å; C188-N192 PolarHBondContact O-N 3.11Å
189E95.2Very high96Very high33 Ų3346.4 Ų46.415%0.15422%0.223CC..Hα-helixtrans-57.7-39.6177.8-173.7-141.4177.100112.7S185 K186 K193 K222S185-E189 PolarHBondContact O-N 2.92Å; K186-E189 WeakPolarHBondContact CD-OE2 3.32Å; K186-E189 IonicContact NZ-OE1 3.76Å; K186-E189 IonicContact NZ-OE2 2.91Å; K186-E189 PolarHBondContact NZ-OE2 2.89Å; E189-K193 VanDerWaalsContact O-CG 3.3Å; E189-K193 WeakPolarHBondContact O-CG 3.41Å; E189-K222 VanDerWaalsContact CD-NZ 3.27Å; E189-K222 WeakPolarHBondContact OE1-CE 3.37Å; E189-K222 IonicContact OE1-NZ 3.72Å; E189-K222 PolarHBondContact OE1-NZ 2.67Å; E189-K222 WeakPolarHBondContact OE2-CE 3.46Å; E189-K222 IonicContact OE2-NZ 3.62Å; E189-K222 PolarHBondContact OE2-NZ 3.02Å
190L96.4Very high96Very high110 Ų11046.1 Ų46.158%0.57622%0.221SC*.Hα-helixtrans-71.4-33.9178.1-73.2174.2000112.6K186 K187 C188K186-L190 HydrophobicContact CG-CD1 4.21Å; K186-L190 WeakPolarHBondContact O-CB 3.34Å; K186-L190 VanDerWaalsContact O-CG 3.25Å; K186-L190 WeakPolarHBondContact O-CG 3.47Å; K186-L190 PolarHBondContact O-N 2.84Å; K187-L190 PolarHBondContact O-N 3.17Å; C188-L190 VanDerWaalsContact C-N 3.29Å; C188-L190 PolarHBondContact O-N 3.5Å
191R97.8Very high96Very high79 Ų7947.1 Ų47.130%0.29822%0.224SC..Hα-helixtrans-68.4-42.9179.7174.253.1-177.477.87.5112.2I159 N160 A163 E167 W177 K187 C188I159-R191 HydrophobicContact CG2-CB 4.07Å; I159-R191 HydrophobicContact CG2-CG 4.31Å; N160-R191 WeakPolarHBondContact OD1-CD 3.14Å; N160-R191 PolarHBondContact OD1-NE 2.88Å; A163-R191 HydrophobicContact CB-CG 3.75Å; E167-R191 IonicContact OE1-CZ 2.8Å; E167-R191 IonicContact OE1-NH1 3.6Å; E167-R191 PolarHBondContact OE1-NH1 3.43Å; E167-R191 IonicContact OE1-NH2 3.92Å; E167-R191 IonicContact OE2-NH1 3.44Å; E167-R191 IonicContact OE2-NH2 2.61Å; E167-R191 PolarHBondContact OE2-NH2 3.37Å; W177-R191 HydrophobicContact CH2-CB 4.44Å; W177-R191 HydrophobicContact CH2-CG 4.36Å; K187-R191 WeakPolarHBondContact O-CB 3.32Å; K187-R191 PolarHBondContact O-N 3.19Å; C188-R191 PolarHBondContact O-N 3.36Å; C188-R191 VanDerWaalsContact O-N 3.12Å
192N95.9Very high95.9Very high17 Ų1748.4 Ų48.49%0.09123%0.234CC..  trans-153.7113.3175-171.1-23.5000110.9E167 C188 N194 I195E167-N192 PolarHBondContact OE1-ND2 2.97Å; C188-N192 PolarHBondContact O-N 3.11Å; N192-N194 VanDerWaalsContact C-N 3.31Å; N192-N194 PolarHBondContact O-N 2.55Å; N192-N194 VanDerWaalsContact OD1-CB 3.3Å; N192-N194 WeakPolarHBondContact OD1-CB 3.47Å; N192-N194 PolarHBondContact OD1-N 2.88Å; N192-I195 HydrophobicContact CB-CD1 3.79Å; N192-I195 HydrophobicContact CB-CG1 4.03Å
193K94.5Very high95.8Very high160 Ų16048.4 Ų48.470%0.69623%0.229SC*.THydrogen-bonded Turntrans-78.6-11.1-179.6-65.1-179.6-177.7174.50114.1E189E189-K193 VanDerWaalsContact O-CG 3.3Å; E189-K193 WeakPolarHBondContact O-CG 3.41Å
194N95.5Very high95.7Very high124 Ų12442.7 Ų42.766%0.66321%0.205SC*.THydrogen-bonded Turntrans-86.2-21.1-179.3-60.7-28.8000112.1N192N192-N194 VanDerWaalsContact C-N 3.31Å; N192-N194 PolarHBondContact O-N 2.55Å; N192-N194 VanDerWaalsContact OD1-CB 3.3Å; N192-N194 WeakPolarHBondContact OD1-CB 3.47Å; N192-N194 PolarHBondContact OD1-N 2.88Å
195I97.1Very high95.5Very high2 Ų245.4 Ų45.41%0.0122%0.219CC..SBendtrans-77.5133.2174.9-53.4174.3000108.6A163 I166 E172 W177 N192A163-I195 HydrophobicContact CB-CD1 4.31Å; I166-I195 HydrophobicContact CB-CD1 4.05Å; I166-I195 HydrophobicContact CD1-CD1 3.92Å; I166-I195 HydrophobicContact CD1-CG2 4.08Å; I166-I195 HydrophobicContact CG2-CD1 3.88Å; I166-I195 HydrophobicContact CG2-CG1 4.01Å; I166-I195 HydrophobicContact CG2-CG2 4.38Å; E172-I195 HydrophobicContact CB-CG1 4.19Å; E172-I195 HydrophobicContact CG-CG1 3.86Å; W177-I195 HydrophobicContact CB-CG2 4.41Å; W177-I195 HydrophobicContact CD2-CD1 4.4Å; W177-I195 HydrophobicContact CD2-CG2 4.03Å; W177-I195 HydrophobicContact CG-CG2 3.69Å; W177-I195 HydrophobicContact CH2-CD1 4.28Å; W177-I195 HydrophobicContact CZ2-CD1 3.85Å; N192-I195 HydrophobicContact CB-CD1 3.79Å; N192-I195 HydrophobicContact CB-CG1 4.03Å
196L97.2Very high95.4Very high23 Ų2352 Ų5212%0.1224%0.244CC..EExtended strand (participates in β ladder)trans-67.6143.3-177.5-54.4165.2000110.3L32 F34 H173 T175 V176 W177 D224L32-L196 HydrophobicContact CD2-CB 4.3Å; L32-L196 HydrophobicContact CD2-CD1 3.83Å; L32-L196 HydrophobicContact CD2-CD2 4.06Å; L32-L196 HydrophobicContact CD2-CG 4.27Å; F34-L196 HydrophobicContact CE1-CD1 3.83Å; F34-L196 HydrophobicContact CZ-CD1 4.46Å; H173-L196 WeakPolarHBondContact O-CD1 3.32Å; T175-L196 WeakPolarHBondContact O-CB 3.41Å; T175-L196 PolarHBondContact O-N 3.32Å; V176-L196 CarbonylContact C-O 3.12Å; V176-L196 VanDerWaalsContact CA-O 3.28Å; V176-L196 WeakPolarHBondContact CA-O 3.38Å; V176-L196 HydrophobicContact CG2-CB 4.08Å; W177-L196 VanDerWaalsContact CD1-O 3.29Å; W177-L196 PolarHBondContact N-O 3.32Å; L196-D224 HydrophobicContact CB-CB 4.29Å; L196-D224 HydrophobicContact CD2-CB 4.37Å
197T97.2Very high95.3Very high8 Ų848 Ų485%0.04923%0.227CC..EExtended strand (participates in β ladder)trans-127142.1-173.455.20000113.8W177 Y223 D224 C225W177-T197 VanDerWaalsContact O-CA 3.3Å; W177-T197 WeakPolarHBondContact O-CA 3.12Å; T197-Y223 WeakPolarHBondContact OG1-CD1 3.49Å; T197-D224 PolarHBondContact N-OD2 3.36Å; T197-D224 WeakPolarHBondContact O-CA 3.36Å; T197-D224 WeakPolarHBondContact O-CB 3.49Å; T197-D224 PolarHBondContact O-N 3.02Å; T197-D224 PolarHBondContact OG1-OD2 3.06Å; T197-C225 PolarHBondContact O-N 3.29Å
198F97Very high95.1Very high1 Ų146.3 Ų46.30%0.00422%0.219CC..BIsolated β-bridgetrans-94.6151.1167.863.9-104000112N148 D150 V176 W177 G178 S179 M180 Y223 C225 E227N148-F198 VanDerWaalsContact OD1-CD1 3.32Å; N148-F198 WeakPolarHBondContact OD1-CD1 3.43Å; N148-F198 WeakPolarHBondContact OD1-CE1 3.5Å; D150-F198 HydrophobicContact CB-CZ 4.44Å; V176-F198 HydrophobicContact CG1-CB 4.1Å; V176-F198 HydrophobicContact CG1-CD1 3.91Å; W177-F198 PolarHBondContact O-N 3.27Å; G178-F198 VanDerWaalsContact N-CE1 3.34Å; S179-F198 VanDerWaalsContact N-CZ 3.31Å; M180-F198 HydrophobicContact SD-CE2 4.43Å; F198-Y223 WeakPolarHBondContact O-CD1 3.44Å; F198-C225 WeakPolarHBondContact CA-O 3.27Å; F198-E227 HydrophobicContact CB-CG 4.34Å; F198-E227 WeakPolarHBondContact CB-OE1 3.33Å; F198-E227 VanDerWaalsContact CD1-OE1 3.25Å; F198-E227 WeakPolarHBondContact CD1-OE1 3.38Å; F198-E227 VanDerWaalsContact CG-OE1 3.32Å; F198-E227 WeakPolarHBondContact CG-OE1 3.14Å
199A96.4Very high94.9Very high0 Ų048.4 Ų48.40%024%0.237CC..PPolyproline II helixtrans-70.9128.4-178.600000112.6Y203 V204 Y223 C225 F226A199-Y203 HydrophobicContact CB-CD1 3.93Å; A199-V204 HydrophobicContact CB-CG2 3.99Å; A199-Y223 HydrophobicContact CB-CD2 3.93Å; A199-Y223 HydrophobicContact CB-CG 4.09Å; A199-C225 PolarHBondContact N-O 2.85Å; A199-F226 HydrophobicContact CB-CD1 3.74Å; A199-F226 HydrophobicContact CB-CE1 3.83Å; A199-F226 HydrophobicContact CB-CG 4.46Å
200P95.8Very high94.9Very high0 Ų047 Ų470%023%0.23CC..PPolyproline II helixtrans-72161.2174.531.5-35.7000111.2S179 S182 T202 Y203 V204 Y223S179-P200 WeakPolarHBondContact O-CB 3.46Å; S182-P200 WeakPolarHBondContact OG-CB 2.75Å; P200-T202 PolarHBondContact O-N 2.83Å; P200-Y203 WeakPolarHBondContact O-CB 3.39Å; P200-Y203 PolarHBondContact O-N 2.65Å; P200-V204 PolarHBondContact O-N 2.9Å; P200-V204 VanDerWaalsContact O-N 3.08Å; P200-Y223 VanDerWaalsContact CD-CE2 3.49Å; P200-Y223 HydrophobicContact CG-CE2 4.25Å
201F90.8Very high94.8Very high77 Ų7743.2 Ų43.234%0.33821%0.209SC..Hα-helixtrans-53.4-47.6-172.2-176.5-104.1000114M180 Y203 V204 I205 L249M180-F201 HydrophobicContact CE-CB 3.88Å; M180-F201 HydrophobicContact CE-CD2 4.07Å; M180-F201 HydrophobicContact CE-CG 4.46Å; M180-F201 PolarHBondContact O-N 2.95Å; M180-F201 VanDerWaalsContact O-N 3.14Å; F201-Y203 PolarHBondContact O-N 3.1Å; F201-V204 WeakPolarHBondContact O-CB 3.41Å; F201-V204 PolarHBondContact O-N 3.37Å; F201-V204 VanDerWaalsContact O-N 3.12Å; F201-I205 HydrophobicContact CD1-CG1 4.33Å; F201-I205 HydrophobicContact CE1-CD1 4.32Å; F201-I205 HydrophobicContact CE1-CG1 3.92Å; F201-I205 HydrophobicContact CE2-CD1 4.39Å; F201-I205 HydrophobicContact CZ-CD1 3.95Å; F201-I205 HydrophobicContact CZ-CG1 4.05Å; F201-I205 PolarHBondContact O-N 3.05Å; F201-L249 HydrophobicContact CE1-CD1 4Å; F201-L249 HydrophobicContact CZ-CD1 4.18Å
202T90.8Very high94.6Very high89 Ų8943.3 Ų43.355%0.54622%0.218SC..Hα-helixtrans-67.3-27.3-177.873.60000112.3S182 P200 W206S182-T202 PolarHBondContact OG-OG1 3.1Å; P200-T202 PolarHBondContact O-N 2.83Å; T202-W206 PolarHBondContact O-N 2.89Å; T202-W206 VanDerWaalsContact O-N 3.1Å
203Y94.3Very high94.4Very high33 Ų3346.4 Ų46.413%0.12924%0.237CC..Hα-helixtrans-73.6-37.5174.5-169.5-94.6000111.2A199 P200 F201 I205 W206 I207 I221 K222 Y223A199-Y203 HydrophobicContact CB-CD1 3.93Å; P200-Y203 WeakPolarHBondContact O-CB 3.39Å; P200-Y203 PolarHBondContact O-N 2.65Å; F201-Y203 PolarHBondContact O-N 3.1Å; Y203-I205 VanDerWaalsContact C-N 3.34Å; Y203-I205 PolarHBondContact O-N 3.38Å; Y203-W206 WeakPolarHBondContact O-CB 3.34Å; Y203-W206 PolarHBondContact O-N 3.09Å; Y203-I207 HydrophobicContact CD1-CG1 3.8Å; Y203-I207 HydrophobicContact CE1-CD1 3.83Å; Y203-I207 HydrophobicContact CE1-CG1 3.52Å; Y203-I207 WeakPolarHBondContact O-CG1 3.23Å; Y203-I207 PolarHBondContact O-N 3.45Å; Y203-I221 HydrophobicContact CE1-CG2 4.41Å; Y203-I221 WeakPolarHBondContact OH-CA 3.49Å; Y203-K222 HydrophobicContact CE2-CB 4.43Å; Y203-K222 PolarHBondContact OH-N 2.97Å; Y203-Y223 AromaticContact CD1-CD2 3.47Å; Y203-Y223 HydrophobicContact CD1-CD2 3.47Å; Y203-Y223 VanDerWaalsContact CD1-CD2 3.47Å; Y203-Y223 AromaticContact CD1-CE2 3.63Å; Y203-Y223 HydrophobicContact CD1-CE2 3.63Å; Y203-Y223 HydrophobicContact CD2-CD2 4.27Å; Y203-Y223 AromaticContact CD2-CE2 3.66Å; Y203-Y223 HydrophobicContact CD2-CE2 3.66Å; Y203-Y223 AromaticContact CE1-CD2 3.53Å; Y203-Y223 HydrophobicContact CE1-CD2 3.53Å; Y203-Y223 AromaticContact CE1-CE2 3.94Å; Y203-Y223 HydrophobicContact CE1-CE2 3.94Å; Y203-Y223 HydrophobicContact CE2-CD2 4.32Å; Y203-Y223 AromaticContact CE2-CE2 3.97Å; Y203-Y223 HydrophobicContact CE2-CE2 3.97Å; Y203-Y223 AromaticContact CG-CD2 3.84Å; Y203-Y223 HydrophobicContact CG-CD2 3.84Å; Y203-Y223 AromaticContact CG-CE2 3.46Å; Y203-Y223 HydrophobicContact CG-CE2 3.46Å; Y203-Y223 VanDerWaalsContact CG-CE2 3.46Å; Y203-Y223 AromaticContact CZ-CD2 3.96Å
204V93.5Very high94.4Very high9 Ų939.4 Ų39.46%0.05521%0.21CC..Hα-helixtrans-57.9-47.6171.8176.20000110.4A199 P200 F201 W206 I207 M208 F226 L228A199-V204 HydrophobicContact CB-CG2 3.99Å; P200-V204 PolarHBondContact O-N 2.9Å; P200-V204 VanDerWaalsContact O-N 3.08Å; F201-V204 WeakPolarHBondContact O-CB 3.41Å; F201-V204 PolarHBondContact O-N 3.37Å; F201-V204 VanDerWaalsContact O-N 3.12Å; V204-W206 VanDerWaalsContact C-N 3.33Å; V204-W206 PolarHBondContact O-N 2.94Å; V204-I207 PolarHBondContact O-N 2.8Å; V204-I207 VanDerWaalsContact O-N 3.17Å; V204-M208 HydrophobicContact CG1-CG 4.41Å; V204-M208 HydrophobicContact CG1-SD 3.64Å; V204-M208 WeakPolarHBondContact O-CG 3.41Å; V204-M208 PolarHBondContact O-N 3.09Å; V204-F226 HydrophobicContact CG2-CD1 4.17Å; V204-L228 HydrophobicContact CB-CD2 4.46Å; V204-L228 HydrophobicContact CG1-CD2 3.49Å; V204-L228 VanDerWaalsContact CG1-CD2 3.49Å; V204-L228 HydrophobicContact CG2-CD2 4.07Å
205I91.5Very high94.3Very high59 Ų5936.8 Ų36.830%0.30320%0.196SC..Hα-helixtrans-59-42.3175.5-61.5-59.5000111.9F201 Y203 M208 A209F201-I205 HydrophobicContact CD1-CG1 4.33Å; F201-I205 HydrophobicContact CE1-CD1 4.32Å; F201-I205 HydrophobicContact CE1-CG1 3.92Å; F201-I205 HydrophobicContact CE2-CD1 4.39Å; F201-I205 HydrophobicContact CZ-CD1 3.95Å; F201-I205 HydrophobicContact CZ-CG1 4.05Å; F201-I205 PolarHBondContact O-N 3.05Å; Y203-I205 VanDerWaalsContact C-N 3.34Å; Y203-I205 PolarHBondContact O-N 3.38Å; I205-M208 HydrophobicContact CD1-SD 4.17Å; I205-M208 PolarHBondContact O-N 3Å; I205-A209 WeakPolarHBondContact O-CB 3.31Å; I205-A209 PolarHBondContact O-N 3.17Å
