A0A061HYC4_CRIGR Loading...

Tubulin delta chain

Acts as a positive regulator of hedgehog signaling and regulates ciliary function.

AlphaFold DB , UniProt , Accession A0A061HYC4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Tubd1, Length 455 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
1M84.6Confident95.1Very high56 Ų5618.9 Ų18.928%0.27610%0.097SC..  0142.80-60.2173.381.400109.2E48 R253 D254M1-E48 PolarHBondContact N-OE1 2.83Å; M1-R253 WeakPolarHBondContact CB-O 3.33Å; M1-R253 PolarHBondContact N-O 3.04Å; M1-D254 HydrophobicContact SD-CB 3.64Å
2S92.3Very high95.2Very high2 Ų217.3 Ų17.31%0.0149%0.089CC..EExtended strand (participates in β ladder)trans-89.5147.3-176.9-59.30000111.9E48 S132 S134S2-E48 PolarHBondContact OG-O 3.38Å; S2-S132 PolarHBondContact N-O 3.25Å; S2-S134 PolarHBondContact O-N 3.44Å
3I95.8Very high95.3Very high0 Ų016 Ų160%08%0.082CC..EExtended strand (participates in β ladder)trans-108.6134.3169.5-61.2174.1000107.8R49 F50 R62 F137 P255 L256I3-R49 HydrophobicContact CD1-CG 3.81Å; I3-R49 HydrophobicContact CG1-CG 4.01Å; I3-R49 PolarHBondContact N-O 3.14Å; I3-F50 HydrophobicContact CB-CE1 4.22Å; I3-F50 HydrophobicContact CD1-CE1 3.75Å; I3-F50 HydrophobicContact CD1-CZ 3.76Å; I3-F50 HydrophobicContact CG2-CE1 4.42Å; I3-R62 WeakPolarHBondContact O-CB 3.4Å; I3-F137 HydrophobicContact CG2-CB 3.59Å; I3-P255 HydrophobicContact CD1-CB 4.41Å; I3-P255 HydrophobicContact CD1-CG 3.53Å; I3-P255 HydrophobicContact CG1-CG 4.04Å; I3-L256 HydrophobicContact CD1-CD1 4.21Å; I3-L256 HydrophobicContact CD1-CD2 4.24Å; I3-L256 HydrophobicContact CD1-CG 3.97Å; I3-L256 HydrophobicContact CG1-CD1 4.08Å; I3-L256 HydrophobicContact CG1-CG 4.22Å; I3-L256 HydrophobicContact CG2-CD1 4.23Å
4V97.4Very high95.4Very high0 Ų018.4 Ų18.40%09%0.093CC..EExtended strand (participates in β ladder)trans-97.4118.2167.2175.60000108.7E126 V127 L133 G135 F136 F137V4-E126 HydrophobicContact CG1-CB 4.35Å; V4-E126 HydrophobicContact CG1-CG 4.2Å; V4-E126 HydrophobicContact CG2-CG 4.4Å; V4-V127 HydrophobicContact CG2-CG2 4.07Å; V4-L133 HydrophobicContact CB-CD1 4.33Å; V4-L133 HydrophobicContact CG2-CD1 3.82Å; V4-G135 PolarHBondContact N-O 3.22Å; V4-G135 VanDerWaalsContact N-O 3.16Å; V4-F136 HydrophobicContact CB-CD1 3.99Å; V4-F136 HydrophobicContact CB-CE1 4.11Å; V4-F136 HydrophobicContact CG1-CD1 4.19Å; V4-F136 HydrophobicContact CG1-CE1 4.25Å; V4-F136 WeakPolarHBondContact O-CA 3.44Å; V4-F137 PolarHBondContact O-N 3.36Å; V4-F137 VanDerWaalsContact O-N 3.09Å
5T98.2Very high95.5Very high2 Ų217.2 Ų17.21%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-89.4124.3179.4-58.90000110.8Q7 F20 R62 A63 V64 F137 I139T5-Q7 HydrophobicContact CG2-CG 4.01Å; T5-F20 HydrophobicContact CG2-CE2 3.93Å; T5-F20 HydrophobicContact CG2-CZ 4.37Å; T5-R62 PolarHBondContact N-O 2.96Å; T5-A63 CarbonylContact O-C 3.56Å; T5-A63 WeakPolarHBondContact O-CA 3.45Å; T5-V64 PolarHBondContact O-N 3.11Å; T5-F137 CarbonylContact C-O 3.36Å; T5-F137 WeakPolarHBondContact CA-O 3.23Å; T5-F137 HydrophobicContact CG2-CD1 4.06Å; T5-F137 WeakPolarHBondContact CG2-O 3.14Å; T5-I139 HydrophobicContact CG2-CD1 3.87Å; T5-I139 HydrophobicContact CG2-CG1 4.23Å