206W94.1Very high94.1Very high138 Ų13836.7 Ų36.752%0.52320%0.195SC..Hα-helixtrans-60.7-44.5175168-110.5000112.6T202 Y203 V204 M208 A209 C210T202-W206 PolarHBondContact O-N 2.89Å; T202-W206 VanDerWaalsContact O-N 3.1Å; Y203-W206 WeakPolarHBondContact O-CB 3.34Å; Y203-W206 PolarHBondContact O-N 3.09Å; V204-W206 VanDerWaalsContact C-N 3.33Å; V204-W206 PolarHBondContact O-N 2.94Å; W206-M208 VanDerWaalsContact C-N 3.31Å; W206-M208 PolarHBondContact O-N 3.49Å; W206-A209 PolarHBondContact O-N 3.21Å; W206-C210 WeakPolarHBondContact CZ2-SG 3.27Å; W206-C210 PolarHBondContact O-N 3.12Å; W206-C210 PolarHBondContact O-SG 2.95Å
207I95.3Very high93.9Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-63.6-38.3177-70.3-59.2000111.3Y203 V204 C210 Y211 L216 I221 F226 F266 L270Y203-I207 HydrophobicContact CD1-CG1 3.8Å; Y203-I207 HydrophobicContact CE1-CD1 3.83Å; Y203-I207 HydrophobicContact CE1-CG1 3.52Å; Y203-I207 WeakPolarHBondContact O-CG1 3.23Å; Y203-I207 PolarHBondContact O-N 3.45Å; V204-I207 PolarHBondContact O-N 2.8Å; V204-I207 VanDerWaalsContact O-N 3.17Å; I207-C210 WeakPolarHBondContact O-CB 3.36Å; I207-C210 PolarHBondContact O-N 2.93Å; I207-Y211 PolarHBondContact O-N 3.49Å; I207-L216 HydrophobicContact CD1-CD1 4.17Å; I207-L216 HydrophobicContact CG2-CD1 3.82Å; I207-I221 HydrophobicContact CD1-CG1 3.93Å; I207-F226 HydrophobicContact CB-CE1 4.41Å; I207-F226 HydrophobicContact CG1-CE1 4.13Å; I207-F226 HydrophobicContact CG1-CZ 4.27Å; I207-F226 HydrophobicContact CG2-CE1 4.18Å; I207-F226 HydrophobicContact CG2-CZ 4.3Å; I207-F266 HydrophobicContact CG2-CE2 3.81Å; I207-F266 HydrophobicContact CG2-CZ 3.91Å; I207-L270 HydrophobicContact CG2-CD2 4.24Å
208M94Very high93.6Very high10 Ų1039.5 Ų39.55%0.04921%0.21CC..Hα-helixtrans-68.1-40.6174.5-65.7161.866.700112V204 I205 W206 C210 Y211 V212 V260 L261 F266V204-M208 HydrophobicContact CG1-CG 4.41Å; V204-M208 HydrophobicContact CG1-SD 3.64Å; V204-M208 WeakPolarHBondContact O-CG 3.41Å; V204-M208 PolarHBondContact O-N 3.09Å; I205-M208 HydrophobicContact CD1-SD 4.17Å; I205-M208 PolarHBondContact O-N 3Å; W206-M208 VanDerWaalsContact C-N 3.31Å; W206-M208 PolarHBondContact O-N 3.49Å; M208-C210 VanDerWaalsContact C-N 3.34Å; M208-C210 PolarHBondContact O-N 2.97Å; M208-Y211 VanDerWaalsContact O-CB 3.32Å; M208-Y211 WeakPolarHBondContact O-CB 3.39Å; M208-Y211 PolarHBondContact O-N 2.95Å; M208-Y211 VanDerWaalsContact O-N 3.13Å; M208-V212 WeakPolarHBondContact O-CG2 3.28Å; M208-V212 PolarHBondContact O-N 3.28Å; M208-V260 HydrophobicContact CB-CB 4.42Å; M208-V260 HydrophobicContact CB-CG1 3.9Å; M208-V260 HydrophobicContact CE-CB 3.88Å; M208-V260 HydrophobicContact CE-CG1 4.19Å; M208-V260 HydrophobicContact CG-CB 4.38Å; M208-V260 HydrophobicContact CG-CG1 3.7Å; M208-L261 HydrophobicContact CE-CD1 4.48Å; M208-L261 HydrophobicContact CE-CD2 4.26Å; M208-L261 HydrophobicContact CE-CG 3.92Å; M208-L261 HydrophobicContact SD-CD2 4.15Å; M208-L261 HydrophobicContact SD-CG 4.43Å; M208-F266 HydrophobicContact CG-CE1 4.26Å; M208-F266 HydrophobicContact CG-CZ 3.89Å
209A93.4Very high93.4Very high45 Ų4540.6 Ų40.637%0.37222%0.217SC..Hα-helixtrans-60.4-45.9173.400000110.8I205 W206 Y211 V212 V213I205-A209 WeakPolarHBondContact O-CB 3.31Å; I205-A209 PolarHBondContact O-N 3.17Å; W206-A209 PolarHBondContact O-N 3.21Å; A209-Y211 PolarHBondContact O-N 3.23Å; A209-V212 PolarHBondContact O-N 3.09Å; A209-V213 WeakPolarHBondContact O-CG2 3.35Å; A209-V213 PolarHBondContact O-N 3.12Å
210C94.7Very high93.2Very high2 Ų245 Ų451%0.01425%0.245CC..Hα-helixtrans-57.9-36.8173.9-67.80000112.2W206 I207 M208 G214 L215 L216 V219W206-C210 WeakPolarHBondContact CZ2-SG 3.27Å; W206-C210 PolarHBondContact O-N 3.12Å; W206-C210 PolarHBondContact O-SG 2.95Å; I207-C210 WeakPolarHBondContact O-CB 3.36Å; I207-C210 PolarHBondContact O-N 2.93Å; M208-C210 VanDerWaalsContact C-N 3.34Å; M208-C210 PolarHBondContact O-N 2.97Å; C210-G214 CarbonylContact O-C 3.57Å; C210-G214 PolarHBondContact O-N 3Å; C210-G214 VanDerWaalsContact O-N 3.16Å; C210-L215 HydrophobicContact CB-CB 4.4Å; C210-L215 PolarHBondContact O-N 3.33Å; C210-L216 HydrophobicContact CB-CB 4.12Å; C210-L216 HydrophobicContact CB-CD1 4.48Å; C210-L216 PolarHBondContact O-N 3.32Å; C210-V219 HydrophobicContact CB-CG2 4.43Å
211Y94.9Very high93.1Very high32 Ų3245.7 Ų45.713%0.12525%0.248CC..Hα-helixtrans-64.4-50.2174.9174.4-105.4000111.6L20 I207 M208 A209 V213 G214 L216 V260 S263 F266L20-Y211 HydrophobicContact CD1-CD2 3.82Å; L20-Y211 HydrophobicContact CD1-CE2 3.83Å; L20-Y211 HydrophobicContact CD2-CD2 4.42Å; L20-Y211 HydrophobicContact CD2-CE2 3.78Å; L20-Y211 HydrophobicContact CG-CE2 4.37Å; I207-Y211 PolarHBondContact O-N 3.49Å; M208-Y211 VanDerWaalsContact O-CB 3.32Å; M208-Y211 WeakPolarHBondContact O-CB 3.39Å; M208-Y211 PolarHBondContact O-N 2.95Å; M208-Y211 VanDerWaalsContact O-N 3.13Å; A209-Y211 PolarHBondContact O-N 3.23Å; Y211-V213 VanDerWaalsContact C-N 3.32Å; Y211-V213 PolarHBondContact O-N 3.32Å; Y211-G214 PolarHBondContact O-N 3.36Å; Y211-G214 VanDerWaalsContact O-N 3.1Å; Y211-L216 HydrophobicContact CD2-CD2 4.06Å; Y211-L216 HydrophobicContact CG-CD2 4.47Å; Y211-V260 HydrophobicContact CD1-CB 4.39Å; Y211-V260 HydrophobicContact CD1-CG1 3.65Å; Y211-V260 HydrophobicContact CD1-CG2 3.97Å; Y211-V260 HydrophobicContact CE1-CG1 4.19Å; Y211-V260 HydrophobicContact CE1-CG2 4.38Å; Y211-V260 HydrophobicContact CG-CG1 4.35Å; Y211-S263 PolarHBondContact OH-OG 2.55Å; Y211-F266 HydrophobicContact CD1-CB 4.34Å; Y211-F266 HydrophobicContact CD1-CD2 4.21Å; Y211-F266 HydrophobicContact CD1-CG 4.49Å; Y211-F266 HydrophobicContact CD2-CB 4.07Å; Y211-F266 AromaticContact CD2-CD2 3.68Å; Y211-F266 HydrophobicContact CD2-CD2 3.68Å; Y211-F266 HydrophobicContact CD2-CG 4.32Å; Y211-F266 HydrophobicContact CE1-CB 4.08Å; Y211-F266 HydrophobicContact CE2-CB 3.77Å; Y211-F266 HydrophobicContact CE2-CD2 4.27Å; Y211-F266 HydrophobicContact CG-CB 4.33Å; Y211-F266 AromaticContact CG-CD2 3.63Å; Y211-F266 HydrophobicContact CG-CD2 3.63Å; Y211-F266 HydrophobicContact CG-CE2 4.36Å; Y211-F266 HydrophobicContact CG-CG 4.29Å
212V92.3Very high93.1Very high81 Ų8145.5 Ų45.549%0.49125%0.248SC..Hα-helixtrans-60.9-40.6-177.8172.80000111.7M208 A209 G214 V260M208-V212 WeakPolarHBondContact O-CG2 3.28Å; M208-V212 PolarHBondContact O-N 3.28Å; A209-V212 PolarHBondContact O-N 3.09Å; V212-G214 VanDerWaalsContact C-N 3.33Å; V212-V260 HydrophobicContact CG2-CG2 3.54Å
213V92.8Very high93.3Very high82 Ų8241.8 Ų41.850%0.49722%0.224SC..Hα-helixtrans-83.6-6179-56.20000113.8Y12 A209 Y211 L215Y12-V213 WeakPolarHBondContact CE1-O 3.36Å; Y12-V213 PolarHBondContact OH-O 3.32Å; A209-V213 WeakPolarHBondContact O-CG2 3.35Å; A209-V213 PolarHBondContact O-N 3.12Å; Y211-V213 VanDerWaalsContact C-N 3.32Å; Y211-V213 PolarHBondContact O-N 3.32Å; V213-L215 HydrophobicContact CG2-CB 3.98Å; V213-L215 HydrophobicContact CG2-CD1 3.79Å; V213-L215 HydrophobicContact CG2-CG 3.72Å
214G93Very high93.4Very high12 Ų1241.4 Ų41.412%0.12422%0.224CC..THydrogen-bonded Turntrans84.99.4-179.600000115.8Y12 S16 C210 Y211 V212Y12-G214 WeakPolarHBondContact OH-CA 3.43Å; Y12-G214 PolarHBondContact OH-O 2.67Å; S16-G214 WeakPolarHBondContact CB-O 3.43Å; S16-G214 VanDerWaalsContact OG-C 3.27Å; S16-G214 WeakPolarHBondContact OG-CA 3.46Å; S16-G214 PolarHBondContact OG-O 3.25Å; C210-G214 CarbonylContact O-C 3.57Å; C210-G214 PolarHBondContact O-N 3Å; C210-G214 VanDerWaalsContact O-N 3.16Å; Y211-G214 PolarHBondContact O-N 3.36Å; Y211-G214 VanDerWaalsContact O-N 3.1Å; V212-G214 VanDerWaalsContact C-N 3.33Å
215L94.1Very high93.5Very high70 Ų7041 Ų4137%0.36622%0.221SC..  trans-86-18.9179.8-69.6177.7000113.5Y12 C210 V213 P217 L218 V219Y12-L215 HydrophobicContact CE2-CD2 4.08Å; Y12-L215 WeakPolarHBondContact OH-CD2 3.28Å; Y12-L215 WeakPolarHBondContact OH-CG 3.27Å; Y12-L215 PolarHBondContact OH-N 3.03Å; C210-L215 HydrophobicContact CB-CB 4.4Å; C210-L215 PolarHBondContact O-N 3.33Å; V213-L215 HydrophobicContact CG2-CB 3.98Å; V213-L215 HydrophobicContact CG2-CD1 3.79Å; V213-L215 HydrophobicContact CG2-CG 3.72Å; L215-P217 VanDerWaalsContact C-N 3.31Å; L215-P217 VanDerWaalsContact O-N 3.12Å; L215-L218 WeakPolarHBondContact O-CB 3.33Å; L215-L218 PolarHBondContact O-N 3.43Å; L215-V219 HydrophobicContact CB-CG2 4.25Å; L215-V219 WeakPolarHBondContact O-CG2 3.3Å; L215-V219 PolarHBondContact O-N 2.94Å
216L94.2Very high93.8Very high0 Ų038.2 Ų38.20%021%0.207CC..G310 helixtrans-49.2-41.8-174.9-17960.7000114.5I207 C210 Y211 L218 V219 I221 F266 H269 L270 R273I207-L216 HydrophobicContact CD1-CD1 4.17Å; I207-L216 HydrophobicContact CG2-CD1 3.82Å; C210-L216 HydrophobicContact CB-CB 4.12Å; C210-L216 HydrophobicContact CB-CD1 4.48Å; C210-L216 PolarHBondContact O-N 3.32Å; Y211-L216 HydrophobicContact CD2-CD2 4.06Å; Y211-L216 HydrophobicContact CG-CD2 4.47Å; L216-L218 PolarHBondContact O-N 3.15Å; L216-L218 VanDerWaalsContact O-N 3.12Å; L216-V219 PolarHBondContact O-N 3.43Å; L216-I221 HydrophobicContact CD1-CD1 4.45Å; L216-F266 HydrophobicContact CD2-CD2 3.78Å; L216-F266 HydrophobicContact CD2-CE2 3.73Å; L216-H269 VanDerWaalsContact CD2-CD2 3.46Å; L216-H269 WeakPolarHBondContact CD2-CD2 3.48Å; L216-L270 HydrophobicContact CD2-CD2 4.46Å; L216-R273 PolarHBondContact O-NH1 3.04Å
217P91.8Very high93.8Very high1 Ų132.2 Ų32.21%0.00619%0.185CC..G310 helixtrans-64.1-17.3179.5-20.633.5000114.8L19 L20 L27 L215L19-P217 HydrophobicContact CB-CB 3.43Å; L19-P217 VanDerWaalsContact CB-CB 3.43Å; L19-P217 HydrophobicContact CB-CG 4.1Å; L20-P217 HydrophobicContact CB-CG 3.84Å; L20-P217 HydrophobicContact CD1-CG 4.12Å; L27-P217 WeakPolarHBondContact CD1-O 3.4Å; L215-P217 VanDerWaalsContact C-N 3.31Å; L215-P217 VanDerWaalsContact O-N 3.12Å
218L90.9Very high93.8Very high89 Ų8932.3 Ų32.347%0.46619%0.185SC..G310 helixtrans-103.4-14.5-178.1-55.4177.9000112.6L19 I24 L215 L216L19-L218 HydrophobicContact CD1-CD2 3.66Å; I24-L218 HydrophobicContact CD1-CD2 4.17Å; L215-L218 WeakPolarHBondContact O-CB 3.33Å; L215-L218 PolarHBondContact O-N 3.43Å; L216-L218 PolarHBondContact O-N 3.15Å; L216-L218 VanDerWaalsContact O-N 3.12Å
219V92Very high93.6Very high24 Ų2432.4 Ų32.415%0.14519%0.187CC..SBendtrans-88.8121.6-175.8171.40000110C210 L215 L216 R273C210-V219 HydrophobicContact CB-CG2 4.43Å; L215-V219 HydrophobicContact CB-CG2 4.25Å; L215-V219 WeakPolarHBondContact O-CG2 3.3Å; L215-V219 PolarHBondContact O-N 2.94Å; L216-V219 PolarHBondContact O-N 3.43Å; V219-R273 PolarHBondContact O-NH1 3.31Å; V219-R273 PolarHBondContact O-NH2 3.21Å
220P92.6Very high93.1Very high91 Ų9130.4 Ų30.459%0.59117%0.17SC*.PPolyproline II helixtrans-64.9136.8172.127.2-33000110.6L27L27-P220 HydrophobicContact CD2-CB 4.36Å
221I93.4Very high92.2Very high15 Ų1530.7 Ų30.78%0.07717%0.171CC..PPolyproline II helixtrans-99.3132.5177.3-66.6166.7000108.4Y203 I207 L216 F226 L270 F275Y203-I221 HydrophobicContact CE1-CG2 4.41Å; Y203-I221 WeakPolarHBondContact OH-CA 3.49Å; I207-I221 HydrophobicContact CD1-CG1 3.93Å; L216-I221 HydrophobicContact CD1-CD1 4.45Å; I221-F226 HydrophobicContact CD1-CE2 4.33Å; I221-F226 HydrophobicContact CD1-CZ 4.22Å; I221-F226 HydrophobicContact CG2-CE2 3.92Å; I221-F226 HydrophobicContact CG2-CZ 3.75Å; I221-L270 HydrophobicContact CD1-CD2 3.62Å; I221-F275 HydrophobicContact CB-CD1 4.44Å; I221-F275 HydrophobicContact CB-CD2 4.26Å; I221-F275 HydrophobicContact CB-CE1 3.83Å; I221-F275 HydrophobicContact CB-CE2 3.63Å; I221-F275 HydrophobicContact CB-CZ 3.4Å; I221-F275 VanDerWaalsContact CB-CZ 3.4Å; I221-F275 HydrophobicContact CD1-CD2 3.66Å; I221-F275 HydrophobicContact CD1-CE2 3.64Å; I221-F275 HydrophobicContact CD1-CG 4.37Å; I221-F275 HydrophobicContact CD1-CZ 4.32Å; I221-F275 HydrophobicContact CG1-CE2 4.16Å; I221-F275 HydrophobicContact CG1-CZ 4.41Å; I221-F275 HydrophobicContact CG2-CD1 3.76Å; I221-F275 HydrophobicContact CG2-CD2 4.26Å; I221-F275 HydrophobicContact CG2-CE1 3.46Å; I221-F275 VanDerWaalsContact CG2-CE1 3.46Å; I221-F275 HydrophobicContact CG2-CE2 4.01Å; I221-F275 HydrophobicContact CG2-CG 4.17Å; I221-F275 HydrophobicContact CG2-CZ 3.62Å
222K92.2Very high91.3Very high74 Ų7431.1 Ų31.132%0.32218%0.179SC..  trans-89.6-47.8-168.9-177.1-176.3169.5-152.40113.1K29 E189 Y203K29-K222 PolarHBondContact NZ-O 3.16Å; E189-K222 VanDerWaalsContact CD-NZ 3.27Å; E189-K222 WeakPolarHBondContact OE1-CE 3.37Å; E189-K222 IonicContact OE1-NZ 3.72Å; E189-K222 PolarHBondContact OE1-NZ 2.67Å; E189-K222 WeakPolarHBondContact OE2-CE 3.46Å; E189-K222 IonicContact OE2-NZ 3.62Å; E189-K222 PolarHBondContact OE2-NZ 3.02Å; Y203-K222 HydrophobicContact CE2-CB 4.43Å; Y203-K222 PolarHBondContact OH-N 2.97Å
223Y94.8Very high90.4Very high10 Ų1027.8 Ų27.84%0.03916%0.159CC..SBendtrans-75.4169.1-177.6-59.3-82.1000112.1K29 S185 T197 F198 A199 P200 Y203 F275K29-Y223 PolarHBondContact NZ-O 2.56Å; S185-Y223 VanDerWaalsContact OG-CE1 3.27Å; S185-Y223 WeakPolarHBondContact OG-CE1 3.33Å; T197-Y223 WeakPolarHBondContact OG1-CD1 3.49Å; F198-Y223 WeakPolarHBondContact O-CD1 3.44Å; A199-Y223 HydrophobicContact CB-CD2 3.93Å; A199-Y223 HydrophobicContact CB-CG 4.09Å; P200-Y223 VanDerWaalsContact CD-CE2 3.49Å; P200-Y223 HydrophobicContact CG-CE2 4.25Å; Y203-Y223 AromaticContact CD1-CD2 3.47Å; Y203-Y223 HydrophobicContact CD1-CD2 3.47Å; Y203-Y223 VanDerWaalsContact CD1-CD2 3.47Å; Y203-Y223 AromaticContact CD1-CE2 3.63Å; Y203-Y223 HydrophobicContact CD1-CE2 3.63Å; Y203-Y223 HydrophobicContact CD2-CD2 4.27Å; Y203-Y223 AromaticContact CD2-CE2 3.66Å; Y203-Y223 HydrophobicContact CD2-CE2 3.66Å; Y203-Y223 AromaticContact CE1-CD2 3.53Å; Y203-Y223 HydrophobicContact CE1-CD2 3.53Å; Y203-Y223 AromaticContact CE1-CE2 3.94Å; Y203-Y223 HydrophobicContact CE1-CE2 3.94Å; Y203-Y223 HydrophobicContact CE2-CD2 4.32Å; Y203-Y223 AromaticContact CE2-CE2 3.97Å; Y203-Y223 HydrophobicContact CE2-CE2 3.97Å; Y203-Y223 AromaticContact CG-CD2 3.84Å; Y203-Y223 HydrophobicContact CG-CD2 3.84Å; Y203-Y223 AromaticContact CG-CE2 3.46Å; Y203-Y223 HydrophobicContact CG-CE2 3.46Å; Y203-Y223 VanDerWaalsContact CG-CE2 3.46Å; Y203-Y223 AromaticContact CZ-CD2 3.96Å; Y223-F275 WeakPolarHBondContact O-CD1 3.44Å; Y223-F275 WeakPolarHBondContact O-CE1 3.5Å
224D95.4Very high89.2Confident26 Ų2624.4 Ų24.414%0.13914%0.138CC..SBendtrans-92.7-32.2-174-59.5-72.3000113.1K29 L32 L196 T197 P276K29-D224 WeakPolarHBondContact CE-OD1 3.36Å; K29-D224 IonicContact NZ-OD1 2.61Å; K29-D224 PolarHBondContact NZ-OD1 3.49Å; K29-D224 IonicContact NZ-OD2 3.79Å; L32-D224 HydrophobicContact CD2-CB 3.97Å; L196-D224 HydrophobicContact CB-CB 4.29Å; L196-D224 HydrophobicContact CD2-CB 4.37Å; T197-D224 PolarHBondContact N-OD2 3.36Å; T197-D224 WeakPolarHBondContact O-CA 3.36Å; T197-D224 WeakPolarHBondContact O-CB 3.49Å; T197-D224 PolarHBondContact O-N 3.02Å; T197-D224 PolarHBondContact OG1-OD2 3.06Å; D224-P276 WeakPolarHBondContact O-CD 3.38Å
225C96.4Very high88Confident0 Ų031.9 Ų31.90%016%0.163CC..BIsolated β-bridgetrans-145.2172.8175.762.20000112.6L32 T197 F198 A199 P276 F278L32-C225 HydrophobicContact CD1-CB 4.31Å; T197-C225 PolarHBondContact O-N 3.29Å; F198-C225 WeakPolarHBondContact CA-O 3.27Å; A199-C225 PolarHBondContact N-O 2.85Å; C225-P276 WeakPolarHBondContact CA-O 3.35Å; C225-P276 HydrophobicContact CB-CB 4.25Å; C225-F278 HydrophobicContact CB-CD2 4.43Å; C225-F278 HydrophobicContact CB-CE2 4.01Å
226F96.7Very high86.7Confident1 Ų130.4 Ų30.40%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-122.1134.3175.4-68.4-94.5000110.2A199 V204 I207 I221 L228 L270 F275 P276 V277 F278A199-F226 HydrophobicContact CB-CD1 3.74Å; A199-F226 HydrophobicContact CB-CE1 3.83Å; A199-F226 HydrophobicContact CB-CG 4.46Å; V204-F226 HydrophobicContact CG2-CD1 4.17Å; I207-F226 HydrophobicContact CB-CE1 4.41Å; I207-F226 HydrophobicContact CG1-CE1 4.13Å; I207-F226 HydrophobicContact CG1-CZ 4.27Å; I207-F226 HydrophobicContact CG2-CE1 4.18Å; I207-F226 HydrophobicContact CG2-CZ 4.3Å; I221-F226 HydrophobicContact CD1-CE2 4.33Å; I221-F226 HydrophobicContact CD1-CZ 4.22Å; I221-F226 HydrophobicContact CG2-CE2 3.92Å; I221-F226 HydrophobicContact CG2-CZ 3.75Å; F226-L228 HydrophobicContact CB-CD2 4.31Å; F226-L228 HydrophobicContact CB-CG 4.2Å; F226-L270 HydrophobicContact CD2-CD1 4.05Å; F226-L270 HydrophobicContact CE2-CD1 4.19Å; F226-L270 HydrophobicContact CE2-CD2 3.94Å; F226-L270 HydrophobicContact CG-CD1 4.25Å; F226-L270 HydrophobicContact CZ-CD1 4.5Å; F226-L270 HydrophobicContact CZ-CD2 4.1Å; F226-F275 HydrophobicContact CD2-CB 4Å; F226-F275 HydrophobicContact CE2-CB 3.84Å; F226-F275 HydrophobicContact CE2-CD1 4.41Å; F226-F275 HydrophobicContact CE2-CG 4.09Å; F226-P276 PolarHBondContact N-O 3.21Å; F226-V277 HydrophobicContact CB-CG2 4.32Å; F226-V277 CarbonylContact O-C 3.54Å; F226-V277 WeakPolarHBondContact O-CA 3.25Å; F226-F278 PolarHBondContact O-N 3.01Å
227E95.8Very high84.9Confident12 Ų1236.1 Ų36.16%0.05619%0.188CC..EExtended strand (participates in β ladder)trans-115.2108.4173.2-76165.9-142.500108.6N148 F198 F278 W280N148-E227 PolarHBondContact ND2-OE1 2.92Å; N148-E227 PolarHBondContact ND2-OE2 3.42Å; N148-E227 PolarHBondContact OD1-OE1 3.24Å; F198-E227 HydrophobicContact CB-CG 4.34Å; F198-E227 WeakPolarHBondContact CB-OE1 3.33Å; F198-E227 VanDerWaalsContact CD1-OE1 3.25Å; F198-E227 WeakPolarHBondContact CD1-OE1 3.38Å; F198-E227 VanDerWaalsContact CG-OE1 3.32Å; F198-E227 WeakPolarHBondContact CG-OE1 3.14Å; E227-F278 WeakPolarHBondContact CA-O 3.29Å; E227-F278 HydrophobicContact CG-CB 4.19Å; E227-F278 HydrophobicContact CG-CD2 4.17Å; E227-W280 PolarHBondContact O-NE1 3.3Å
228L93.8Very high83.3Confident2 Ų236.7 Ų36.71%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-117.3132.3-169.2-56.3-179.6000109.7V204 F226 L261 F266 I267 V277 F278 F279 W280V204-L228 HydrophobicContact CB-CD2 4.46Å; V204-L228 HydrophobicContact CG1-CD2 3.49Å; V204-L228 VanDerWaalsContact CG1-CD2 3.49Å; V204-L228 HydrophobicContact CG2-CD2 4.07Å; F226-L228 HydrophobicContact CB-CD2 4.31Å; F226-L228 HydrophobicContact CB-CG 4.2Å; L228-L261 HydrophobicContact CB-CD2 4.28Å; L228-L261 HydrophobicContact CD1-CD2 3.83Å; L228-L261 HydrophobicContact CD2-CD2 4.12Å; L228-L261 HydrophobicContact CG-CD2 4.3Å; L228-F266 HydrophobicContact CD1-CE1 4.5Å; L228-I267 HydrophobicContact CD1-CD1 3.81Å; L228-V277 HydrophobicContact CD1-CG1 3.61Å; L228-V277 HydrophobicContact CG-CG1 4.1Å; L228-F278 PolarHBondContact N-O 3.08Å; L228-F279 HydrophobicContact CB-CD1 4.06Å; L228-F279 HydrophobicContact CB-CE1 3.89Å; L228-F279 VanDerWaalsContact O-CA 3.26Å; L228-F279 WeakPolarHBondContact O-CA 3.42Å; L228-F279 VanDerWaalsContact O-CD1 3.27Å; L228-F279 WeakPolarHBondContact O-CD1 3.36Å; L228-W280 PolarHBondContact O-N 2.95Å; L228-W280 VanDerWaalsContact O-N 3.11Å
229P90Very high81.6Confident12 Ų1234.9 Ų34.98%0.07818%0.179CC..EExtended strand (participates in β ladder)trans-70.6143.8168.829.6-32.9000110.1I234 W280P229-I234 HydrophobicContact CB-CD1 4.31Å; P229-I234 HydrophobicContact CB-CG1 3.82Å; P229-I234 HydrophobicContact CG-CD1 3.87Å; P229-I234 HydrophobicContact CG-CG1 3.81Å; P229-W280 VanDerWaalsContact CA-O 3.31Å; P229-W280 WeakPolarHBondContact CA-O 3.25Å; P229-W280 HydrophobicContact CB-CH2 4.46Å; P229-W280 HydrophobicContact CB-CZ2 4.18Å; P229-W280 HydrophobicContact CG-CZ2 4.38Å
230L84.4Confident79.8Confident2 Ų236 Ų361%0.0119%0.192CC..  trans-69.8148.4166.2-80.5175.8000110.3S232 V233 I234 F279 W280 C282 D287 A291 L294L230-S232 PolarHBondContact O-N 2.55Å; L230-V233 HydrophobicContact CB-CB 4.47Å; L230-V233 HydrophobicContact CB-CG2 4.02Å; L230-V233 WeakPolarHBondContact O-CA 3.14Å; L230-V233 WeakPolarHBondContact O-CB 3.48Å; L230-V233 PolarHBondContact O-N 2.75Å; L230-I234 WeakPolarHBondContact O-CG1 2.94Å; L230-I234 PolarHBondContact O-N 3.25Å; L230-F279 HydrophobicContact CD2-CD1 3.52Å; L230-F279 HydrophobicContact CD2-CE1 3.78Å; L230-F279 HydrophobicContact CD2-CG 4Å; L230-F279 HydrophobicContact CD2-CZ 4.44Å; L230-F279 HydrophobicContact CG-CB 4.18Å; L230-F279 HydrophobicContact CG-CD1 3.74Å; L230-F279 HydrophobicContact CG-CE1 4.44Å; L230-F279 HydrophobicContact CG-CG 4.16Å; L230-W280 PolarHBondContact N-O 2.55Å; L230-C282 HydrophobicContact CD1-CB 4.41Å; L230-C282 WeakPolarHBondContact CD1-SG 3.38Å; L230-D287 HydrophobicContact CD1-CB 3.61Å; L230-D287 WeakPolarHBondContact CD1-O 3.29Å; L230-A291 HydrophobicContact CD1-CB 4.33Å; L230-A291 HydrophobicContact CD2-CB 4.35Å; L230-L294 HydrophobicContact CD2-CD1 4.08Å
231V75.7Confident77.9Confident8 Ų840.8 Ų40.85%0.04820%0.198CC..Hα-helixtrans-57.6-36177173.60000112.7V233 I234 R235 D258 L261 S262V231-V233 VanDerWaalsContact C-N 3.32Å; V231-V233 PolarHBondContact O-N 3.13Å; V231-I234 PolarHBondContact O-N 3.15Å; V231-R235 HydrophobicContact CG1-CG 4.48Å; V231-R235 WeakPolarHBondContact O-CB 3.27Å; V231-R235 VanDerWaalsContact O-CG 3.3Å; V231-R235 WeakPolarHBondContact O-CG 3.43Å; V231-R235 PolarHBondContact O-N 3.24Å; V231-D258 HydrophobicContact CG1-CB 4Å; V231-D258 WeakPolarHBondContact CG1-OD2 3.37Å; V231-D258 HydrophobicContact CG2-CB 4.03Å; V231-L261 HydrophobicContact CG2-CB 4.29Å; V231-S262 WeakPolarHBondContact CG2-OG 3.31Å
232S74.9Confident76.1Confident41 Ų4144.9 Ų44.929%0.28721%0.212SC..Hα-helixtrans-60.2-42.4173.437.60000111.6L230 R235 S236 D287L230-S232 PolarHBondContact O-N 2.55Å; S232-R235 PolarHBondContact O-N 2.63Å; S232-S236 PolarHBondContact O-N 3.32Å; S232-S236 VanDerWaalsContact O-N 3.12Å; S232-D287 VanDerWaalsContact CB-OD1 3.27Å; S232-D287 WeakPolarHBondContact CB-OD1 3.21Å; S232-D287 PolarHBondContact OG-OD1 2.8Å
233V72.8Confident74.2Confident11 Ų1145.9 Ų45.97%0.06721%0.214CC..Hα-helixtrans-67.1-42.5176.7-179.60000111.1F116 L230 V231 R235 S236 V281F116-V233 HydrophobicContact CD1-CG1 4.18Å; F116-V233 HydrophobicContact CE1-CG1 4.49Å; L230-V233 HydrophobicContact CB-CB 4.47Å; L230-V233 HydrophobicContact CB-CG2 4.02Å; L230-V233 WeakPolarHBondContact O-CA 3.14Å; L230-V233 WeakPolarHBondContact O-CB 3.48Å; L230-V233 PolarHBondContact O-N 2.75Å; V231-V233 VanDerWaalsContact C-N 3.32Å; V231-V233 PolarHBondContact O-N 3.13Å; V233-R235 PolarHBondContact O-N 2.86Å; V233-S236 WeakPolarHBondContact O-CB 3.46Å; V233-S236 PolarHBondContact O-N 3.28Å; V233-S236 VanDerWaalsContact O-N 3.09Å; V233-S236 PolarHBondContact O-OG 3.21Å; V233-V281 VanDerWaalsContact CG2-O 3.27Å; V233-V281 WeakPolarHBondContact CG2-O 3.4Å
234I68.5Low72Confident12 Ų1255.3 Ų55.36%0.06225%0.25CC..Hα-helixtrans-60.4-35.8175.4-60.1171.2000111.3P229 L230 V231 S236 F239 L254 L261P229-I234 HydrophobicContact CB-CD1 4.31Å; P229-I234 HydrophobicContact CB-CG1 3.82Å; P229-I234 HydrophobicContact CG-CD1 3.87Å; P229-I234 HydrophobicContact CG-CG1 3.81Å; L230-I234 WeakPolarHBondContact O-CG1 2.94Å; L230-I234 PolarHBondContact O-N 3.25Å; V231-I234 PolarHBondContact O-N 3.15Å; I234-S236 VanDerWaalsContact C-N 3.33Å; I234-F239 HydrophobicContact CG2-CD1 4.03Å; I234-F239 HydrophobicContact CG2-CE1 4.3Å; I234-F239 WeakPolarHBondContact O-CB 3.43Å; I234-L254 HydrophobicContact CG2-CD1 3.76Å; I234-L261 HydrophobicContact CD1-CD1 3.96Å
235R68.1Low69.6Low169 Ų16964.7 Ų64.764%0.63828%0.283SS*.Hα-helixtrans-80.1-13.7178.5-70.2176.7-175.3-168.60.8113.4V231 S232 V233 D258V231-R235 HydrophobicContact CG1-CG 4.48Å; V231-R235 WeakPolarHBondContact O-CB 3.27Å; V231-R235 VanDerWaalsContact O-CG 3.3Å; V231-R235 WeakPolarHBondContact O-CG 3.43Å; V231-R235 PolarHBondContact O-N 3.24Å; S232-R235 PolarHBondContact O-N 2.63Å; V233-R235 PolarHBondContact O-N 2.86Å; R235-D258 IonicContact CZ-OD2 3.35Å; R235-D258 IonicContact NE-OD2 2.72Å; R235-D258 PolarHBondContact NE-OD2 2.92Å; R235-D258 IonicContact NH2-OD2 2.67Å; R235-D258 PolarHBondContact NH2-OD2 2.83Å
236S67.3Low67.4Low38 Ų3866 Ų6627%0.26629%0.29SS..SBendtrans-64.6151.2175.777.90000111.5S232 V233 I234 E238 F239 A240S232-S236 PolarHBondContact O-N 3.32Å; S232-S236 VanDerWaalsContact O-N 3.12Å; V233-S236 WeakPolarHBondContact O-CB 3.46Å; V233-S236 PolarHBondContact O-N 3.28Å; V233-S236 VanDerWaalsContact O-N 3.09Å; V233-S236 PolarHBondContact O-OG 3.21Å; I234-S236 VanDerWaalsContact C-N 3.33Å; S236-E238 PolarHBondContact O-N 3.04Å; S236-F239 PolarHBondContact O-N 3.26Å; S236-A240 PolarHBondContact O-N 3.43Å
237N55.9Low65.2Low120 Ų12075.7 Ų75.764%0.64233%0.327SS*.Hα-helixtrans-56.2-22.3-178.9-83.3-20.1000113.4A240 R241N237-A240 WeakPolarHBondContact O-CB 3.32Å; N237-R241 WeakPolarHBondContact O-CG 3.29Å; N237-R241 PolarHBondContact O-N 2.91Å