6V98.3Very high95.6Very high0 Ų016.1 Ų16.10%08%0.082CC..EExtended strand (participates in β ladder)trans-107.4113.2176.1-173.50000108.9L8 I123 F136 F137 I138 I139 V154 L158V6-L8 HydrophobicContact CG1-CD1 4.02Å; V6-L8 HydrophobicContact CG1-CG 4.09Å; V6-I123 HydrophobicContact CG1-CD1 4.3Å; V6-I123 HydrophobicContact CG2-CD1 4.14Å; V6-I123 HydrophobicContact CG2-CG1 4.4Å; V6-F136 HydrophobicContact CG2-CD1 4.26Å; V6-F137 PolarHBondContact N-O 2.81Å; V6-I138 HydrophobicContact CB-CG1 4.3Å; V6-I138 CarbonylContact O-C 3.56Å; V6-I138 WeakPolarHBondContact O-CA 3.49Å; V6-I139 PolarHBondContact O-N 2.92Å; V6-V154 HydrophobicContact CG1-CG1 4.41Å; V6-L158 HydrophobicContact CG2-CD1 4.42Å
7Q98.1Very high95.7Very high0 Ų016.2 Ų16.20%08%0.081CC..EExtended strand (participates in β ladder)trans-101.3119.4-176.8-57.3177.5900109.5T5 N13 V64 L65 V66 Y88T5-Q7 HydrophobicContact CG2-CG 4.01Å; Q7-N13 WeakPolarHBondContact CB-OD1 3.37Å; Q7-N13 PolarHBondContact O-OD1 3.44Å; Q7-V64 PolarHBondContact N-O 2.89Å; Q7-L65 HydrophobicContact CB-CG 4.48Å; Q7-V66 PolarHBondContact O-N 2.7Å; Q7-Y88 PolarHBondContact NE2-OH 3Å; Q7-Y88 PolarHBondContact OE1-OH 2.91Å
8L97.4Very high95.7Very high0 Ų016 Ų160%08%0.08CC..EExtended strand (participates in β ladder)trans-119.8124.9-170.5-72.6148.5000112.7V6 G12 V66 I138 I139 M140 V154V6-L8 HydrophobicContact CG1-CD1 4.02Å; V6-L8 HydrophobicContact CG1-CG 4.09Å; L8-G12 PolarHBondContact O-N 2.8Å; L8-V66 HydrophobicContact CD2-CB 3.77Å; L8-V66 HydrophobicContact CD2-CG1 3.93Å; L8-V66 HydrophobicContact CD2-CG2 4.37Å; L8-I138 HydrophobicContact CD1-CG2 3.56Å; L8-I139 PolarHBondContact N-O 2.88Å; L8-M140 HydrophobicContact CB-CB 4.19Å; L8-V154 HydrophobicContact CD2-CG2 4.29Å
9G95.6Very high95.8Very high1 Ų115.4 Ų15.41%0.018%0.077CC..Hα-helixtrans68.2-179.7178.400000114.1C11 G12 N13 V66G9-C11 PolarHBondContact O-N 3.01Å; G9-G12 PolarHBondContact O-N 3.31Å; G9-N13 WeakPolarHBondContact O-CB 3.4Å; G9-N13 PolarHBondContact O-N 2.78Å; G9-N13 PolarHBondContact O-ND2 2.98Å; G9-V66 PolarHBondContact N-O 3.5Å
10Q93.9Very high95.8Very high112 Ų11214.7 Ų14.752%0.5237%0.073SC..Hα-helixtrans-53.1-48.7-174.9171.3170.5-33.300113.5Q14 D67 V72Q10-Q14 VanDerWaalsContact O-CG 3.29Å; Q10-Q14 WeakPolarHBondContact O-CG 3.31Å; Q10-Q14 PolarHBondContact O-N 3.48Å; Q10-D67 WeakPolarHBondContact CA-OD2 3.33Å; Q10-D67 PolarHBondContact N-OD2 3.38Å; Q10-D67 VanDerWaalsContact N-OD2 3.11Å; Q10-V72 HydrophobicContact CB-CG2 4.01Å; Q10-V72 HydrophobicContact CG-CG2 3.71Å
11C94.3Very high95.8Very high35 Ų3514.5 Ų14.524%0.2367%0.073CC..Hα-helixtrans-67.7-47.1-177.7-179.40000111.3G9 N13 Q14 I15G9-C11 PolarHBondContact O-N 3.01Å; C11-N13 PolarHBondContact O-N 3.18Å; C11-Q14 PolarHBondContact O-N 3.49Å; C11-I15 WeakPolarHBondContact O-CG1 3.25Å; C11-I15 PolarHBondContact O-N 2.99Å; C11-I15 VanDerWaalsContact SG-CD1 3.51Å
12G96.4Very high96.3Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-61.4-42.5-17900000113L8 G9 Q14 I15 G16 I139L8-G12 PolarHBondContact O-N 2.8Å; G9-G12 PolarHBondContact O-N 3.31Å; G12-Q14 PolarHBondContact O-N 3.43Å; G12-I15 PolarHBondContact O-N 2.91Å; G12-G16 PolarHBondContact O-N 3.14Å; G12-I139 WeakPolarHBondContact CA-O 3.39Å
13N96.9Very high96.4Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-66.5-33.7177.7-71.2-51000113.3Q7 G9 C11 F17 L65 V66 V72Q7-N13 WeakPolarHBondContact CB-OD1 3.37Å; Q7-N13 PolarHBondContact O-OD1 3.44Å; G9-N13 WeakPolarHBondContact O-CB 3.4Å; G9-N13 PolarHBondContact O-N 2.78Å; G9-N13 PolarHBondContact O-ND2 2.98Å; C11-N13 PolarHBondContact O-N 3.18Å; N13-F17 PolarHBondContact O-N 2.89Å; N13-L65 WeakPolarHBondContact OD1-CB 3.3Å; N13-L65 WeakPolarHBondContact OD1-CG 3.48Å; N13-V66 PolarHBondContact ND2-O 3.49Å; N13-V72 HydrophobicContact CB-CG1 3.94Å