238E57.8Low63Low14 Ų1484.4 Ų84.47%0.06537%0.365CS..Hα-helixtrans-76-43-176.3-154.1-163.7178.200112.6Q115 F116 S236 A240 R241 R242Q115-E238 VanDerWaalsContact C-OE1 3.24Å; Q115-E238 WeakPolarHBondContact CA-OE1 3.13Å; Q115-E238 WeakPolarHBondContact CB-OE1 3.28Å; Q115-E238 WeakPolarHBondContact CG-OE1 3.36Å; Q115-E238 PolarHBondContact NE2-OE1 3.1Å; F116-E238 WeakPolarHBondContact CA-OE2 3.49Å; F116-E238 WeakPolarHBondContact CD1-OE2 3.44Å; F116-E238 WeakPolarHBondContact CE1-OE2 3.44Å; F116-E238 VanDerWaalsContact CG-OE2 3.28Å; F116-E238 WeakPolarHBondContact CG-OE2 3.28Å; F116-E238 PolarHBondContact N-OE2 2.7Å; S236-E238 PolarHBondContact O-N 3.04Å; E238-A240 PolarHBondContact O-N 2.8Å; E238-R241 PolarHBondContact O-N 3.31Å; E238-R241 VanDerWaalsContact O-N 3.15Å; E238-R242 PolarHBondContact O-N 2.87Å
239F56.2Low61.4Low50 Ų5087.4 Ų87.422%0.21938%0.381CS..Hα-helixtrans-64.9-36.8172.4-145.3-88.6000110.2I234 S236 R241 R242 R243 W280I234-F239 HydrophobicContact CG2-CD1 4.03Å; I234-F239 HydrophobicContact CG2-CE1 4.3Å; I234-F239 WeakPolarHBondContact O-CB 3.43Å; S236-F239 PolarHBondContact O-N 3.26Å; F239-R241 VanDerWaalsContact C-N 3.33Å; F239-R241 PolarHBondContact O-N 3.2Å; F239-R242 PolarHBondContact O-N 3.04Å; F239-R243 WeakPolarHBondContact O-CG 3.46Å; F239-R243 PolarHBondContact O-N 3.05Å; F239-W280 HydrophobicContact CE2-CH2 4.05Å
240A52.5Low60.1Low49 Ų4990.5 Ų90.541%0.40540%0.401SS..Hα-helixtrans-60.2-37.6172.400000112.9S236 N237 E238 R243S236-A240 PolarHBondContact O-N 3.43Å; N237-A240 WeakPolarHBondContact O-CB 3.32Å; E238-A240 PolarHBondContact O-N 2.8Å; A240-R243 VanDerWaalsContact O-CB 3.3Å; A240-R243 WeakPolarHBondContact O-CB 3.34Å; A240-R243 WeakPolarHBondContact O-CG 3.38Å
241R52.9Low59.3Low190 Ų19096 Ų9672%0.71743%0.43SS*.Hα-helixtrans-72.5-33.4175.4-76.5178.2-168.9173.63.8113N237 E238 F239 R243N237-R241 WeakPolarHBondContact O-CG 3.29Å; N237-R241 PolarHBondContact O-N 2.91Å; E238-R241 PolarHBondContact O-N 3.31Å; E238-R241 VanDerWaalsContact O-N 3.15Å; F239-R241 VanDerWaalsContact C-N 3.33Å; F239-R241 PolarHBondContact O-N 3.2Å; R241-R243 PolarHBondContact O-N 2.99Å
242R55.8Low58.8Low101 Ų10199.9 Ų99.938%0.38145%0.454SS..THydrogen-bonded Turntrans-78.33.3176.8-78.1-176173.7-157.6-0114H83 E238 F239 R244H83-R242 PolarHBondContact CE1-NH2 3.17Å; H83-R242 PolarHBondContact NE2-NH2 3.04Å; E238-R242 PolarHBondContact O-N 2.87Å; F239-R242 PolarHBondContact O-N 3.04Å; R242-R244 PolarHBondContact O-N 3.19Å
243R52.3Low58.7Low95 Ų9599.3 Ų99.336%0.35845%0.451SS..THydrogen-bonded Turntrans-6346.3176-73.3-153.3174.8166.73.8115.9F239 A240 R241 D246 R247 L254F239-R243 WeakPolarHBondContact O-CG 3.46Å; F239-R243 PolarHBondContact O-N 3.05Å; A240-R243 VanDerWaalsContact O-CB 3.3Å; A240-R243 WeakPolarHBondContact O-CB 3.34Å; A240-R243 WeakPolarHBondContact O-CG 3.38Å; R241-R243 PolarHBondContact O-N 2.99Å; R243-D246 WeakPolarHBondContact CA-OD1 3.36Å; R243-D246 WeakPolarHBondContact CB-OD1 3.35Å; R243-D246 WeakPolarHBondContact CD-OD1 3.18Å; R243-D246 WeakPolarHBondContact CD-OD2 3.17Å; R243-D246 VanDerWaalsContact CG-CG 3.45Å; R243-D246 WeakPolarHBondContact CG-OD1 3.47Å; R243-D246 WeakPolarHBondContact CG-OD2 3.48Å; R243-D246 IonicContact CZ-OD2 2.74Å; R243-D246 IonicContact NE-OD2 3.88Å; R243-D246 PolarHBondContact NE-OD2 3.27Å; R243-R247 WeakPolarHBondContact O-CG 3.5Å; R243-L254 VanDerWaalsContact NH2-CD2 3.3Å
244R48.5Very low58.6Low209 Ų209100.9 Ų100.979%0.78946%0.459SS*.THydrogen-bonded Turntrans-81-32.5163.1-103.9-174.3-80.4-164.7-1.3111.3R242R242-R244 PolarHBondContact O-N 3.19Å
245W44.7Very low58.8Low222 Ų222105.6 Ų105.684%0.84148%0.484SS*.SBendtrans-91.6-24.3-171.2-59.987.7000114.4
246D51.6Low59.4Low29 Ų29102.1 Ų102.116%0.15548%0.478CS..SBendtrans-104.89.8-176.971.2-26.3000113.3R243 F248 L249R243-D246 WeakPolarHBondContact CA-OD1 3.36Å; R243-D246 WeakPolarHBondContact CB-OD1 3.35Å; R243-D246 WeakPolarHBondContact CD-OD1 3.18Å; R243-D246 WeakPolarHBondContact CD-OD2 3.17Å; R243-D246 VanDerWaalsContact CG-CG 3.45Å; R243-D246 WeakPolarHBondContact CG-OD1 3.47Å; R243-D246 WeakPolarHBondContact CG-OD2 3.48Å; R243-D246 IonicContact CZ-OD2 2.74Å; R243-D246 IonicContact NE-OD2 3.88Å; R243-D246 PolarHBondContact NE-OD2 3.27Å; D246-F248 PolarHBondContact O-N 2.93Å; D246-L249 HydrophobicContact CB-CB 4.16Å; D246-L249 HydrophobicContact CB-CD1 3.75Å; D246-L249 PolarHBondContact O-N 2.81Å
247R49.3Very low60.1Low204 Ų204101 Ų10177%0.7747%0.47SS*.THydrogen-bonded Turntrans-53.4-21.7171-83.7-175.7-175.1-172.7-0.3113R243R243-R247 WeakPolarHBondContact O-CG 3.5Å
248F49.8Very low61.2Low195 Ų19595.9 Ų95.986%0.85544%0.442SS*.THydrogen-bonded Turntrans-100-5178.1-60.1-76.3000114.3D246 P250D246-F248 PolarHBondContact O-N 2.93Å; F248-P250 VanDerWaalsContact O-CD 3.32Å; F248-P250 WeakPolarHBondContact O-CD 3.36Å
249L59.6Low62.5Low65 Ų65101.8 Ų101.834%0.3447%0.468SS..SBendtrans-85.1113174.8-85.6153.9000108.5F201 D246 A253F201-L249 HydrophobicContact CE1-CD1 4Å; F201-L249 HydrophobicContact CZ-CD1 4.18Å; D246-L249 HydrophobicContact CB-CB 4.16Å; D246-L249 HydrophobicContact CB-CD1 3.75Å; D246-L249 PolarHBondContact O-N 2.81Å; L249-A253 HydrophobicContact CD2-CB 3.61Å
250P63.3Low64.1Low77 Ų7799.5 Ų99.550%0.546%0.458SS..  trans-61.1149.3177.724.7-31.9000110F248 T252 A253 L254F248-P250 VanDerWaalsContact O-CD 3.32Å; F248-P250 WeakPolarHBondContact O-CD 3.36Å; P250-T252 PolarHBondContact O-N 3.16Å; P250-A253 HydrophobicContact CG-CB 4.16Å; P250-A253 WeakPolarHBondContact O-CA 3.29Å; P250-A253 WeakPolarHBondContact O-CB 3.49Å; P250-A253 PolarHBondContact O-N 3.24Å; P250-L254 PolarHBondContact O-N 2.77Å
251N68.3Low65.8Low116 Ų11697.6 Ų97.662%0.6244%0.441SS*.Hα-helixtrans-50.7-28.7178-73.8-23.5000112.9L254 L255N251-L254 WeakPolarHBondContact O-CB 3.29Å; N251-L254 PolarHBondContact O-N 3.13Å; N251-L255 WeakPolarHBondContact O-CG 3.27Å; N251-L255 PolarHBondContact O-N 3.49Å
252T65Low67.5Low91 Ų9190.7 Ų90.756%0.55842%0.422SS*.Hα-helixtrans-62.6-39.8173.851.50000113P250 L254 L255 L256P250-T252 PolarHBondContact O-N 3.16Å; T252-L254 VanDerWaalsContact C-N 3.3Å; T252-L254 PolarHBondContact O-N 3.26Å; T252-L255 PolarHBondContact O-N 2.93Å; T252-L256 WeakPolarHBondContact O-CB 3.47Å; T252-L256 WeakPolarHBondContact O-CG 3.49Å; T252-L256 PolarHBondContact O-N 3.05Å
253A72.6Confident69.3Low28 Ų2886.7 Ų86.723%0.23141%0.41CS..Hα-helixtrans-65.7-36175.400000111.3L249 P250 S257L249-A253 HydrophobicContact CD2-CB 3.61Å; P250-A253 HydrophobicContact CG-CB 4.16Å; P250-A253 WeakPolarHBondContact O-CA 3.29Å; P250-A253 WeakPolarHBondContact O-CB 3.49Å; P250-A253 PolarHBondContact O-N 3.24Å; A253-S257 WeakPolarHBondContact O-CB 3.19Å; A253-S257 PolarHBondContact O-N 3.5Å; A253-S257 PolarHBondContact O-OG 2.93Å
254L70.6Confident71.2Confident45 Ų4584.9 Ų84.924%0.23641%0.41CS..Hα-helixtrans-67.2-43.3175-171.969.3000112.1I234 R243 P250 N251 T252 L256 S257 D258I234-L254 HydrophobicContact CG2-CD1 3.76Å; R243-L254 VanDerWaalsContact NH2-CD2 3.3Å; P250-L254 PolarHBondContact O-N 2.77Å; N251-L254 WeakPolarHBondContact O-CB 3.29Å; N251-L254 PolarHBondContact O-N 3.13Å; T252-L254 VanDerWaalsContact C-N 3.3Å; T252-L254 PolarHBondContact O-N 3.26Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-S257 VanDerWaalsContact CA-OG 3.3Å; L254-S257 WeakPolarHBondContact CA-OG 3.36Å; L254-S257 PolarHBondContact O-N 2.77Å; L254-S257 PolarHBondContact O-OG 3.25Å; L254-D258 WeakPolarHBondContact O-CB 3.18Å; L254-D258 PolarHBondContact O-N 2.74Å
255L72.8Confident73.4Confident111 Ų11177.3 Ų77.358%0.58139%0.385SS*.Hα-helixtrans-64.3-41176.2-71172.1000111.8N251 T252 S257 D258 F259N251-L255 WeakPolarHBondContact O-CG 3.27Å; N251-L255 PolarHBondContact O-N 3.49Å; T252-L255 PolarHBondContact O-N 2.93Å; L255-S257 VanDerWaalsContact C-N 3.32Å; L255-D258 PolarHBondContact O-N 2.74Å; L255-F259 WeakPolarHBondContact O-CB 3.41Å; L255-F259 PolarHBondContact O-N 3.09Å
256L80.8Confident75.8Confident96 Ų9666.8 Ų66.850%0.50335%0.345SS..Hα-helixtrans-64-39.7173.1-74.3170.6000111.2T252 L254 F259 V260T252-L256 WeakPolarHBondContact O-CB 3.47Å; T252-L256 WeakPolarHBondContact O-CG 3.49Å; T252-L256 PolarHBondContact O-N 3.05Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L256-F259 PolarHBondContact O-N 2.89Å; L256-V260 WeakPolarHBondContact O-CG2 3.27Å; L256-V260 PolarHBondContact O-N 3.47Å
257S81.4Confident77.8Confident15 Ų1565.4 Ų65.411%0.10534%0.338CS..Hα-helixtrans-64-44.3175.961.80000112A253 L254 L255 F259 V260 L261A253-S257 WeakPolarHBondContact O-CB 3.19Å; A253-S257 PolarHBondContact O-N 3.5Å; A253-S257 PolarHBondContact O-OG 2.93Å; L254-S257 VanDerWaalsContact CA-OG 3.3Å; L254-S257 WeakPolarHBondContact CA-OG 3.36Å; L254-S257 PolarHBondContact O-N 2.77Å; L254-S257 PolarHBondContact O-OG 3.25Å; L255-S257 VanDerWaalsContact C-N 3.32Å; S257-F259 VanDerWaalsContact C-N 3.31Å; S257-F259 PolarHBondContact O-N 3.26Å; S257-V260 PolarHBondContact O-N 3.21Å; S257-L261 VanDerWaalsContact O-CB 3.24Å; S257-L261 WeakPolarHBondContact O-CB 3.46Å; S257-L261 WeakPolarHBondContact O-CG 3.36Å; S257-L261 PolarHBondContact O-N 3.5Å
258D80.4Confident79.9Confident11 Ų1160.7 Ų60.76%0.05932%0.323CS..Hα-helixtrans-58.9-44.7176.1-77.96.1000111.2V231 R235 L254 L255 S262V231-D258 HydrophobicContact CG1-CB 4Å; V231-D258 WeakPolarHBondContact CG1-OD2 3.37Å; V231-D258 HydrophobicContact CG2-CB 4.03Å; R235-D258 IonicContact CZ-OD2 3.35Å; R235-D258 IonicContact NE-OD2 2.72Å; R235-D258 PolarHBondContact NE-OD2 2.92Å; R235-D258 IonicContact NH2-OD2 2.67Å; R235-D258 PolarHBondContact NH2-OD2 2.83Å; L254-D258 WeakPolarHBondContact O-CB 3.18Å; L254-D258 PolarHBondContact O-N 2.74Å; L255-D258 PolarHBondContact O-N 2.74Å; D258-S262 WeakPolarHBondContact O-CB 3.4Å; D258-S262 PolarHBondContact O-N 3.26Å; D258-S262 PolarHBondContact O-OG 2.55Å
259F84.5Confident82Confident139 Ų13951.5 Ų51.561%0.6128%0.283SS*.Hα-helixtrans-61.5-47.9178.6176.3-99.9000112.3L255 L256 S257 S263L255-F259 WeakPolarHBondContact O-CB 3.41Å; L255-F259 PolarHBondContact O-N 3.09Å; L256-F259 PolarHBondContact O-N 2.89Å; S257-F259 VanDerWaalsContact C-N 3.31Å; S257-F259 PolarHBondContact O-N 3.26Å; F259-S263 PolarHBondContact O-N 3.3Å
260V89.3Confident83.7Confident1 Ų148.4 Ų48.41%0.00627%0.266CS..Hα-helixtrans-72.4-44.1-177.71770000111.4M208 Y211 V212 L256 S257 S262 S263 F266M208-V260 HydrophobicContact CB-CB 4.42Å; M208-V260 HydrophobicContact CB-CG1 3.9Å; M208-V260 HydrophobicContact CE-CB 3.88Å; M208-V260 HydrophobicContact CE-CG1 4.19Å; M208-V260 HydrophobicContact CG-CB 4.38Å; M208-V260 HydrophobicContact CG-CG1 3.7Å; Y211-V260 HydrophobicContact CD1-CB 4.39Å; Y211-V260 HydrophobicContact CD1-CG1 3.65Å; Y211-V260 HydrophobicContact CD1-CG2 3.97Å; Y211-V260 HydrophobicContact CE1-CG1 4.19Å; Y211-V260 HydrophobicContact CE1-CG2 4.38Å; Y211-V260 HydrophobicContact CG-CG1 4.35Å; V212-V260 HydrophobicContact CG2-CG2 3.54Å; L256-V260 WeakPolarHBondContact O-CG2 3.27Å; L256-V260 PolarHBondContact O-N 3.47Å; S257-V260 PolarHBondContact O-N 3.21Å; V260-S262 PolarHBondContact O-N 2.85Å; V260-S263 VanDerWaalsContact O-CB 3.26Å; V260-S263 WeakPolarHBondContact O-CB 3.43Å; V260-S263 PolarHBondContact O-N 3.32Å; V260-F266 HydrophobicContact CG1-CB 4.37Å; V260-F266 HydrophobicContact CG1-CD1 3.72Å; V260-F266 HydrophobicContact CG1-CD2 4.07Å; V260-F266 HydrophobicContact CG1-CE1 3.96Å; V260-F266 HydrophobicContact CG1-CE2 4.27Å; V260-F266 HydrophobicContact CG1-CG 3.79Å; V260-F266 HydrophobicContact CG1-CZ 4.22Å
261L89.4Confident85.1Confident9 Ų948.6 Ų48.65%0.04726%0.257CS..Hα-helixtrans-66.3-27.2178.9-66.2176.4000112.3M208 L228 V231 I234 S257 S263 F266M208-L261 HydrophobicContact CE-CD1 4.48Å; M208-L261 HydrophobicContact CE-CD2 4.26Å; M208-L261 HydrophobicContact CE-CG 3.92Å; M208-L261 HydrophobicContact SD-CD2 4.15Å; M208-L261 HydrophobicContact SD-CG 4.43Å; L228-L261 HydrophobicContact CB-CD2 4.28Å; L228-L261 HydrophobicContact CD1-CD2 3.83Å; L228-L261 HydrophobicContact CD2-CD2 4.12Å; L228-L261 HydrophobicContact CG-CD2 4.3Å; V231-L261 HydrophobicContact CG2-CB 4.29Å; I234-L261 HydrophobicContact CD1-CD1 3.96Å; S257-L261 VanDerWaalsContact O-CB 3.24Å; S257-L261 WeakPolarHBondContact O-CB 3.46Å; S257-L261 WeakPolarHBondContact O-CG 3.36Å; S257-L261 PolarHBondContact O-N 3.5Å; L261-S263 VanDerWaalsContact C-N 3.29Å; L261-F266 HydrophobicContact CD2-CE1 4.49Å