14Q96.3Very high96.3Very high50 Ų5013.2 Ų13.223%0.2347%0.067CC..Hα-helixtrans-75.4-40.9177.8-70.1177.938.900112.1Q10 C11 G12 E18 V72 N228Q10-Q14 VanDerWaalsContact O-CG 3.29Å; Q10-Q14 WeakPolarHBondContact O-CG 3.31Å; Q10-Q14 PolarHBondContact O-N 3.48Å; C11-Q14 PolarHBondContact O-N 3.49Å; G12-Q14 PolarHBondContact O-N 3.43Å; Q14-E18 PolarHBondContact O-N 2.53Å; Q14-V72 HydrophobicContact CG-CG1 3.86Å; Q14-N228 WeakPolarHBondContact CB-ND2 3.48Å
15I97.2Very high96Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-68-46.4176.3-68.8167.9000110C11 G12 F17 E18 V19 I139 I172 N228 L231C11-I15 WeakPolarHBondContact O-CG1 3.25Å; C11-I15 PolarHBondContact O-N 2.99Å; C11-I15 VanDerWaalsContact SG-CD1 3.51Å; G12-I15 PolarHBondContact O-N 2.91Å; I15-F17 PolarHBondContact O-N 2.8Å; I15-E18 PolarHBondContact O-N 3.09Å; I15-V19 HydrophobicContact CG2-CG2 3.9Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.25Å; I15-V19 PolarHBondContact O-N 2.89Å; I15-I139 HydrophobicContact CB-CG2 4.15Å; I15-I139 HydrophobicContact CG2-CG2 3.97Å; I15-I172 HydrophobicContact CD1-CD1 3.65Å; I15-I172 HydrophobicContact CD1-CG1 3.41Å; I15-I172 VanDerWaalsContact CD1-CG1 3.41Å; I15-N228 HydrophobicContact CG1-CB 4.14Å; I15-N228 WeakPolarHBondContact CG1-OD1 3.41Å; I15-L231 HydrophobicContact CD1-CD1 3.78Å; I15-L231 HydrophobicContact CG1-CD1 4.22Å
16G97Very high95.7Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-55.3-40.9179.600000112.5G12 V19 F20G12-G16 PolarHBondContact O-N 3.14Å; G16-V19 PolarHBondContact O-N 3Å; G16-F20 VanDerWaalsContact O-CD2 3.27Å; G16-F20 WeakPolarHBondContact O-CD2 3.42Å; G16-F20 PolarHBondContact O-N 2.8Å
17F96.6Very high95.2Very high17 Ų1717 Ų178%0.0758%0.082CC..Hα-helixtrans-57-53.4171.5174.2-97.3000113.2N13 I15 V19 F20 D21 T76 K79 A80 W86 Y88N13-F17 PolarHBondContact O-N 2.89Å; I15-F17 PolarHBondContact O-N 2.8Å; F17-V19 VanDerWaalsContact C-N 3.26Å; F17-V19 PolarHBondContact O-N 3.26Å; F17-F20 PolarHBondContact O-N 3.35Å; F17-D21 WeakPolarHBondContact O-CB 3.49Å; F17-D21 PolarHBondContact O-N 3.45Å; F17-T76 HydrophobicContact CB-CG2 3.81Å; F17-T76 HydrophobicContact CD2-CG2 4.11Å; F17-T76 HydrophobicContact CG-CG2 4.27Å; F17-K79 HydrophobicContact CE1-CB 4.49Å; F17-K79 HydrophobicContact CE1-CD 4.45Å; F17-K79 HydrophobicContact CE2-CB 3.85Å; F17-K79 HydrophobicContact CZ-CB 3.82Å; F17-A80 HydrophobicContact CD2-CB 4.32Å; F17-A80 HydrophobicContact CE2-CB 3.97Å; F17-W86 AromaticContact CD2-CH2 3.76Å; F17-W86 HydrophobicContact CD2-CH2 3.76Å; F17-W86 AromaticContact CD2-CZ2 3.7Å; F17-W86 HydrophobicContact CD2-CZ2 3.7Å; F17-W86 HydrophobicContact CE2-CH2 4.15Å; F17-W86 AromaticContact CE2-CZ2 3.72Å; F17-W86 HydrophobicContact CE2-CZ2 3.72Å; F17-Y88 WeakPolarHBondContact CA-OH 3.48Å; F17-Y88 HydrophobicContact CD2-CE2 4.44Å; F17-Y88 PolarHBondContact N-OH 3.3Å
18E96.9Very high94.7Very high13 Ų1322.7 Ų22.76%0.06111%0.108CC..Hα-helixtrans-64.6-32.9-178.7-62.3-69.3160.600111.1Q14 I15 D21 A22 R225 N228 Q229 A232Q14-E18 PolarHBondContact O-N 2.53Å; I15-E18 PolarHBondContact O-N 3.09Å; E18-D21 PolarHBondContact O-N 3.13Å; E18-A22 VanDerWaalsContact O-CB 3.28Å; E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 3.22Å; E18-R225 IonicContact OE1-NE 3.88Å; E18-N228 HydrophobicContact CB-CB 4.37Å; E18-N228 HydrophobicContact CG-CB 3.87Å; E18-Q229 HydrophobicContact CG-CG 4.4Å; E18-Q229 VanDerWaalsContact OE2-CG 3.27Å; E18-Q229 WeakPolarHBondContact OE2-CG 3.49Å; E18-Q229 PolarHBondContact OE2-NE2 3.46Å; E18-A232 HydrophobicContact CB-CB 3.81Å; E18-A232 WeakPolarHBondContact O-CB 3.41Å
19V96.7Very high93.9Very high4 Ų424 Ų242%0.02412%0.117CC..Hα-helixtrans-63-53.2174.8171.60000111I15 G16 F17 D21 A22 L23 A232 L235I15-V19 HydrophobicContact CG2-CG2 3.9Å; I15-V19 VanDerWaalsContact O-CG2 3.29Å; I15-V19 WeakPolarHBondContact O-CG2 3.25Å; I15-V19 PolarHBondContact O-N 2.89Å; G16-V19 PolarHBondContact O-N 3Å; F17-V19 VanDerWaalsContact C-N 3.26Å; F17-V19 PolarHBondContact O-N 3.26Å; V19-D21 VanDerWaalsContact C-N 3.26Å; V19-D21 PolarHBondContact O-N 2.85Å; V19-A22 PolarHBondContact O-N 3.17Å; V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 HydrophobicContact CG1-CG 4.42Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 3.31Å; V19-A232 HydrophobicContact CG2-CB 4.07Å; V19-L235 HydrophobicContact CG1-CD1 4.42Å; V19-L235 HydrophobicContact CG2-CD1 3.45Å; V19-L235 VanDerWaalsContact CG2-CD1 3.45Å
20F96.6Very high93Very high1 Ų128.3 Ų28.30%0.00415%0.147CC..Hα-helixtrans-62.1-36.6177.5-83.3-76.4000111.8T5 G16 F17 F24 F50 F51 A61 A63 W86 Y88T5-F20 HydrophobicContact CG2-CE2 3.93Å; T5-F20 HydrophobicContact CG2-CZ 4.37Å; G16-F20 VanDerWaalsContact O-CD2 3.27Å; G16-F20 WeakPolarHBondContact O-CD2 3.42Å; G16-F20 PolarHBondContact O-N 2.8Å; F17-F20 PolarHBondContact O-N 3.35Å; F20-F24 WeakPolarHBondContact O-CB 3.46Å; F20-F24 PolarHBondContact O-N 2.79Å; F20-F50 HydrophobicContact CE1-CB 4.02Å; F20-F50 HydrophobicContact CE1-CD1 4.37Å; F20-F50 WeakPolarHBondContact CE1-O 3.39Å; F20-F51 AromaticContact CD1-CE1 3.83Å; F20-F51 HydrophobicContact CD1-CE1 3.83Å; F20-F51 AromaticContact CD1-CZ 3.78Å; F20-F51 HydrophobicContact CD1-CZ 3.78Å; F20-A61 HydrophobicContact CD1-CB 3.64Å; F20-A61 HydrophobicContact CD2-CB 4.42Å; F20-A61 HydrophobicContact CE1-CB 3.62Å; F20-A61 HydrophobicContact CE2-CB 4.43Å; F20-A61 HydrophobicContact CG-CB 4.07Å; F20-A61 HydrophobicContact CZ-CB 4.05Å; F20-A63 HydrophobicContact CE2-CB 3.59Å; F20-A63 HydrophobicContact CZ-CB 3.76Å; F20-W86 HydrophobicContact CB-CD2 4.47Å; F20-W86 HydrophobicContact CB-CE3 4.4Å; F20-W86 HydrophobicContact CB-CH2 3.59Å; F20-W86 HydrophobicContact CB-CZ2 3.67Å; F20-W86 HydrophobicContact CB-CZ3 3.98Å; F20-W86 HydrophobicContact CG-CH2 4.42Å; F20-W86 HydrophobicContact CG-CZ3 4.47Å; F20-Y88 HydrophobicContact CD2-CE1 4.43Å
21D95.2Very high91.9Very high12 Ų1224.9 Ų24.96%0.06413%0.134CC..Hα-helixtrans-66.7-41.5176.2-155.761.1000112.6F17 E18 V19 R25 R85 W86F17-D21 WeakPolarHBondContact O-CB 3.49Å; F17-D21 PolarHBondContact O-N 3.45Å; E18-D21 PolarHBondContact O-N 3.13Å; V19-D21 VanDerWaalsContact C-N 3.26Å; V19-D21 PolarHBondContact O-N 2.85Å; D21-R25 WeakPolarHBondContact O-CB 3.38Å; D21-R25 PolarHBondContact O-N 3.41Å; D21-R85 IonicContact OD1-CZ 3.85Å; D21-R85 IonicContact OD1-NE 2.83Å; D21-R85 IonicContact OD1-NH1 3.64Å; D21-R85 PolarHBondContact OD1-NH1 3.3Å; D21-R85 IonicContact OD1-NH2 3.47Å; D21-R85 PolarHBondContact OD1-NH2 3.08Å; D21-R85 IonicContact OD2-CZ 3.88Å; D21-R85 IonicContact OD2-NH1 2.75Å; D21-R85 PolarHBondContact OD2-NH1 3.38Å; D21-R85 IonicContact OD2-NH2 3.01Å; D21-R85 PolarHBondContact OD2-NH2 3.29Å; D21-W86 HydrophobicContact CB-CZ2 4.34Å; D21-W86 PolarHBondContact OD1-NE1 3.49Å