262S88.3Confident86.2Confident45 Ų4548.2 Ų48.232%0.31525%0.25SC..THydrogen-bonded Turntrans-855.4173.3-550000113.7V231 D258 V260 P264 L294V231-S262 WeakPolarHBondContact CG2-OG 3.31Å; D258-S262 WeakPolarHBondContact O-CB 3.4Å; D258-S262 PolarHBondContact O-N 3.26Å; D258-S262 PolarHBondContact O-OG 2.55Å; V260-S262 PolarHBondContact O-N 2.85Å; S262-P264 VanDerWaalsContact O-CD 3.31Å; S262-P264 WeakPolarHBondContact O-CD 3.14Å; S262-L294 VanDerWaalsContact C-CD2 3.49Å; S262-L294 VanDerWaalsContact O-CD2 3.27Å; S262-L294 WeakPolarHBondContact O-CD2 3.48Å
263S92.2Very high87.5Confident18 Ų1843.9 Ų43.913%0.12622%0.224CC..  trans-92.3112.4-178.6-1710000111.8Y211 F259 V260 L261 L265 F266 I267Y211-S263 PolarHBondContact OH-OG 2.55Å; F259-S263 PolarHBondContact O-N 3.3Å; V260-S263 VanDerWaalsContact O-CB 3.26Å; V260-S263 WeakPolarHBondContact O-CB 3.43Å; V260-S263 PolarHBondContact O-N 3.32Å; L261-S263 VanDerWaalsContact C-N 3.29Å; S263-L265 PolarHBondContact O-N 2.72Å; S263-L265 VanDerWaalsContact O-N 3.15Å; S263-F266 PolarHBondContact O-N 3.27Å; S263-I267 PolarHBondContact O-N 2.67Å
264P93Very high88.4Confident57 Ų5743 Ų4337%0.3722%0.216SC..Hα-helixtrans-60.1-28.1174.6-19.128.7000112.5S262 K268 L294S262-P264 VanDerWaalsContact O-CD 3.31Å; S262-P264 WeakPolarHBondContact O-CD 3.14Å; P264-K268 HydrophobicContact CB-CD 4.46Å; P264-K268 WeakPolarHBondContact O-CB 3.28Å; P264-K268 WeakPolarHBondContact O-CD 3.4Å; P264-K268 WeakPolarHBondContact O-CG 3.12Å; P264-K268 PolarHBondContact O-N 2.74Å; P264-L294 HydrophobicContact CG-CD2 4.03Å
265L93.8Very high89.5Confident50 Ų5040.9 Ų40.926%0.26221%0.206SC..Hα-helixtrans-67.6-40.9179.8-176.560.8000111.6L20 R21 S263 H269L20-L265 HydrophobicContact CD2-CD1 4.39Å; L20-L265 HydrophobicContact CD2-CD2 3.51Å; L20-L265 HydrophobicContact CD2-CG 3.76Å; L20-L265 HydrophobicContact CG-CD1 4.4Å; L20-L265 HydrophobicContact CG-CD2 4.38Å; L20-L265 HydrophobicContact CG-CG 4.15Å; R21-L265 HydrophobicContact CG-CD1 4.04Å; S263-L265 PolarHBondContact O-N 2.72Å; S263-L265 VanDerWaalsContact O-N 3.15Å; L265-H269 VanDerWaalsContact O-CB 3.29Å; L265-H269 WeakPolarHBondContact O-CB 3.36Å; L265-H269 PolarHBondContact O-N 2.86Å
266F95Very high90.5Very high1 Ų136.1 Ų36.10%0.00418%0.181CC..Hα-helixtrans-62-53.2174.9173.4-117.5000111.2I207 M208 Y211 L216 L228 V260 L261 S263 K268 H269 L270I207-F266 HydrophobicContact CG2-CE2 3.81Å; I207-F266 HydrophobicContact CG2-CZ 3.91Å; M208-F266 HydrophobicContact CG-CE1 4.26Å; M208-F266 HydrophobicContact CG-CZ 3.89Å; Y211-F266 HydrophobicContact CD1-CB 4.34Å; Y211-F266 HydrophobicContact CD1-CD2 4.21Å; Y211-F266 HydrophobicContact CD1-CG 4.49Å; Y211-F266 HydrophobicContact CD2-CB 4.07Å; Y211-F266 AromaticContact CD2-CD2 3.68Å; Y211-F266 HydrophobicContact CD2-CD2 3.68Å; Y211-F266 HydrophobicContact CD2-CG 4.32Å; Y211-F266 HydrophobicContact CE1-CB 4.08Å; Y211-F266 HydrophobicContact CE2-CB 3.77Å; Y211-F266 HydrophobicContact CE2-CD2 4.27Å; Y211-F266 HydrophobicContact CG-CB 4.33Å; Y211-F266 AromaticContact CG-CD2 3.63Å; Y211-F266 HydrophobicContact CG-CD2 3.63Å; Y211-F266 HydrophobicContact CG-CE2 4.36Å; Y211-F266 HydrophobicContact CG-CG 4.29Å; L216-F266 HydrophobicContact CD2-CD2 3.78Å; L216-F266 HydrophobicContact CD2-CE2 3.73Å; L228-F266 HydrophobicContact CD1-CE1 4.5Å; V260-F266 HydrophobicContact CG1-CB 4.37Å; V260-F266 HydrophobicContact CG1-CD1 3.72Å; V260-F266 HydrophobicContact CG1-CD2 4.07Å; V260-F266 HydrophobicContact CG1-CE1 3.96Å; V260-F266 HydrophobicContact CG1-CE2 4.27Å; V260-F266 HydrophobicContact CG1-CG 3.79Å; V260-F266 HydrophobicContact CG1-CZ 4.22Å; L261-F266 HydrophobicContact CD2-CE1 4.49Å; S263-F266 PolarHBondContact O-N 3.27Å; F266-K268 PolarHBondContact O-N 3.02Å; F266-H269 WeakPolarHBondContact O-CB 2.98Å; F266-H269 PolarHBondContact O-N 3.35Å; F266-L270 HydrophobicContact CE1-CD1 4.03Å; F266-L270 HydrophobicContact CE2-CD1 4.18Å; F266-L270 HydrophobicContact CE2-CG 4.41Å; F266-L270 HydrophobicContact CZ-CD1 3.8Å; F266-L270 PolarHBondContact O-N 2.74Å; F266-L270 VanDerWaalsContact O-N 3.16Å
267I94.7Very high91.3Very high0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-63.9-45.4-178.4-54.4-57.5000111.2L228 S263 H269 L270 R271 V277 F279 L294L228-I267 HydrophobicContact CD1-CD1 3.81Å; S263-I267 PolarHBondContact O-N 2.67Å; I267-H269 VanDerWaalsContact C-N 3.27Å; I267-H269 PolarHBondContact O-N 3.33Å; I267-L270 PolarHBondContact O-N 2.82Å; I267-R271 WeakPolarHBondContact O-CG 3.2Å; I267-R271 PolarHBondContact O-N 2.89Å; I267-V277 HydrophobicContact CD1-CG1 4.27Å; I267-V277 HydrophobicContact CG2-CB 4.29Å; I267-V277 HydrophobicContact CG2-CG1 4.31Å; I267-V277 HydrophobicContact CG2-CG2 4.25Å; I267-F279 HydrophobicContact CD1-CE2 4.49Å; I267-F279 HydrophobicContact CD1-CZ 3.94Å; I267-F279 HydrophobicContact CG1-CZ 4.24Å; I267-L294 VanDerWaalsContact CB-O 3.31Å; I267-L294 WeakPolarHBondContact CB-O 3.03Å; I267-L294 HydrophobicContact CG1-CB 4.33Å; I267-L294 WeakPolarHBondContact CG2-O 2.92Å
268K93.2Very high92Very high104 Ų10431 Ų3145%0.45215%0.153SC..Hα-helixtrans-63.2-32176.1-71.5171.3-177.21760112.4P264 F266 K272P264-K268 HydrophobicContact CB-CD 4.46Å; P264-K268 WeakPolarHBondContact O-CB 3.28Å; P264-K268 WeakPolarHBondContact O-CD 3.4Å; P264-K268 WeakPolarHBondContact O-CG 3.12Å; P264-K268 PolarHBondContact O-N 2.74Å; F266-K268 PolarHBondContact O-N 3.02Å; K268-K272 WeakPolarHBondContact O-CB 3.26Å; K268-K272 VanDerWaalsContact O-CG 3.27Å; K268-K272 WeakPolarHBondContact O-CG 3.45Å; K268-K272 PolarHBondContact O-N 3Å
269H94.1Very high92.7Very high2 Ų230.5 Ų30.51%0.00915%0.15CC..Hα-helixtrans-63.6-49.3174177.281.1000111.4L20 L216 L265 F266 I267 R271 K272 R273L20-H269 WeakPolarHBondContact CA-ND1 3.26Å; L20-H269 HydrophobicContact CD1-CB 3.89Å; L20-H269 PolarHBondContact O-ND1 3.23Å; L216-H269 VanDerWaalsContact CD2-CD2 3.46Å; L216-H269 WeakPolarHBondContact CD2-CD2 3.48Å; L265-H269 VanDerWaalsContact O-CB 3.29Å; L265-H269 WeakPolarHBondContact O-CB 3.36Å; L265-H269 PolarHBondContact O-N 2.86Å; F266-H269 WeakPolarHBondContact O-CB 2.98Å; F266-H269 PolarHBondContact O-N 3.35Å; I267-H269 VanDerWaalsContact C-N 3.27Å; I267-H269 PolarHBondContact O-N 3.33Å; H269-R271 VanDerWaalsContact C-N 3.33Å; H269-R271 PolarHBondContact O-N 3.04Å; H269-K272 PolarHBondContact O-N 2.95Å; H269-R273 WeakPolarHBondContact NE2-CD 3.34Å; H269-R273 WeakPolarHBondContact O-CG 3.2Å; H269-R273 PolarHBondContact O-N 3.16Å
270L94.3Very high93.2Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-56.8-47.6176.6-63.2178.1000111.1I207 L216 I221 F226 F266 I267 K272 R273 G274 F275 V277I207-L270 HydrophobicContact CG2-CD2 4.24Å; L216-L270 HydrophobicContact CD2-CD2 4.46Å; I221-L270 HydrophobicContact CD1-CD2 3.62Å; F226-L270 HydrophobicContact CD2-CD1 4.05Å; F226-L270 HydrophobicContact CE2-CD1 4.19Å; F226-L270 HydrophobicContact CE2-CD2 3.94Å; F226-L270 HydrophobicContact CG-CD1 4.25Å; F226-L270 HydrophobicContact CZ-CD1 4.5Å; F226-L270 HydrophobicContact CZ-CD2 4.1Å; F266-L270 HydrophobicContact CE1-CD1 4.03Å; F266-L270 HydrophobicContact CE2-CD1 4.18Å; F266-L270 HydrophobicContact CE2-CG 4.41Å; F266-L270 HydrophobicContact CZ-CD1 3.8Å; F266-L270 PolarHBondContact O-N 2.74Å; F266-L270 VanDerWaalsContact O-N 3.16Å; I267-L270 PolarHBondContact O-N 2.82Å; L270-K272 PolarHBondContact O-N 2.64Å; L270-R273 CarbonylContact O-C 3.13Å; L270-R273 WeakPolarHBondContact O-CA 3.4Å; L270-R273 WeakPolarHBondContact O-CB 3.38Å; L270-R273 PolarHBondContact O-N 3.4Å; L270-R273 VanDerWaalsContact O-N 3.1Å; L270-G274 PolarHBondContact O-N 3.01Å; L270-F275 CarbonylContact C-O 3.58Å; L270-F275 HydrophobicContact CB-CB 4.47Å; L270-F275 PolarHBondContact O-N 3.21Å; L270-V277 HydrophobicContact CB-CG2 4.04Å; L270-V277 HydrophobicContact CD1-CG2 3.98Å
271R92.6Very high93.4Very high81 Ų8125.5 Ų25.531%0.30613%0.128SC..Hα-helixtrans-59-45.4176.9-68-77.1-72.5152.41.8112.8I267 H269 R273 G274 G295 S297I267-R271 WeakPolarHBondContact O-CG 3.2Å; I267-R271 PolarHBondContact O-N 2.89Å; H269-R271 VanDerWaalsContact C-N 3.33Å; H269-R271 PolarHBondContact O-N 3.04Å; R271-R273 PolarHBondContact O-N 3.35Å; R271-G274 PolarHBondContact O-N 3.31Å; R271-G295 WeakPolarHBondContact CG-O 3.27Å; R271-S297 WeakPolarHBondContact CD-OG 3.33Å; R271-S297 PolarHBondContact NE-OG 2.71Å; R271-S297 VanDerWaalsContact NE-OG 3.16Å; R271-S297 VanDerWaalsContact NH1-CB 3.28Å; R271-S297 PolarHBondContact NH1-OG 2.65Å
272K91.6Very high93.6Very high108 Ų10825 Ų2547%0.4713%0.125SC..Hα-helixtrans-65.1-26.5177.4-77.6177.6177.6179.40113R21 P23 K268 H269 L270 G274R21-K272 WeakPolarHBondContact O-CD 3.22Å; R21-K272 PolarHBondContact O-NZ 3.26Å; P23-K272 HydrophobicContact CG-CB 3.88Å; K268-K272 WeakPolarHBondContact O-CB 3.26Å; K268-K272 VanDerWaalsContact O-CG 3.27Å; K268-K272 WeakPolarHBondContact O-CG 3.45Å; K268-K272 PolarHBondContact O-N 3Å; H269-K272 PolarHBondContact O-N 2.95Å; L270-K272 PolarHBondContact O-N 2.64Å; K272-G274 VanDerWaalsContact C-N 3.25Å
273R92.3Very high93.9Very high1 Ų123.4 Ų23.40%0.00411%0.113CC..THydrogen-bonded Turntrans-80.5-3.4171.8-72.8-174.462.4-178-0.1114P23 L27 R28 K29 L216 V219 H269 L270 R271 F275P23-R273 HydrophobicContact CB-CG 3.34Å; P23-R273 HydrophobicContact CG-CG 3.56Å; L27-R273 PolarHBondContact O-NE 2.94Å; L27-R273 PolarHBondContact O-NH2 3.21Å; R28-R273 WeakPolarHBondContact CA-O 3.39Å; K29-R273 PolarHBondContact N-O 3.41Å; L216-R273 PolarHBondContact O-NH1 3.04Å; V219-R273 PolarHBondContact O-NH1 3.31Å; V219-R273 PolarHBondContact O-NH2 3.21Å; H269-R273 WeakPolarHBondContact NE2-CD 3.34Å; H269-R273 WeakPolarHBondContact O-CG 3.2Å; H269-R273 PolarHBondContact O-N 3.16Å; L270-R273 CarbonylContact O-C 3.13Å; L270-R273 WeakPolarHBondContact O-CA 3.4Å; L270-R273 WeakPolarHBondContact O-CB 3.38Å; L270-R273 PolarHBondContact O-N 3.4Å; L270-R273 VanDerWaalsContact O-N 3.1Å; R271-R273 PolarHBondContact O-N 3.35Å; R273-F275 HydrophobicContact CB-CD2 3.63Å; R273-F275 HydrophobicContact CB-CE2 3.71Å
274G91.9Very high94Very high8 Ų825.5 Ų25.58%0.08212%0.123CC..THydrogen-bonded Turntrans94.48.7176.600000114.6L270 R271 K272 P276L270-G274 PolarHBondContact O-N 3.01Å; R271-G274 PolarHBondContact O-N 3.31Å; K272-G274 VanDerWaalsContact C-N 3.25Å; G274-P276 WeakPolarHBondContact O-CD 3.32Å
275F93.9Very high94Very high2 Ų225.4 Ų25.41%0.00912%0.117CC..  trans-96.9115.3-179.6-59.1-77.3000110.8K29 I221 Y223 F226 L270 R273K29-F275 HydrophobicContact CB-CE1 3.76Å; K29-F275 HydrophobicContact CB-CE2 4.37Å; K29-F275 HydrophobicContact CB-CZ 3.58Å; K29-F275 HydrophobicContact CD-CD1 4.48Å; K29-F275 HydrophobicContact CD-CE1 3.53Å; K29-F275 HydrophobicContact CD-CZ 4.05Å; K29-F275 HydrophobicContact CG-CE1 4.28Å; K29-F275 HydrophobicContact CG-CZ 4.44Å; I221-F275 HydrophobicContact CB-CD1 4.44Å; I221-F275 HydrophobicContact CB-CD2 4.26Å; I221-F275 HydrophobicContact CB-CE1 3.83Å; I221-F275 HydrophobicContact CB-CE2 3.63Å; I221-F275 HydrophobicContact CB-CZ 3.4Å; I221-F275 VanDerWaalsContact CB-CZ 3.4Å; I221-F275 HydrophobicContact CD1-CD2 3.66Å; I221-F275 HydrophobicContact CD1-CE2 3.64Å; I221-F275 HydrophobicContact CD1-CG 4.37Å; I221-F275 HydrophobicContact CD1-CZ 4.32Å; I221-F275 HydrophobicContact CG1-CE2 4.16Å; I221-F275 HydrophobicContact CG1-CZ 4.41Å; I221-F275 HydrophobicContact CG2-CD1 3.76Å; I221-F275 HydrophobicContact CG2-CD2 4.26Å; I221-F275 HydrophobicContact CG2-CE1 3.46Å; I221-F275 VanDerWaalsContact CG2-CE1 3.46Å; I221-F275 HydrophobicContact CG2-CE2 4.01Å; I221-F275 HydrophobicContact CG2-CG 4.17Å; I221-F275 HydrophobicContact CG2-CZ 3.62Å; Y223-F275 WeakPolarHBondContact O-CD1 3.44Å; Y223-F275 WeakPolarHBondContact O-CE1 3.5Å; F226-F275 HydrophobicContact CD2-CB 4Å; F226-F275 HydrophobicContact CE2-CB 3.84Å; F226-F275 HydrophobicContact CE2-CD1 4.41Å; F226-F275 HydrophobicContact CE2-CG 4.09Å; L270-F275 CarbonylContact C-O 3.58Å; L270-F275 HydrophobicContact CB-CB 4.47Å; L270-F275 PolarHBondContact O-N 3.21Å; R273-F275 HydrophobicContact CB-CD2 3.63Å; R273-F275 HydrophobicContact CB-CE2 3.71Å