22A94.3Very high91Very high7 Ų725.6 Ų25.66%0.05815%0.147CC..Hα-helixtrans-65.8-44.3176.700000111.7E18 V19 R25 D26 A232E18-A22 VanDerWaalsContact O-CB 3.28Å; E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 3.22Å; V19-A22 PolarHBondContact O-N 3.17Å; A22-R25 PolarHBondContact O-N 3.24Å; A22-D26 WeakPolarHBondContact O-CB 3.37Å; A22-D26 PolarHBondContact O-N 3.08Å; A22-A232 HydrophobicContact CB-CB 3.98Å
23L94.6Very high89.9Confident1 Ų131.9 Ų31.91%0.00518%0.18CC..Hα-helixtrans-60.5-48.2176.3-69.6173.1000110.9V19 T27 F50 F51 F239 Q240V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 HydrophobicContact CG1-CG 4.42Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L23 PolarHBondContact O-N 3.31Å; L23-T27 WeakPolarHBondContact O-CG2 3.44Å; L23-T27 PolarHBondContact O-N 3.32Å; L23-F50 HydrophobicContact CD1-CD1 4.11Å; L23-F50 HydrophobicContact CD1-CD2 3.74Å; L23-F50 HydrophobicContact CD1-CE1 4.24Å; L23-F50 HydrophobicContact CD1-CE2 3.86Å; L23-F50 HydrophobicContact CD1-CG 3.87Å; L23-F50 HydrophobicContact CD1-CZ 4.12Å; L23-F50 HydrophobicContact CD2-CE2 4.34Å; L23-F51 HydrophobicContact CB-CE2 4.48Å; L23-F239 HydrophobicContact CD2-CB 4.49Å; L23-Q240 HydrophobicContact CD2-CG 3.97Å; L23-Q240 PolarHBondContact O-NE2 3.26Å
24F93.4Very high89.1Confident23 Ų2332.4 Ų32.410%0.10118%0.184CC..Hα-helixtrans-64.3-48.6178-175.9-92.2000111.6F20 D26 T27 Q28 F51 P59 R85 W86F20-F24 WeakPolarHBondContact O-CB 3.46Å; F20-F24 PolarHBondContact O-N 2.79Å; F24-D26 VanDerWaalsContact C-N 3.27Å; F24-D26 PolarHBondContact O-N 2.78Å; F24-T27 PolarHBondContact O-N 2.94Å; F24-T27 PolarHBondContact O-OG1 3.32Å; F24-Q28 HydrophobicContact CD1-CG 4.35Å; F24-Q28 HydrophobicContact CE1-CG 3.81Å; F24-Q28 HydrophobicContact CZ-CG 4.14Å; F24-Q28 PolarHBondContact O-N 2.76Å; F24-F51 HydrophobicContact CB-CZ 3.92Å; F24-F51 HydrophobicContact CD2-CZ 4.41Å; F24-P59 HydrophobicContact CE2-CG 4.03Å; F24-R85 HydrophobicContact CD1-CB 3.86Å; F24-R85 HydrophobicContact CD1-CG 4.47Å; F24-R85 HydrophobicContact CE1-CB 3.56Å; F24-R85 HydrophobicContact CE1-CG 4.01Å; F24-R85 WeakPolarHBondContact CE2-O 3.49Å; F24-R85 HydrophobicContact CZ-CB 4.28Å; F24-R85 VanDerWaalsContact CZ-O 3.23Å; F24-R85 WeakPolarHBondContact CZ-O 3.38Å; F24-W86 HydrophobicContact CB-CG 4.49Å; F24-W86 HydrophobicContact CD2-CB 4.29Å; F24-W86 HydrophobicContact CG-CB 4.47Å; F24-W86 AromaticContact CG-CD1 3.88Å; F24-W86 HydrophobicContact CG-CG 4.47Å
25R92.1Very high88.5Confident79 Ų7932.6 Ų32.630%0.29819%0.19SC..Hα-helixtrans-55.4-45.3179.4-178.8176.476-148.25.3111.2D21 A22 T27 Q28 C29 D387D21-R25 WeakPolarHBondContact O-CB 3.38Å; D21-R25 PolarHBondContact O-N 3.41Å; A22-R25 PolarHBondContact O-N 3.24Å; R25-T27 VanDerWaalsContact C-N 3.28Å; R25-T27 PolarHBondContact O-N 3.28Å; R25-Q28 PolarHBondContact O-N 3.06Å; R25-C29 PolarHBondContact O-N 3.5Å; R25-C29 VanDerWaalsContact O-N 3.1Å; R25-D387 IonicContact CZ-OD1 3.82Å; R25-D387 IonicContact CZ-OD2 3.06Å; R25-D387 IonicContact NE-OD1 3.27Å; R25-D387 PolarHBondContact NE-OD1 3.39Å; R25-D387 IonicContact NH2-OD1 3.41Å; R25-D387 PolarHBondContact NH2-OD1 2.93Å; R25-D387 IonicContact NH2-OD2 3.58Å; R25-D387 PolarHBondContact NH2-OD2 3.29Å
26D91.8Very high87.9Confident0 Ų040.4 Ų40.40%022%0.224CC..Hα-helixtrans-60.6-36.5179.4174.464.3000112.2A22 F24 Q28 C29 Y42 Q240 R384 F386 D387A22-D26 WeakPolarHBondContact O-CB 3.37Å; A22-D26 PolarHBondContact O-N 3.08Å; F24-D26 VanDerWaalsContact C-N 3.27Å; F24-D26 PolarHBondContact O-N 2.78Å; D26-Q28 PolarHBondContact O-N 3.03Å; D26-C29 WeakPolarHBondContact O-CB 3.5Å; D26-C29 PolarHBondContact O-N 3.09Å; D26-C29 VanDerWaalsContact O-N 3.15Å; D26-Y42 VanDerWaalsContact OD2-CE1 3.29Å; D26-Y42 WeakPolarHBondContact OD2-CE1 3.45Å; D26-Y42 VanDerWaalsContact OD2-CZ 3.31Å; D26-Y42 PolarHBondContact OD2-OH 3.46Å; D26-Q240 VanDerWaalsContact OD2-CD 3.27Å; D26-Q240 WeakPolarHBondContact OD2-CG 3.04Å; D26-Q240 PolarHBondContact OD2-NE2 3.41Å; D26-R384 PolarHBondContact O-NH1 2.9Å; D26-R384 PolarHBondContact O-NH2 2.89Å; D26-R384 IonicContact OD1-NH1 2.79Å; D26-R384 PolarHBondContact OD1-NH1 3.32Å; D26-R384 VanDerWaalsContact OD1-NH1 3.09Å; D26-R384 IonicContact OD2-NH1 3.72Å; D26-R384 PolarHBondContact OD2-NH1 3.05Å; D26-F386 HydrophobicContact CB-CD2 4.19Å; D26-F386 HydrophobicContact CB-CE2 3.88Å; D26-F386 VanDerWaalsContact CG-CD2 3.44Å; D26-F386 WeakPolarHBondContact OD1-CA 3.44Å; D26-F386 WeakPolarHBondContact OD1-CD2 3.16Å; D26-D387 PolarHBondContact OD1-N 3.43Å
27T88.8Confident87.4Confident3 Ų350.1 Ų50.12%0.01826%0.261CS..Hα-helixtrans-61.8-26.4174.668.70000113.5L23 F24 R25 Q43 C46L23-T27 WeakPolarHBondContact O-CG2 3.44Å; L23-T27 PolarHBondContact O-N 3.32Å; F24-T27 PolarHBondContact O-N 2.94Å; F24-T27 PolarHBondContact O-OG1 3.32Å; R25-T27 VanDerWaalsContact C-N 3.28Å; R25-T27 PolarHBondContact O-N 3.28Å; T27-Q43 PolarHBondContact O-NE2 3.35Å; T27-C46 HydrophobicContact CG2-CB 3.75Å; T27-C46 VanDerWaalsContact CG2-SG 3.52Å
28Q85.7Confident86.8Confident118 Ų11852.2 Ų52.255%0.55127%0.271SS*.Hα-helixtrans-92.8-12.8179.7-54.8-54.5-53.900113F24 R25 D26F24-Q28 HydrophobicContact CD1-CG 4.35Å; F24-Q28 HydrophobicContact CE1-CG 3.81Å; F24-Q28 HydrophobicContact CZ-CG 4.14Å; F24-Q28 PolarHBondContact O-N 2.76Å; R25-Q28 PolarHBondContact O-N 3.06Å; D26-Q28 PolarHBondContact O-N 3.03Å
29C82.6Confident86.4Confident28 Ų2852.4 Ų52.419%0.18927%0.273CS..SBendtrans-65.3156.6176.6-780000111.9R25 D26 R384 D387R25-C29 PolarHBondContact O-N 3.5Å; R25-C29 VanDerWaalsContact O-N 3.1Å; D26-C29 WeakPolarHBondContact O-CB 3.5Å; D26-C29 PolarHBondContact O-N 3.09Å; D26-C29 VanDerWaalsContact O-N 3.15Å; C29-R384 PolarHBondContact O-NH2 2.91Å; C29-D387 PolarHBondContact SG-O 2.96Å
30S75.4Confident86Confident92 Ų9256.8 Ų56.864%0.64329%0.293SS*.  trans-56132.5177.7-179.70000110.4G32S30-G32 PolarHBondContact O-N 2.91Å; S30-G32 PolarHBondContact OG-N 3.16Å
31P71.9Confident85.6Confident40 Ų4058.7 Ų58.726%0.2631%0.309SS..  trans-65.3-8.2178.627-34.5000113.3L33 C34 N39P31-L33 PolarHBondContact O-N 3.23Å; P31-C34 HydrophobicContact CB-CB 4.06Å; P31-C34 WeakPolarHBondContact O-CB 3.24Å; P31-C34 PolarHBondContact O-N 3.31Å; P31-N39 HydrophobicContact CB-CB 3.9Å
32G74.4Confident85.4Confident49 Ų4958.1 Ų58.151%0.50531%0.306SS..THydrogen-bonded Turntrans66.9-123.7-172.100000110.1S30S30-G32 PolarHBondContact O-N 2.91Å; S30-G32 PolarHBondContact OG-N 3.16Å
33L72.5Confident85.2Confident133 Ų13360.1 Ų60.170%0.69631%0.314SS*.THydrogen-bonded Turntrans-92.43177.8-66.1169.1000113.4P31 K351P31-L33 PolarHBondContact O-N 3.23Å; L33-K351 HydrophobicContact CD1-CB 4.44Å; L33-K351 HydrophobicContact CD1-CD 3.57Å; L33-K351 HydrophobicContact CD1-CG 3.72Å
34C80.4Confident85Confident10 Ų1062.7 Ų62.77%0.06834%0.336CS..  trans-67.4141179.1-178.60000110.9P31 E38 R384P31-C34 HydrophobicContact CB-CB 4.06Å; P31-C34 WeakPolarHBondContact O-CB 3.24Å; P31-C34 PolarHBondContact O-N 3.31Å; C34-E38 WeakPolarHBondContact SG-CB 3.28Å; C34-R384 HydrophobicContact CB-CB 4.32Å; C34-R384 HydrophobicContact CB-CG 4.39Å