276P94.9Very high94Very high10 Ų1028.2 Ų28.27%0.06513%0.133CC..  trans-64.7148.1172-26.942000111.3L32 D224 C225 F226 G274 F278 S297L32-P276 HydrophobicContact CB-CG 4.32Å; L32-P276 HydrophobicContact CD1-CB 4.04Å; L32-P276 HydrophobicContact CD1-CG 3.63Å; L32-P276 HydrophobicContact CG-CG 3.74Å; D224-P276 WeakPolarHBondContact O-CD 3.38Å; C225-P276 WeakPolarHBondContact CA-O 3.35Å; C225-P276 HydrophobicContact CB-CB 4.25Å; F226-P276 PolarHBondContact N-O 3.21Å; G274-P276 WeakPolarHBondContact O-CD 3.32Å; P276-F278 HydrophobicContact CB-CE1 4.05Å; P276-F278 HydrophobicContact CB-CE2 4.49Å; P276-F278 HydrophobicContact CB-CZ 3.88Å; P276-S297 WeakPolarHBondContact CA-OG 3.35Å; P276-S297 WeakPolarHBondContact CB-OG 3.14Å
277V96.1Very high94Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-126119.1177.5-178.60000107.3F226 L228 I267 L270 F279 S297F226-V277 HydrophobicContact CB-CG2 4.32Å; F226-V277 CarbonylContact O-C 3.54Å; F226-V277 WeakPolarHBondContact O-CA 3.25Å; L228-V277 HydrophobicContact CD1-CG1 3.61Å; L228-V277 HydrophobicContact CG-CG1 4.1Å; I267-V277 HydrophobicContact CD1-CG1 4.27Å; I267-V277 HydrophobicContact CG2-CB 4.29Å; I267-V277 HydrophobicContact CG2-CG1 4.31Å; I267-V277 HydrophobicContact CG2-CG2 4.25Å; L270-V277 HydrophobicContact CB-CG2 4.04Å; L270-V277 HydrophobicContact CD1-CG2 3.98Å; V277-F279 HydrophobicContact CG1-CD2 4.35Å; V277-F279 HydrophobicContact CG1-CE2 3.99Å; V277-F279 HydrophobicContact CG1-CZ 4.39Å; V277-S297 PolarHBondContact N-OG 2.88Å; V277-S297 WeakPolarHBondContact O-CB 3.47Å; V277-S297 PolarHBondContact O-N 2.97Å; V277-S297 PolarHBondContact O-OG 2.81Å
278F96.6Very high94Very high3 Ų329 Ų291%0.01314%0.137CC..EExtended strand (participates in β ladder)trans-108.1129.3176.8-53.7-47.3000109L32 A36 I39 M66 C225 F226 E227 L228 P276 G298L32-F278 HydrophobicContact CD1-CE2 4.29Å; L32-F278 HydrophobicContact CD1-CZ 3.95Å; A36-F278 HydrophobicContact CB-CE1 4.39Å; A36-F278 HydrophobicContact CB-CZ 4.49Å; I39-F278 HydrophobicContact CD1-CB 3.76Å; I39-F278 HydrophobicContact CD1-CD1 3.49Å; I39-F278 VanDerWaalsContact CD1-CD1 3.49Å; I39-F278 HydrophobicContact CD1-CD2 4.15Å; I39-F278 HydrophobicContact CD1-CE1 4.05Å; I39-F278 HydrophobicContact CD1-CG 3.54Å; M66-F278 HydrophobicContact CE-CD2 4.04Å; M66-F278 HydrophobicContact CE-CE2 3.81Å; M66-F278 HydrophobicContact CE-CZ 4.18Å; C225-F278 HydrophobicContact CB-CD2 4.43Å; C225-F278 HydrophobicContact CB-CE2 4.01Å; F226-F278 PolarHBondContact O-N 3.01Å; E227-F278 WeakPolarHBondContact CA-O 3.29Å; E227-F278 HydrophobicContact CG-CB 4.19Å; E227-F278 HydrophobicContact CG-CD2 4.17Å; L228-F278 PolarHBondContact N-O 3.08Å; P276-F278 HydrophobicContact CB-CE1 4.05Å; P276-F278 HydrophobicContact CB-CE2 4.49Å; P276-F278 HydrophobicContact CB-CZ 3.88Å; F278-G298 WeakPolarHBondContact CA-O 3.46Å
279F96.2Very high94.1Very high1 Ų127.2 Ų27.20%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-99.2135.6175.8-80.2-80.6000111.4L228 L230 I267 V277 A291 L294 A296 G298 M300L228-F279 HydrophobicContact CB-CD1 4.06Å; L228-F279 HydrophobicContact CB-CE1 3.89Å; L228-F279 VanDerWaalsContact O-CA 3.26Å; L228-F279 WeakPolarHBondContact O-CA 3.42Å; L228-F279 VanDerWaalsContact O-CD1 3.27Å; L228-F279 WeakPolarHBondContact O-CD1 3.36Å; L230-F279 HydrophobicContact CD2-CD1 3.52Å; L230-F279 HydrophobicContact CD2-CE1 3.78Å; L230-F279 HydrophobicContact CD2-CG 4Å; L230-F279 HydrophobicContact CD2-CZ 4.44Å; L230-F279 HydrophobicContact CG-CB 4.18Å; L230-F279 HydrophobicContact CG-CD1 3.74Å; L230-F279 HydrophobicContact CG-CE1 4.44Å; L230-F279 HydrophobicContact CG-CG 4.16Å; I267-F279 HydrophobicContact CD1-CE2 4.49Å; I267-F279 HydrophobicContact CD1-CZ 3.94Å; I267-F279 HydrophobicContact CG1-CZ 4.24Å; V277-F279 HydrophobicContact CG1-CD2 4.35Å; V277-F279 HydrophobicContact CG1-CE2 3.99Å; V277-F279 HydrophobicContact CG1-CZ 4.39Å; F279-A291 HydrophobicContact CB-CB 3.83Å; F279-A291 HydrophobicContact CD2-CB 3.82Å; F279-A291 HydrophobicContact CG-CB 3.99Å; F279-L294 HydrophobicContact CE1-CD1 4.44Å; F279-L294 HydrophobicContact CE2-CB 4.33Å; F279-L294 HydrophobicContact CE2-CD1 4.39Å; F279-L294 HydrophobicContact CZ-CB 4.46Å; F279-L294 HydrophobicContact CZ-CD1 3.91Å; F279-A296 HydrophobicContact CD2-CB 3.72Å; F279-A296 HydrophobicContact CE2-CB 4.2Å; F279-G298 PolarHBondContact N-O 3.46Å; F279-G298 VanDerWaalsContact N-O 3.14Å; F279-M300 PolarHBondContact O-N 3.49Å
280W94.2Very high94.1Very high32 Ų3230.7 Ų30.712%0.12114%0.142CC..EExtended strand (participates in β ladder)trans-135.2159.3-179.364.3-93.2000112.4F116 M180 E227 L228 P229 L230 F239 M300F116-W280 HydrophobicContact CE1-CE3 4.38Å; F116-W280 AromaticContact CE1-CZ3 3.89Å; F116-W280 HydrophobicContact CE1-CZ3 3.89Å; F116-W280 HydrophobicContact CZ-CE3 4.23Å; F116-W280 AromaticContact CZ-CZ3 3.78Å; F116-W280 HydrophobicContact CZ-CZ3 3.78Å; M180-W280 HydrophobicContact CE-CZ2 4.44Å; E227-W280 PolarHBondContact O-NE1 3.3Å; L228-W280 PolarHBondContact O-N 2.95Å; L228-W280 VanDerWaalsContact O-N 3.11Å; P229-W280 VanDerWaalsContact CA-O 3.31Å; P229-W280 WeakPolarHBondContact CA-O 3.25Å; P229-W280 HydrophobicContact CB-CH2 4.46Å; P229-W280 HydrophobicContact CB-CZ2 4.18Å; P229-W280 HydrophobicContact CG-CZ2 4.38Å; L230-W280 PolarHBondContact N-O 2.55Å; F239-W280 HydrophobicContact CE2-CH2 4.05Å; W280-M300 HydrophobicContact CB-CB 3.85Å; W280-M300 HydrophobicContact CB-CE 4.46Å; W280-M300 HydrophobicContact CB-CG 4.13Å; W280-M300 HydrophobicContact CB-SD 3.65Å; W280-M300 HydrophobicContact CG-SD 4.43Å
281V92.8Very high94.1Very high3 Ų330.7 Ų30.72%0.01814%0.142CC..  cis-91.4119.7-31.9-169.10000107.1H41 F116 V233 N283 M300 D302H41-V281 HydrophobicContact CB-CG1 4.18Å; F116-V281 HydrophobicContact CB-CB 4.05Å; F116-V281 HydrophobicContact CB-CG2 4.4Å; F116-V281 HydrophobicContact CD1-CB 4.43Å; F116-V281 HydrophobicContact CD1-CG2 4.18Å; F116-V281 HydrophobicContact CD2-CB 3.95Å; F116-V281 HydrophobicContact CD2-CG2 3.35Å; F116-V281 HydrophobicContact CE1-CG2 4.32Å; F116-V281 HydrophobicContact CE2-CG2 3.52Å; F116-V281 HydrophobicContact CG-CB 3.89Å; F116-V281 HydrophobicContact CG-CG2 3.71Å; F116-V281 HydrophobicContact CZ-CG2 4.01Å; V233-V281 VanDerWaalsContact CG2-O 3.27Å; V233-V281 WeakPolarHBondContact CG2-O 3.4Å; V281-N283 WeakPolarHBondContact CG1-OD1 3.49Å; V281-M300 CarbonylContact C-O 3.59Å; V281-M300 WeakPolarHBondContact CA-O 3.22Å; V281-D302 HydrophobicContact CG1-CB 4.5Å
282C94.4Very high94.3Very high0 Ų027.4 Ų27.40%013%0.13CC..  trans-98.5101.6-175.2-48.30000109.8L230 D287 M288 V299 M300 T301L230-C282 HydrophobicContact CD1-CB 4.41Å; L230-C282 WeakPolarHBondContact CD1-SG 3.38Å; C282-D287 HydrophobicContact CB-CB 3.91Å; C282-M288 HydrophobicContact CB-CG 4.18Å; C282-M288 VanDerWaalsContact O-CE 3.31Å; C282-M288 WeakPolarHBondContact O-CE 3.38Å; C282-V299 HydrophobicContact CB-CG1 3.5Å; C282-M300 PolarHBondContact N-O 3.15Å; C282-T301 VanDerWaalsContact O-CB 3.27Å; C282-T301 WeakPolarHBondContact O-CB 3.24Å; C282-T301 PolarHBondContact O-OG1 3.36Å
283N94.6Very high94.4Very high11 Ų1127.8 Ų27.86%0.05913%0.134CC..  trans-103.7-5.6-173-71.1-16000114.6T117 V281 T301 D302 Y303 K306T117-N283 PolarHBondContact OG1-ND2 3.38Å; V281-N283 WeakPolarHBondContact CG1-OD1 3.49Å; N283-T301 PolarHBondContact OD1-OG1 3.3Å; N283-D302 PolarHBondContact ND2-OD2 3.26Å; N283-D302 WeakPolarHBondContact OD1-CB 3.3Å; N283-D302 PolarHBondContact OD1-N 3.24Å; N283-Y303 HydrophobicContact CB-CD2 3.72Å; N283-Y303 HydrophobicContact CB-CE2 3.77Å; N283-K306 WeakPolarHBondContact O-CE 3.47Å; N283-K306 PolarHBondContact O-NZ 2.89Å
284N93.3Very high94.5Very high61 Ų6128.2 Ų28.233%0.32614%0.136SC..SBendtrans-123.8157.3175.763.571.5000111.5D286 D287 M288N284-D286 PolarHBondContact O-N 3.14Å; N284-D286 PolarHBondContact OD1-N 3.07Å; N284-D287 PolarHBondContact ND2-OD2 3.1Å; N284-D287 PolarHBondContact O-N 3.32Å; N284-D287 WeakPolarHBondContact OD1-CB 3.37Å; N284-D287 PolarHBondContact OD1-N 3.23Å; N284-D287 PolarHBondContact OD1-OD2 2.99Å; N284-M288 VanDerWaalsContact O-CG 3.29Å; N284-M288 WeakPolarHBondContact O-CG 3.44Å; N284-M288 PolarHBondContact O-N 3.21Å; N284-M288 VanDerWaalsContact O-N 3.09Å
285E94.6Very high94.6Very high55 Ų5528.6 Ų28.626%0.25714%0.14SC..Hα-helixtrans-63.8-29-176-68.8-167.6166.600112.2M288 R289 F310 K313E285-M288 PolarHBondContact O-N 3.17Å; E285-R289 VanDerWaalsContact O-CB 3.29Å; E285-R289 WeakPolarHBondContact O-CB 3.26Å; E285-R289 PolarHBondContact O-N 3.17Å; E285-F310 HydrophobicContact CB-CD2 3.93Å; E285-F310 HydrophobicContact CB-CE2 4.3Å; E285-F310 HydrophobicContact CG-CD2 3.94Å; E285-F310 WeakPolarHBondContact O-CE2 3.42Å; E285-K313 IonicContact OE1-NZ 3.9Å; E285-K313 PolarHBondContact OE1-NZ 3.25Å
286D93.7Very high94.7Very high109 Ų10928.8 Ų28.858%0.58314%0.142SC*.Hα-helixtrans-68.3-43178.4-67-25000111.9N284 R289 K290N284-D286 PolarHBondContact O-N 3.14Å; N284-D286 PolarHBondContact OD1-N 3.07Å; D286-R289 PolarHBondContact O-N 2.85Å; D286-R289 IonicContact OD1-CZ 2.81Å; D286-R289 IonicContact OD1-NH1 3.44Å; D286-R289 PolarHBondContact OD1-NH1 3.27Å; D286-R289 IonicContact OD1-NH2 3.89Å; D286-K290 VanDerWaalsContact O-CB 3.23Å; D286-K290 WeakPolarHBondContact O-CB 3.31Å; D286-K290 PolarHBondContact O-N 3.23Å
287D93.5Very high94.7Very high19 Ų1928.7 Ų28.710%0.10214%0.142CC..Hα-helixtrans-64.8-44173.7-76.9-25.8000111.4L230 S232 C282 N284 R289 K290 A291L230-D287 HydrophobicContact CD1-CB 3.61Å; L230-D287 WeakPolarHBondContact CD1-O 3.29Å; S232-D287 VanDerWaalsContact CB-OD1 3.27Å; S232-D287 WeakPolarHBondContact CB-OD1 3.21Å; S232-D287 PolarHBondContact OG-OD1 2.8Å; C282-D287 HydrophobicContact CB-CB 3.91Å; N284-D287 PolarHBondContact ND2-OD2 3.1Å; N284-D287 PolarHBondContact O-N 3.32Å; N284-D287 WeakPolarHBondContact OD1-CB 3.37Å; N284-D287 PolarHBondContact OD1-N 3.23Å; N284-D287 PolarHBondContact OD1-OD2 2.99Å; D287-R289 PolarHBondContact O-N 2.83Å; D287-K290 PolarHBondContact O-N 3.17Å; D287-A291 WeakPolarHBondContact O-CB 3.32Å; D287-A291 PolarHBondContact O-N 2.94Å
288M95.4Very high94.7Very high0 Ų028.7 Ų28.70%014%0.142CC..Hα-helixtrans-58-50.2175.6-65.4169.8-178.300111C282 N284 E285 A291 F292 V299 K306 L307 F310C282-M288 HydrophobicContact CB-CG 4.18Å; C282-M288 VanDerWaalsContact O-CE 3.31Å; C282-M288 WeakPolarHBondContact O-CE 3.38Å; N284-M288 VanDerWaalsContact O-CG 3.29Å; N284-M288 WeakPolarHBondContact O-CG 3.44Å; N284-M288 PolarHBondContact O-N 3.21Å; N284-M288 VanDerWaalsContact O-N 3.09Å; E285-M288 PolarHBondContact O-N 3.17Å; M288-A291 PolarHBondContact O-N 2.87Å; M288-F292 WeakPolarHBondContact O-CD2 3.43Å; M288-F292 PolarHBondContact O-N 3.4Å; M288-F292 VanDerWaalsContact O-N 3.17Å; M288-V299 HydrophobicContact CG-CG1 4.17Å; M288-K306 HydrophobicContact CE-CB 4.43Å; M288-K306 HydrophobicContact CE-CD 4.33Å; M288-K306 HydrophobicContact CE-CG 4.17Å; M288-L307 HydrophobicContact CB-CD1 4.47Å; M288-L307 HydrophobicContact CE-CB 3.97Å; M288-L307 HydrophobicContact CE-CD1 4.34Å; M288-L307 HydrophobicContact CG-CD1 4.03Å; M288-L307 HydrophobicContact SD-CB 4.34Å; M288-L307 HydrophobicContact SD-CD1 3.82Å; M288-F310 HydrophobicContact CB-CD1 3.92Å; M288-F310 HydrophobicContact CB-CD2 4.16Å; M288-F310 HydrophobicContact CB-CE1 3.88Å; M288-F310 HydrophobicContact CB-CE2 4.09Å; M288-F310 HydrophobicContact CB-CG 4.07Å; M288-F310 HydrophobicContact CB-CZ 3.96Å; M288-F310 HydrophobicContact SD-CB 3.86Å; M288-F310 HydrophobicContact SD-CD1 4.37Å; M288-F310 HydrophobicContact SD-CD2 4.37Å; M288-F310 HydrophobicContact SD-CG 3.93Å
289R95.4Very high94.7Very high66 Ų6628.6 Ų28.625%0.24914%0.141CC..Hα-helixtrans-58.3-50.5176.9-169.6-176-54.5104.36.5111.6E285 D286 D287 A291 F292 E293 F310 Y317E285-R289 VanDerWaalsContact O-CB 3.29Å; E285-R289 WeakPolarHBondContact O-CB 3.26Å; E285-R289 PolarHBondContact O-N 3.17Å; D286-R289 PolarHBondContact O-N 2.85Å; D286-R289 IonicContact OD1-CZ 2.81Å; D286-R289 IonicContact OD1-NH1 3.44Å; D286-R289 PolarHBondContact OD1-NH1 3.27Å; D286-R289 IonicContact OD1-NH2 3.89Å; D287-R289 PolarHBondContact O-N 2.83Å; R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 3.28Å; R289-F292 PolarHBondContact O-N 3.43Å; R289-E293 HydrophobicContact CG-CG 4.38Å; R289-E293 WeakPolarHBondContact O-CG 3.39Å; R289-E293 PolarHBondContact O-N 3.39Å; R289-F310 HydrophobicContact CB-CE2 3.99Å; R289-F310 HydrophobicContact CB-CZ 3.85Å; R289-Y317 WeakPolarHBondContact CG-OH 3.48Å
290K94Very high94.8Very high74 Ų7428.7 Ų28.732%0.32214%0.142SC..Hα-helixtrans-58.9-43.2179.9-176174.4-179.9178.30111.9D286 D287 F292 E293 L294D286-K290 VanDerWaalsContact O-CB 3.23Å; D286-K290 WeakPolarHBondContact O-CB 3.31Å; D286-K290 PolarHBondContact O-N 3.23Å; D287-K290 PolarHBondContact O-N 3.17Å; K290-F292 PolarHBondContact O-N 2.88Å; K290-E293 PolarHBondContact O-N 3.38Å; K290-L294 HydrophobicContact CG-CD1 4.27Å; K290-L294 VanDerWaalsContact O-CG 3.24Å; K290-L294 WeakPolarHBondContact O-CG 3.34Å; K290-L294 PolarHBondContact O-N 3.07Å
291A95.2Very high95Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-58-49.4176.100000111.6L230 F279 D287 M288 R289 L294 G295 A296 V299L230-A291 HydrophobicContact CD1-CB 4.33Å; L230-A291 HydrophobicContact CD2-CB 4.35Å; F279-A291 HydrophobicContact CB-CB 3.83Å; F279-A291 HydrophobicContact CD2-CB 3.82Å; F279-A291 HydrophobicContact CG-CB 3.99Å; D287-A291 WeakPolarHBondContact O-CB 3.32Å; D287-A291 PolarHBondContact O-N 2.94Å; M288-A291 PolarHBondContact O-N 2.87Å; R289-A291 VanDerWaalsContact C-N 3.33Å; R289-A291 PolarHBondContact O-N 3.28Å; A291-L294 PolarHBondContact O-N 2.9Å; A291-G295 PolarHBondContact O-N 3.24Å; A291-A296 HydrophobicContact CB-CB 4.2Å; A291-A296 WeakPolarHBondContact O-CB 3.47Å; A291-A296 PolarHBondContact O-N 3.06Å; A291-V299 HydrophobicContact CB-CG2 3.58Å
292F95.5Very high95.2Very high12 Ų1227 Ų275%0.05314%0.135CC..Hα-helixtrans-68.4-37.3179.6-70.9-65.2000113.3M288 R289 K290 L294 G295 A296 V299 L307 F310 L311 Y317M288-F292 WeakPolarHBondContact O-CD2 3.43Å; M288-F292 PolarHBondContact O-N 3.4Å; M288-F292 VanDerWaalsContact O-N 3.17Å; R289-F292 PolarHBondContact O-N 3.43Å; K290-F292 PolarHBondContact O-N 2.88Å; F292-L294 VanDerWaalsContact C-N 3.31Å; F292-L294 PolarHBondContact O-N 2.71Å; F292-G295 WeakPolarHBondContact O-CA 3.47Å; F292-G295 PolarHBondContact O-N 3.44Å; F292-A296 HydrophobicContact CD1-CB 4.18Å; F292-V299 HydrophobicContact CD2-CG2 4.13Å; F292-V299 HydrophobicContact CE1-CG2 4.3Å; F292-V299 HydrophobicContact CE2-CB 4.21Å; F292-V299 HydrophobicContact CE2-CG2 3.64Å; F292-V299 HydrophobicContact CZ-CB 4.11Å; F292-V299 HydrophobicContact CZ-CG2 3.73Å; F292-L307 HydrophobicContact CE2-CD1 4.27Å; F292-F310 AromaticContact CD2-CE1 3.71Å; F292-F310 HydrophobicContact CD2-CE1 3.71Å; F292-F310 HydrophobicContact CD2-CZ 4.47Å; F292-F310 HydrophobicContact CE2-CD1 4.34Å; F292-F310 AromaticContact CE2-CE1 3.88Å; F292-F310 HydrophobicContact CE2-CE1 3.88Å; F292-L311 HydrophobicContact CE2-CD2 3.86Å; F292-L311 HydrophobicContact CZ-CD2 3.77Å; F292-Y317 HydrophobicContact CB-CD1 3.42Å; F292-Y317 VanDerWaalsContact CB-CD1 3.42Å; F292-Y317 HydrophobicContact CB-CD2 4.04Å; F292-Y317 HydrophobicContact CB-CE1 3.45Å; F292-Y317 VanDerWaalsContact CB-CE1 3.45Å; F292-Y317 HydrophobicContact CB-CE2 4.08Å; F292-Y317 HydrophobicContact CB-CG 3.73Å; F292-Y317 HydrophobicContact CD1-CD1 4.49Å; F292-Y317 HydrophobicContact CD1-CG 4.29Å; F292-Y317 AromaticContact CD2-CD2 3.89Å; F292-Y317 HydrophobicContact CD2-CD2 3.89Å; F292-Y317 HydrophobicContact CD2-CE2 4.3Å; F292-Y317 HydrophobicContact CD2-CG 4.09Å; F292-Y317 AromaticContact CG-CD1 3.99Å; F292-Y317 HydrophobicContact CG-CD1 3.99Å; F292-Y317 HydrophobicContact CG-CD2 4.05Å; F292-Y317 HydrophobicContact CG-CE1 4.41Å; F292-Y317 HydrophobicContact CG-CE2 4.48Å; F292-Y317 AromaticContact CG-CG 3.79Å; F292-Y317 HydrophobicContact CG-CG 3.79Å
293E94.1Very high95.3Very high116 Ų11629 Ų2954%0.54214%0.143SC..Hα-helixtrans-61.2-37.3173.8-75.2177.4173.600112.9R289 K290 G295R289-E293 HydrophobicContact CG-CG 4.38Å; R289-E293 WeakPolarHBondContact O-CG 3.39Å; R289-E293 PolarHBondContact O-N 3.39Å; K290-E293 PolarHBondContact O-N 3.38Å; E293-G295 PolarHBondContact O-N 3.13Å
294L94Very high95.5Very high11 Ų1128.6 Ų28.66%0.05814%0.141CC..Hα-helixtrans-64.5-26.4172.3-71.1170.5000111.8L230 S262 P264 I267 F279 K290 A291 F292L230-L294 HydrophobicContact CD2-CD1 4.08Å; S262-L294 VanDerWaalsContact C-CD2 3.49Å; S262-L294 VanDerWaalsContact O-CD2 3.27Å; S262-L294 WeakPolarHBondContact O-CD2 3.48Å; P264-L294 HydrophobicContact CG-CD2 4.03Å; I267-L294 VanDerWaalsContact CB-O 3.31Å; I267-L294 WeakPolarHBondContact CB-O 3.03Å; I267-L294 HydrophobicContact CG1-CB 4.33Å; I267-L294 WeakPolarHBondContact CG2-O 2.92Å; F279-L294 HydrophobicContact CE1-CD1 4.44Å; F279-L294 HydrophobicContact CE2-CB 4.33Å; F279-L294 HydrophobicContact CE2-CD1 4.39Å; F279-L294 HydrophobicContact CZ-CB 4.46Å; F279-L294 HydrophobicContact CZ-CD1 3.91Å; K290-L294 HydrophobicContact CG-CD1 4.27Å; K290-L294 VanDerWaalsContact O-CG 3.24Å; K290-L294 WeakPolarHBondContact O-CG 3.34Å; K290-L294 PolarHBondContact O-N 3.07Å; A291-L294 PolarHBondContact O-N 2.9Å; F292-L294 VanDerWaalsContact C-N 3.31Å; F292-L294 PolarHBondContact O-N 2.71Å
295G93.9Very high95.7Very high16 Ų1631 Ų3117%0.16515%0.145CC..THydrogen-bonded Turntrans111.527178.200000114.1R271 A291 F292 E293R271-G295 WeakPolarHBondContact CG-O 3.27Å; A291-G295 PolarHBondContact O-N 3.24Å; F292-G295 WeakPolarHBondContact O-CA 3.47Å; F292-G295 PolarHBondContact O-N 3.44Å; E293-G295 PolarHBondContact O-N 3.13Å
296A95.4Very high95.8Very high5 Ų531.8 Ų31.84%0.04115%0.148CC..  trans-49.4146.5174.600000112.4F279 A291 F292F279-A296 HydrophobicContact CD2-CB 3.72Å; F279-A296 HydrophobicContact CE2-CB 4.2Å; A291-A296 HydrophobicContact CB-CB 4.2Å; A291-A296 WeakPolarHBondContact O-CB 3.47Å; A291-A296 PolarHBondContact O-N 3.06Å; F292-A296 HydrophobicContact CD1-CB 4.18Å
297S95.4Very high96Very high9 Ų926.6 Ų26.66%0.06312%0.12CC..SBendtrans-84.4-26.6166.5-45.70000111.6P37 R271 P276 V277P37-S297 WeakPolarHBondContact CA-O 3.35Å; R271-S297 WeakPolarHBondContact CD-OG 3.33Å; R271-S297 PolarHBondContact NE-OG 2.71Å; R271-S297 VanDerWaalsContact NE-OG 3.16Å; R271-S297 VanDerWaalsContact NH1-CB 3.28Å; R271-S297 PolarHBondContact NH1-OG 2.65Å; P276-S297 WeakPolarHBondContact CA-OG 3.35Å; P276-S297 WeakPolarHBondContact CB-OG 3.14Å; V277-S297 PolarHBondContact N-OG 2.88Å; V277-S297 WeakPolarHBondContact O-CB 3.47Å; V277-S297 PolarHBondContact O-N 2.97Å; V277-S297 PolarHBondContact O-OG 2.81Å
298G96.9Very high96.2Very high0 Ų026.7 Ų26.70%012%0.121CC..EExtended strand (participates in β ladder)trans-170.1165.4177.200000112.4A36 P37 F278 F279A36-G298 WeakPolarHBondContact O-CA 3.42Å; P37-G298 VanDerWaalsContact O-CA 3.28Å; P37-G298 WeakPolarHBondContact O-CA 3.38Å; F278-G298 WeakPolarHBondContact CA-O 3.46Å; F279-G298 PolarHBondContact N-O 3.46Å; F279-G298 VanDerWaalsContact N-O 3.14Å
299V97.3Very high96.3Very high0 Ų031.1 Ų31.10%014%0.142CC..EExtended strand (participates in β ladder)trans-121.7131.7-178.7165.30000108.3P37 I39 C282 M288 A291 F292 L307P37-V299 PolarHBondContact O-N 3.05Å; I39-V299 WeakPolarHBondContact CB-O 3.5Å; I39-V299 PolarHBondContact N-O 2.85Å; C282-V299 HydrophobicContact CB-CG1 3.5Å; M288-V299 HydrophobicContact CG-CG1 4.17Å; A291-V299 HydrophobicContact CB-CG2 3.58Å; F292-V299 HydrophobicContact CD2-CG2 4.13Å; F292-V299 HydrophobicContact CE1-CG2 4.3Å; F292-V299 HydrophobicContact CE2-CB 4.21Å; F292-V299 HydrophobicContact CE2-CG2 3.64Å; F292-V299 HydrophobicContact CZ-CB 4.11Å; F292-V299 HydrophobicContact CZ-CG2 3.73Å; V299-L307 HydrophobicContact CB-CD1 4.27Å; V299-L307 HydrophobicContact CB-CD2 3.98Å; V299-L307 HydrophobicContact CG1-CD1 4.17Å; V299-L307 HydrophobicContact CG1-CD2 3.89Å; V299-L307 WeakPolarHBondContact O-CD2 3.22Å
300M97.7Very high96.4Very high3 Ų328 Ų282%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-99.1127.3174.4-178.3-174.5-59.400109.3I39 H41 E68 F279 W280 V281 C282I39-M300 HydrophobicContact CB-CB 4.01Å; I39-M300 HydrophobicContact CB-CG 4.36Å; I39-M300 HydrophobicContact CG2-CB 4.14Å; I39-M300 HydrophobicContact CG2-CE 4.01Å; I39-M300 HydrophobicContact CG2-CG 4.03Å; I39-M300 WeakPolarHBondContact O-CA 3.21Å; H41-M300 HydrophobicContact CB-CG 3.72Å; H41-M300 HydrophobicContact CB-SD 4.24Å; E68-M300 HydrophobicContact CB-CE 3.78Å; E68-M300 HydrophobicContact CB-SD 4.08Å; E68-M300 HydrophobicContact CG-CE 3.64Å; E68-M300 HydrophobicContact CG-SD 3.89Å; F279-M300 PolarHBondContact O-N 3.49Å; W280-M300 HydrophobicContact CB-CB 3.85Å; W280-M300 HydrophobicContact CB-CE 4.46Å; W280-M300 HydrophobicContact CB-CG 4.13Å; W280-M300 HydrophobicContact CB-SD 3.65Å; W280-M300 HydrophobicContact CG-SD 4.43Å; V281-M300 CarbonylContact C-O 3.59Å; V281-M300 WeakPolarHBondContact CA-O 3.22Å; C282-M300 PolarHBondContact N-O 3.15Å
301T97.6Very high96.5Very high0 Ų025 Ų250%012%0.118CC..EExtended strand (participates in β ladder)trans-139150.3-172.8-167.80000112.2I39 H41 C282 N283 Y303 L307I39-T301 PolarHBondContact O-N 3.11Å; H41-T301 WeakPolarHBondContact CB-O 3.39Å; H41-T301 PolarHBondContact N-O 2.85Å; C282-T301 VanDerWaalsContact O-CB 3.27Å; C282-T301 WeakPolarHBondContact O-CB 3.24Å; C282-T301 PolarHBondContact O-OG1 3.36Å; N283-T301 PolarHBondContact OD1-OG1 3.3Å; T301-Y303 VanDerWaalsContact C-N 3.26Å; T301-Y303 PolarHBondContact OG1-N 3.13Å; T301-Y303 VanDerWaalsContact OG1-N 3.13Å; T301-L307 HydrophobicContact CG2-CB 3.78Å; T301-L307 HydrophobicContact CG2-CD2 3.86Å; T301-L307 HydrophobicContact CG2-CG 4.49Å
302D97.2Very high96.5Very high1 Ų131.5 Ų31.51%0.00515%0.146CC..SBendtrans-75.8-15.7165.8-68.8-49.2000112.2H41 G44 S45 G46 V114 V281 N283 P304H41-D302 IonicContact CE1-OD1 3.85Å; H41-D302 IonicContact CG-OD1 3.45Å; H41-D302 IonicContact ND1-OD1 2.96Å; H41-D302 PolarHBondContact ND1-OD1 3.28Å; G44-D302 CarbonylContact C-O 3.45Å; G44-D302 WeakPolarHBondContact CA-O 3.34Å; S45-D302 PolarHBondContact N-O 3.41Å; S45-D302 PolarHBondContact OG-OD1 2.85Å; G46-D302 VanDerWaalsContact CA-O 3.26Å; G46-D302 WeakPolarHBondContact CA-O 3.32Å; G46-D302 PolarHBondContact N-O 2.91Å; V114-D302 HydrophobicContact CG1-CB 3.99Å; V281-D302 HydrophobicContact CG1-CB 4.5Å; N283-D302 PolarHBondContact ND2-OD2 3.26Å; N283-D302 WeakPolarHBondContact OD1-CB 3.3Å; N283-D302 PolarHBondContact OD1-N 3.24Å; D302-P304 VanDerWaalsContact O-CD 3.29Å; D302-P304 WeakPolarHBondContact O-CD 3.35Å
303Y97.6Very high96.6Very high41 Ų4136.9 Ų36.916%0.16117%0.169CC..  trans-120.775.9-173.6-58.8-83.4000112.4G46 E47 S120 N283 T301 R305 K306 L307G46-Y303 WeakPolarHBondContact O-CE1 3.25Å; E47-Y303 HydrophobicContact CG-CD1 4.13Å; E47-Y303 WeakPolarHBondContact OE1-CA 3.31Å; S120-Y303 WeakPolarHBondContact CB-OH 3.14Å; N283-Y303 HydrophobicContact CB-CD2 3.72Å; N283-Y303 HydrophobicContact CB-CE2 3.77Å; T301-Y303 VanDerWaalsContact C-N 3.26Å; T301-Y303 PolarHBondContact OG1-N 3.13Å; T301-Y303 VanDerWaalsContact OG1-N 3.13Å; Y303-R305 VanDerWaalsContact C-N 3.33Å; Y303-R305 PolarHBondContact O-N 3.41Å; Y303-K306 WeakPolarHBondContact O-CB 3.45Å; Y303-K306 PolarHBondContact O-N 3.48Å; Y303-K306 VanDerWaalsContact O-N 3.11Å; Y303-L307 PolarHBondContact O-N 3.33Å; Y303-L307 VanDerWaalsContact O-N 3.15Å
304P97.8Very high96.6Very high2 Ų233.1 Ų33.11%0.01315%0.152CC..Hα-helixtrans-55.2-40.5-175-2836.7000114.4H38 S40 E47 V62 D302 K306 L307 T308H38-P304 PolarHBondContact CE1-O 3.46Å; H38-P304 VanDerWaalsContact NE2-CA 3.32Å; H38-P304 WeakPolarHBondContact NE2-CA 3.2Å; H38-P304 WeakPolarHBondContact NE2-CB 3.26Å; H38-P304 PolarHBondContact NE2-O 3.41Å; S40-P304 VanDerWaalsContact OG-CG 3.27Å; S40-P304 WeakPolarHBondContact OG-CG 3.41Å; E47-P304 WeakPolarHBondContact OE1-CD 3.37Å; E47-P304 VanDerWaalsContact OE1-N 3.15Å; V62-P304 HydrophobicContact CG2-CB 3.64Å; D302-P304 VanDerWaalsContact O-CD 3.29Å; D302-P304 WeakPolarHBondContact O-CD 3.35Å; P304-K306 VanDerWaalsContact C-N 3.3Å; P304-K306 PolarHBondContact O-N 2.67Å; P304-L307 PolarHBondContact O-N 3Å; P304-T308 PolarHBondContact O-N 2.86Å; P304-T308 PolarHBondContact O-OG1 2.89Å
305R97.4Very high96.5Very high112 Ų11237.2 Ų37.242%0.42318%0.179SC..Hα-helixtrans-63.6-40.4179.6-173.5-179.6-64.192.57.7111E47 V62 Y303 T308 E309E47-R305 VanDerWaalsContact OE1-CB 3.27Å; E47-R305 WeakPolarHBondContact OE1-CB 3.45Å; E47-R305 PolarHBondContact OE1-N 3.48Å; E47-R305 IonicContact OE1-NH1 3.6Å; E47-R305 IonicContact OE2-CZ 3.76Å; E47-R305 IonicContact OE2-NH1 3.13Å; E47-R305 PolarHBondContact OE2-NH1 3.28Å; E47-R305 IonicContact OE2-NH2 2.75Å; V62-R305 HydrophobicContact CG1-CB 4.38Å; Y303-R305 VanDerWaalsContact C-N 3.33Å; Y303-R305 PolarHBondContact O-N 3.41Å; R305-T308 WeakPolarHBondContact O-CB 3.47Å; R305-T308 PolarHBondContact O-N 3.48Å; R305-E309 WeakPolarHBondContact O-CG 3.27Å; R305-E309 PolarHBondContact O-N 3.01Å