35S84.1Confident84.8Confident54 Ų5462.3 Ų62.338%0.37834%0.336SS..  trans-66.1156.2178.171.80000111.4R37 E38 N39S35-R37 VanDerWaalsContact C-N 3.28Å; S35-R37 PolarHBondContact O-N 3.31Å; S35-E38 VanDerWaalsContact CB-OE2 3.27Å; S35-E38 WeakPolarHBondContact CB-OE2 3.42Å; S35-E38 PolarHBondContact N-OE2 2.8Å; S35-E38 PolarHBondContact O-N 2.75Å; S35-E38 WeakPolarHBondContact OG-CB 3.27Å; S35-E38 VanDerWaalsContact OG-CD 3.29Å; S35-E38 VanDerWaalsContact OG-CG 3.23Å; S35-E38 WeakPolarHBondContact OG-CG 2.97Å; S35-E38 PolarHBondContact OG-N 3.38Å; S35-E38 PolarHBondContact OG-OE2 2.73Å; S35-N39 PolarHBondContact O-N 3Å
36K85.6Confident84.8Confident164 Ų16458.6 Ų58.671%0.71332%0.322SS*.Hα-helixtrans-55.3-44.3178.2-169.5-175.9-177.9-163.10111.9N39 E40K36-N39 PolarHBondContact O-N 3.28Å; K36-E40 WeakPolarHBondContact CE-OE1 3.43Å; K36-E40 IonicContact NZ-OE1 3.88Å; K36-E40 WeakPolarHBondContact O-CG 3.42Å; K36-E40 PolarHBondContact O-N 3.49Å
37R85.8Confident84.8Confident204 Ų20461.9 Ų61.977%0.7734%0.336SS*.Hα-helixtrans-63.4-44.1-179.7-175.8-179.4178.7-174.9-0.8112.3S35 N39 E40 A41S35-R37 VanDerWaalsContact C-N 3.28Å; S35-R37 PolarHBondContact O-N 3.31Å; R37-N39 VanDerWaalsContact C-N 3.33Å; R37-E40 PolarHBondContact O-N 3.22Å; R37-A41 WeakPolarHBondContact O-CB 3.21Å; R37-A41 PolarHBondContact O-N 3.05Å
38E84.4Confident84.9Confident62 Ų6266.2 Ų66.229%0.2936%0.356SS..Hα-helixtrans-66.6-36.4177.3-72.6167.9123.700111.9C34 S35 A41 Y42 Y251C34-E38 WeakPolarHBondContact SG-CB 3.28Å; S35-E38 VanDerWaalsContact CB-OE2 3.27Å; S35-E38 WeakPolarHBondContact CB-OE2 3.42Å; S35-E38 PolarHBondContact N-OE2 2.8Å; S35-E38 PolarHBondContact O-N 2.75Å; S35-E38 WeakPolarHBondContact OG-CB 3.27Å; S35-E38 VanDerWaalsContact OG-CD 3.29Å; S35-E38 VanDerWaalsContact OG-CG 3.23Å; S35-E38 WeakPolarHBondContact OG-CG 2.97Å; S35-E38 PolarHBondContact OG-N 3.38Å; S35-E38 PolarHBondContact OG-OE2 2.73Å; E38-A41 PolarHBondContact O-N 3.46Å; E38-Y42 WeakPolarHBondContact O-CB 3.2Å; E38-Y42 PolarHBondContact O-N 3.47Å; E38-Y251 PolarHBondContact O-OH 3.14Å
39N87.6Confident85.2Confident17 Ų1760.8 Ų60.89%0.09133%0.33CS..Hα-helixtrans-68.2-41.5175.5-176.368.2000111.8P31 S35 K36 R37 A41 Y42 Q43 R384P31-N39 HydrophobicContact CB-CB 3.9Å; S35-N39 PolarHBondContact O-N 3Å; K36-N39 PolarHBondContact O-N 3.28Å; R37-N39 VanDerWaalsContact C-N 3.33Å; N39-A41 VanDerWaalsContact C-N 3.35Å; N39-A41 PolarHBondContact O-N 3.4Å; N39-Y42 WeakPolarHBondContact O-CB 3.41Å; N39-Y42 PolarHBondContact O-N 3.38Å; N39-Q43 PolarHBondContact ND2-NE2 3.08Å; N39-Q43 VanDerWaalsContact ND2-NE2 3.14Å; N39-Q43 VanDerWaalsContact O-CG 3.29Å; N39-Q43 WeakPolarHBondContact O-CG 3.45Å; N39-Q43 PolarHBondContact O-N 2.9Å; N39-R384 PolarHBondContact OD1-NE 3.21Å; N39-R384 PolarHBondContact OD1-NH2 2.96Å
40E88.9Confident85.8Confident95 Ų9559.5 Ų59.544%0.44432%0.322SS..Hα-helixtrans-60.5-44.3173.9-74.2168.1179.300111.2K36 R37 Y42 Q43 A44K36-E40 WeakPolarHBondContact CE-OE1 3.43Å; K36-E40 IonicContact NZ-OE1 3.88Å; K36-E40 WeakPolarHBondContact O-CG 3.42Å; K36-E40 PolarHBondContact O-N 3.49Å; R37-E40 PolarHBondContact O-N 3.22Å; E40-Y42 VanDerWaalsContact C-N 3.32Å; E40-Y42 PolarHBondContact O-N 2.96Å; E40-Q43 PolarHBondContact O-N 3Å; E40-A44 WeakPolarHBondContact O-CB 3.27Å; E40-A44 PolarHBondContact O-N 3Å