306K97.3Very high96.4Very high72 Ų7242.1 Ų42.131%0.31320%0.198SC..Hα-helixtrans-63.1-42176.8-171.2177.2-175.6174.30111.5N283 M288 Y303 P304 T308 E309 F310N283-K306 WeakPolarHBondContact O-CE 3.47Å; N283-K306 PolarHBondContact O-NZ 2.89Å; M288-K306 HydrophobicContact CE-CB 4.43Å; M288-K306 HydrophobicContact CE-CD 4.33Å; M288-K306 HydrophobicContact CE-CG 4.17Å; Y303-K306 WeakPolarHBondContact O-CB 3.45Å; Y303-K306 PolarHBondContact O-N 3.48Å; Y303-K306 VanDerWaalsContact O-N 3.11Å; P304-K306 VanDerWaalsContact C-N 3.3Å; P304-K306 PolarHBondContact O-N 2.67Å; K306-T308 VanDerWaalsContact C-N 3.34Å; K306-E309 PolarHBondContact O-N 3.4Å; K306-F310 VanDerWaalsContact O-CB 3.32Å; K306-F310 WeakPolarHBondContact O-CB 3.44Å; K306-F310 PolarHBondContact O-N 3.11Å
307L97.8Very high96.1Very high0 Ų043.3 Ų43.30%020%0.201CC..Hα-helixtrans-66.4-37.1175.2-177.355.4000111.8H38 M288 F292 V299 T301 Y303 P304 F310 L311H38-L307 HydrophobicContact CB-CD2 4.29Å; M288-L307 HydrophobicContact CB-CD1 4.47Å; M288-L307 HydrophobicContact CE-CB 3.97Å; M288-L307 HydrophobicContact CE-CD1 4.34Å; M288-L307 HydrophobicContact CG-CD1 4.03Å; M288-L307 HydrophobicContact SD-CB 4.34Å; M288-L307 HydrophobicContact SD-CD1 3.82Å; F292-L307 HydrophobicContact CE2-CD1 4.27Å; V299-L307 HydrophobicContact CB-CD1 4.27Å; V299-L307 HydrophobicContact CB-CD2 3.98Å; V299-L307 HydrophobicContact CG1-CD1 4.17Å; V299-L307 HydrophobicContact CG1-CD2 3.89Å; V299-L307 WeakPolarHBondContact O-CD2 3.22Å; T301-L307 HydrophobicContact CG2-CB 3.78Å; T301-L307 HydrophobicContact CG2-CD2 3.86Å; T301-L307 HydrophobicContact CG2-CG 4.49Å; Y303-L307 PolarHBondContact O-N 3.33Å; Y303-L307 VanDerWaalsContact O-N 3.15Å; P304-L307 PolarHBondContact O-N 3Å; L307-F310 HydrophobicContact CD1-CD1 4.14Å; L307-F310 PolarHBondContact O-N 3.16Å; L307-L311 HydrophobicContact CD1-CD1 4.37Å; L307-L311 HydrophobicContact CD1-CG 4.1Å; L307-L311 HydrophobicContact CG-CD1 4.19Å; L307-L311 HydrophobicContact CG-CG 4.38Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.34Å; L307-L311 PolarHBondContact O-N 3.17Å
308T97.2Very high95.4Very high20 Ų2045.1 Ų45.112%0.12321%0.213CC..Hα-helixtrans-62.4-45.3173.1-67.30000112.6H38 V62 P304 R305 K306 L311 K312H38-T308 PolarHBondContact CE1-OG1 3.39Å; H38-T308 PolarHBondContact ND1-OG1 3.01Å; V62-T308 WeakPolarHBondContact O-CB 3.4Å; V62-T308 WeakPolarHBondContact O-CG2 3.15Å; V62-T308 PolarHBondContact O-OG1 3.17Å; P304-T308 PolarHBondContact O-N 2.86Å; P304-T308 PolarHBondContact O-OG1 2.89Å; R305-T308 WeakPolarHBondContact O-CB 3.47Å; R305-T308 PolarHBondContact O-N 3.48Å; K306-T308 VanDerWaalsContact C-N 3.34Å; T308-L311 PolarHBondContact O-N 3.32Å; T308-K312 HydrophobicContact CG2-CD 4.26Å; T308-K312 WeakPolarHBondContact O-CB 3.4Å; T308-K312 VanDerWaalsContact O-CG 3.32Å; T308-K312 WeakPolarHBondContact O-CG 3.4Å; T308-K312 PolarHBondContact O-N 3.13Å
309E97.2Very high94.3Very high93 Ų9348.4 Ų48.444%0.43523%0.225SC..Hα-helixtrans-63.1-44.7176.2-73.1174.2-173.600111.6R305 K306 K312 K313R305-E309 WeakPolarHBondContact O-CG 3.27Å; R305-E309 PolarHBondContact O-N 3.01Å; K306-E309 PolarHBondContact O-N 3.4Å; E309-K312 PolarHBondContact O-N 2.72Å; E309-K313 WeakPolarHBondContact O-CG 3.37Å; E309-K313 PolarHBondContact O-N 3.36Å
310F97.3Very high92.8Very high0 Ų051.2 Ų51.20%024%0.242CC..Hα-helixtrans-57.2-52174175-90.6000111E285 M288 R289 F292 K306 L307 K312 K313 H314 Y317E285-F310 HydrophobicContact CB-CD2 3.93Å; E285-F310 HydrophobicContact CB-CE2 4.3Å; E285-F310 HydrophobicContact CG-CD2 3.94Å; E285-F310 WeakPolarHBondContact O-CE2 3.42Å; M288-F310 HydrophobicContact CB-CD1 3.92Å; M288-F310 HydrophobicContact CB-CD2 4.16Å; M288-F310 HydrophobicContact CB-CE1 3.88Å; M288-F310 HydrophobicContact CB-CE2 4.09Å; M288-F310 HydrophobicContact CB-CG 4.07Å; M288-F310 HydrophobicContact CB-CZ 3.96Å; M288-F310 HydrophobicContact SD-CB 3.86Å; M288-F310 HydrophobicContact SD-CD1 4.37Å; M288-F310 HydrophobicContact SD-CD2 4.37Å; M288-F310 HydrophobicContact SD-CG 3.93Å; R289-F310 HydrophobicContact CB-CE2 3.99Å; R289-F310 HydrophobicContact CB-CZ 3.85Å; F292-F310 AromaticContact CD2-CE1 3.71Å; F292-F310 HydrophobicContact CD2-CE1 3.71Å; F292-F310 HydrophobicContact CD2-CZ 4.47Å; F292-F310 HydrophobicContact CE2-CD1 4.34Å; F292-F310 AromaticContact CE2-CE1 3.88Å; F292-F310 HydrophobicContact CE2-CE1 3.88Å; K306-F310 VanDerWaalsContact O-CB 3.32Å; K306-F310 WeakPolarHBondContact O-CB 3.44Å; K306-F310 PolarHBondContact O-N 3.11Å; L307-F310 HydrophobicContact CD1-CD1 4.14Å; L307-F310 PolarHBondContact O-N 3.16Å; F310-K312 VanDerWaalsContact C-N 3.32Å; F310-K312 PolarHBondContact O-N 2.98Å; F310-K313 PolarHBondContact O-N 3.48Å; F310-K313 VanDerWaalsContact O-N 3.14Å; F310-H314 AromaticContact CD2-CD2 3.76Å; F310-H314 AromaticContact CE2-CD2 3.46Å; F310-H314 VanDerWaalsContact CE2-CD2 3.46Å; F310-H314 WeakPolarHBondContact CE2-CD2 3.49Å; F310-H314 AromaticContact CE2-NE2 3.68Å; F310-H314 AromaticContact CZ-CD2 3.67Å; F310-H314 PolarHBondContact O-CD2 3.32Å; F310-H314 VanDerWaalsContact O-CD2 3.31Å; F310-H314 PolarHBondContact O-N 2.81Å; F310-Y317 AromaticContact CE1-CD2 3.72Å; F310-Y317 HydrophobicContact CE1-CD2 3.72Å; F310-Y317 AromaticContact CE1-CE2 3.73Å; F310-Y317 HydrophobicContact CE1-CE2 3.73Å; F310-Y317 HydrophobicContact CZ-CD2 4.1Å; F310-Y317 AromaticContact CZ-CE2 3.6Å; F310-Y317 HydrophobicContact CZ-CE2 3.6Å
311L96.9Very high90.4Very high12 Ų1262 Ų626%0.06329%0.289CS..Hα-helixtrans-57-49.5178.4-75.9174.6000109.1H38 F292 L307 T308 K313 H314 R319H38-L311 HydrophobicContact CB-CD1 4.08Å; F292-L311 HydrophobicContact CE2-CD2 3.86Å; F292-L311 HydrophobicContact CZ-CD2 3.77Å; L307-L311 HydrophobicContact CD1-CD1 4.37Å; L307-L311 HydrophobicContact CD1-CG 4.1Å; L307-L311 HydrophobicContact CG-CD1 4.19Å; L307-L311 HydrophobicContact CG-CG 4.38Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.34Å; L307-L311 PolarHBondContact O-N 3.17Å; T308-L311 PolarHBondContact O-N 3.32Å; L311-K313 VanDerWaalsContact C-N 3.3Å; L311-K313 PolarHBondContact O-N 2.97Å; L311-H314 CarbonylContact O-C 3.58Å; L311-H314 PolarHBondContact O-N 2.72Å; L311-H314 VanDerWaalsContact O-O 3.11Å; L311-R319 HydrophobicContact CB-CG 4.5Å; L311-R319 PolarHBondContact O-NE 3.27Å; L311-R319 PolarHBondContact O-NH2 2.65Å
312K95.7Very high90.1Very high137 Ų13765.1 Ų65.160%0.59630%0.304SS*.Hα-helixtrans-52.5-39.9177.2-78.3175.7-178.6176.90114T308 E309 F310 H314 R319T308-K312 HydrophobicContact CG2-CD 4.26Å; T308-K312 WeakPolarHBondContact O-CB 3.4Å; T308-K312 VanDerWaalsContact O-CG 3.32Å; T308-K312 WeakPolarHBondContact O-CG 3.4Å; T308-K312 PolarHBondContact O-N 3.13Å; E309-K312 PolarHBondContact O-N 2.72Å; F310-K312 VanDerWaalsContact C-N 3.32Å; F310-K312 PolarHBondContact O-N 2.98Å; K312-H314 VanDerWaalsContact C-N 3.33Å; K312-R319 PolarHBondContact O-NH2 3.34Å
313K96.1Very high89.7Confident124 Ų12468.5 Ų68.554%0.53932%0.32SS..Hα-helixtrans-70.8-24.1177.2-66.6171-168.1171.80113.7E285 E309 F310 L311 P315E285-K313 IonicContact OE1-NZ 3.9Å; E285-K313 PolarHBondContact OE1-NZ 3.25Å; E309-K313 WeakPolarHBondContact O-CG 3.37Å; E309-K313 PolarHBondContact O-N 3.36Å; F310-K313 PolarHBondContact O-N 3.48Å; F310-K313 VanDerWaalsContact O-N 3.14Å; L311-K313 VanDerWaalsContact C-N 3.3Å; L311-K313 PolarHBondContact O-N 2.97Å; K313-P315 WeakPolarHBondContact O-CD 3.33Å
314H95Very high89.3Confident38 Ų3870 Ų7018%0.17633%0.328CS..  trans-120.680.7-172.6-69.8-76.2000112.7F310 L311 K312 E316 Y317 R319F310-H314 AromaticContact CD2-CD2 3.76Å; F310-H314 AromaticContact CE2-CD2 3.46Å; F310-H314 VanDerWaalsContact CE2-CD2 3.46Å; F310-H314 WeakPolarHBondContact CE2-CD2 3.49Å; F310-H314 AromaticContact CE2-NE2 3.68Å; F310-H314 AromaticContact CZ-CD2 3.67Å; F310-H314 PolarHBondContact O-CD2 3.32Å; F310-H314 VanDerWaalsContact O-CD2 3.31Å; F310-H314 PolarHBondContact O-N 2.81Å; L311-H314 CarbonylContact O-C 3.58Å; L311-H314 PolarHBondContact O-N 2.72Å; L311-H314 VanDerWaalsContact O-O 3.11Å; K312-H314 VanDerWaalsContact C-N 3.33Å; H314-E316 VanDerWaalsContact CA-OE2 3.25Å; H314-E316 WeakPolarHBondContact CA-OE2 3.31Å; H314-E316 IonicContact CG-OE1 3.43Å; H314-E316 IonicContact ND1-OE1 3.17Å; H314-E316 PolarHBondContact ND1-OE1 3.36Å; H314-E316 PolarHBondContact O-N 2.83Å; H314-Y317 HydrophobicContact CB-CD2 3.39Å; H314-Y317 HydrophobicContact CB-CE2 3.54Å; H314-Y317 HydrophobicContact CB-CG 4.39Å; H314-Y317 AromaticContact CG-CE2 3.76Å; H314-Y317 PolarHBondContact O-N 3.03Å; H314-R319 PolarHBondContact O-NH2 3.03Å
315P91.9Very high88.8Confident97 Ų9774 Ų7463%0.6335%0.347SS*.THydrogen-bonded Turntrans-70.3-12.1-175.327.8-34.8000114.8K313 Y317K313-P315 WeakPolarHBondContact O-CD 3.33Å; P315-Y317 VanDerWaalsContact C-N 3.26Å; P315-Y317 PolarHBondContact O-N 2.84Å
316E91.6Very high88.2Confident119 Ų11971.6 Ų71.656%0.55634%0.342SS*.THydrogen-bonded Turntrans-69.1-20.617466.3-85.4-160.200113.8H314H314-E316 VanDerWaalsContact CA-OE2 3.25Å; H314-E316 WeakPolarHBondContact CA-OE2 3.31Å; H314-E316 IonicContact CG-OE1 3.43Å; H314-E316 IonicContact ND1-OE1 3.17Å; H314-E316 PolarHBondContact ND1-OE1 3.36Å; H314-E316 PolarHBondContact O-N 2.83Å
317Y90Very high87.6Confident29 Ų2971.6 Ų71.611%0.11434%0.344CS..SBendtrans-89.5152.7179.1-57.6-39.7000111.8R289 F292 F310 H314 P315 R319R289-Y317 WeakPolarHBondContact CG-OH 3.48Å; F292-Y317 HydrophobicContact CB-CD1 3.42Å; F292-Y317 VanDerWaalsContact CB-CD1 3.42Å; F292-Y317 HydrophobicContact CB-CD2 4.04Å; F292-Y317 HydrophobicContact CB-CE1 3.45Å; F292-Y317 VanDerWaalsContact CB-CE1 3.45Å; F292-Y317 HydrophobicContact CB-CE2 4.08Å; F292-Y317 HydrophobicContact CB-CG 3.73Å; F292-Y317 HydrophobicContact CD1-CD1 4.49Å; F292-Y317 HydrophobicContact CD1-CG 4.29Å; F292-Y317 AromaticContact CD2-CD2 3.89Å; F292-Y317 HydrophobicContact CD2-CD2 3.89Å; F292-Y317 HydrophobicContact CD2-CE2 4.3Å; F292-Y317 HydrophobicContact CD2-CG 4.09Å; F292-Y317 AromaticContact CG-CD1 3.99Å; F292-Y317 HydrophobicContact CG-CD1 3.99Å; F292-Y317 HydrophobicContact CG-CD2 4.05Å; F292-Y317 HydrophobicContact CG-CE1 4.41Å; F292-Y317 HydrophobicContact CG-CE2 4.48Å; F292-Y317 AromaticContact CG-CG 3.79Å; F292-Y317 HydrophobicContact CG-CG 3.79Å; F310-Y317 AromaticContact CE1-CD2 3.72Å; F310-Y317 HydrophobicContact CE1-CD2 3.72Å; F310-Y317 AromaticContact CE1-CE2 3.73Å; F310-Y317 HydrophobicContact CE1-CE2 3.73Å; F310-Y317 HydrophobicContact CZ-CD2 4.1Å; F310-Y317 AromaticContact CZ-CE2 3.6Å; F310-Y317 HydrophobicContact CZ-CE2 3.6Å; H314-Y317 HydrophobicContact CB-CD2 3.39Å; H314-Y317 HydrophobicContact CB-CE2 3.54Å; H314-Y317 HydrophobicContact CB-CG 4.39Å; H314-Y317 AromaticContact CG-CE2 3.76Å; H314-Y317 PolarHBondContact O-N 3.03Å; P315-Y317 VanDerWaalsContact C-N 3.26Å; P315-Y317 PolarHBondContact O-N 2.84Å; Y317-R319 PolarHBondContact O-N 2.98Å
318P80.8Confident86.9Confident47 Ų4776.7 Ų76.731%0.30537%0.369SS..  trans-57.5136179.9-21.232000111.5P37P37-P318 HydrophobicContact CB-CB 4.26Å; P37-P318 WeakPolarHBondContact CB-O 3.44Å
319R73.4Confident86.1Confident69 Ų6981.1 Ų81.126%0.2639%0.388SS..  trans-137.9137.2173.8-56.5-174.4-161.81743.4109.1L311 K312 H314 Y317 F321L311-R319 HydrophobicContact CB-CG 4.5Å; L311-R319 PolarHBondContact O-NE 3.27Å; L311-R319 PolarHBondContact O-NH2 2.65Å; K312-R319 PolarHBondContact O-NH2 3.34Å; H314-R319 PolarHBondContact O-NH2 3.03Å; Y317-R319 PolarHBondContact O-N 2.98Å; R319-F321 HydrophobicContact CB-CE2 4.2Å; R319-F321 HydrophobicContact CB-CZ 4.28Å
320V64.7Low85.2Confident59 Ų5980.1 Ų80.136%0.35838%0.384SS..  trans-118117.2169.8-1740000105.3E35 P37 N65E35-V320 HydrophobicContact CB-CG2 3.59Å; P37-V320 HydrophobicContact CG-CG2 4.1Å; N65-V320 PolarHBondContact ND2-O 3.03Å
321F48.9Very low84.1Confident230 Ų23087.4 Ų87.4100%1.00942%0.419SS*.  trans-93.10178-67.3-70.3000110.9R319R319-F321 HydrophobicContact CB-CE2 4.2Å; R319-F321 HydrophobicContact CB-CZ 4.28Å

Retrieved 321 of 321 residues in 102.8 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).