41A88.9Confident86.7Confident42 Ų4255.4 Ų55.435%0.34729%0.292SS..Hα-helixtrans-63.4-36.7175.800000112.6R37 E38 N39 S45 Y251R37-A41 WeakPolarHBondContact O-CB 3.21Å; R37-A41 PolarHBondContact O-N 3.05Å; E38-A41 PolarHBondContact O-N 3.46Å; N39-A41 VanDerWaalsContact C-N 3.35Å; N39-A41 PolarHBondContact O-N 3.4Å; A41-S45 WeakPolarHBondContact O-CB 3.27Å; A41-S45 PolarHBondContact O-N 3.37Å; A41-Y251 HydrophobicContact CB-CD2 4.05Å; A41-Y251 HydrophobicContact CB-CE2 3.96Å
42Y89.8Confident87.7Confident0 Ų055.2 Ų55.20%029%0.286CS..Hα-helixtrans-64.6-49.5175.8-178-87.8000110.9D26 E38 N39 E40 A44 S45 C46 Q240 P241 Y251 R384D26-Y42 VanDerWaalsContact OD2-CE1 3.29Å; D26-Y42 WeakPolarHBondContact OD2-CE1 3.45Å; D26-Y42 VanDerWaalsContact OD2-CZ 3.31Å; D26-Y42 PolarHBondContact OD2-OH 3.46Å; E38-Y42 WeakPolarHBondContact O-CB 3.2Å; E38-Y42 PolarHBondContact O-N 3.47Å; N39-Y42 WeakPolarHBondContact O-CB 3.41Å; N39-Y42 PolarHBondContact O-N 3.38Å; E40-Y42 VanDerWaalsContact C-N 3.32Å; E40-Y42 PolarHBondContact O-N 2.96Å; Y42-A44 VanDerWaalsContact C-N 3.33Å; Y42-A44 PolarHBondContact O-N 3.26Å; Y42-S45 PolarHBondContact O-N 2.69Å; Y42-C46 PolarHBondContact O-N 2.9Å; Y42-Q240 HydrophobicContact CE2-CB 4.21Å; Y42-Q240 WeakPolarHBondContact OH-CB 3.36Å; Y42-Q240 WeakPolarHBondContact OH-CG 3.19Å; Y42-P241 HydrophobicContact CD2-CB 3.71Å; Y42-P241 HydrophobicContact CD2-CG 3.96Å; Y42-P241 HydrophobicContact CE2-CB 4.03Å; Y42-P241 HydrophobicContact CE2-CG 4.17Å; Y42-P241 WeakPolarHBondContact CE2-O 3.32Å; Y42-P241 HydrophobicContact CG-CB 4.39Å; Y42-P241 HydrophobicContact CG-CG 4.28Å; Y42-Y251 VanDerWaalsContact CA-CE2 3.41Å; Y42-Y251 AromaticContact CD2-CE1 3.97Å; Y42-Y251 HydrophobicContact CD2-CE1 3.97Å; Y42-Y251 HydrophobicContact CD2-CE2 4.33Å; Y42-Y251 AromaticContact CD2-CZ 3.72Å; Y42-Y251 VanDerWaalsContact N-CE2 3.26Å; Y42-R384 VanDerWaalsContact CD1-CD 3.46Å; Y42-R384 VanDerWaalsContact CE1-NH1 3.28Å
43Q90.3Very high88.2Confident49 Ų4959.3 Ų59.323%0.22929%0.292CS..Hα-helixtrans-60.5-44.1177.9-69.3175.6-13.100111T27 N39 E40 C46 K47T27-Q43 PolarHBondContact O-NE2 3.35Å; N39-Q43 PolarHBondContact ND2-NE2 3.08Å; N39-Q43 VanDerWaalsContact ND2-NE2 3.14Å; N39-Q43 VanDerWaalsContact O-CG 3.29Å; N39-Q43 WeakPolarHBondContact O-CG 3.45Å; N39-Q43 PolarHBondContact O-N 2.9Å; E40-Q43 PolarHBondContact O-N 3Å; Q43-C46 PolarHBondContact O-N 3.24Å; Q43-K47 WeakPolarHBondContact O-CB 3.37Å; Q43-K47 VanDerWaalsContact O-CG 3.28Å; Q43-K47 WeakPolarHBondContact O-CG 3.44Å; Q43-K47 PolarHBondContact O-N 3.14Å
44A90.1Very high88.7Confident55 Ų5556.1 Ų56.146%0.45527%0.274SS..Hα-helixtrans-61.1-45.3176.800000111.9E40 Y42 K47 E48E40-A44 WeakPolarHBondContact O-CB 3.27Å; E40-A44 PolarHBondContact O-N 3Å; Y42-A44 VanDerWaalsContact C-N 3.33Å; Y42-A44 PolarHBondContact O-N 3.26Å; A44-K47 PolarHBondContact O-N 3.28Å; A44-E48 WeakPolarHBondContact O-CB 3.08Å; A44-E48 PolarHBondContact O-N 3.25Å
45S90.8Very high88.3Confident15 Ų1565.7 Ų65.711%0.10532%0.317CS..Hα-helixtrans-66-41.3178.6-178.40000112.5A41 Y42 R49A41-S45 WeakPolarHBondContact O-CB 3.27Å; A41-S45 PolarHBondContact O-N 3.37Å; Y42-S45 PolarHBondContact O-N 2.69Å; S45-R49 VanDerWaalsContact O-CB 3.27Å; S45-R49 WeakPolarHBondContact O-CB 3.13Å; S45-R49 PolarHBondContact O-N 2.89Å; S45-R49 VanDerWaalsContact O-N 3.08Å
46C91.9Very high87.7Confident0 Ų067.6 Ų67.60%032%0.324CS..Hα-helixtrans-62.5-43.4173.8179.70000111.4T27 Y42 Q43 R49 F50 Q240 P241T27-C46 HydrophobicContact CG2-CB 3.75Å; T27-C46 VanDerWaalsContact CG2-SG 3.52Å; Y42-C46 PolarHBondContact O-N 2.9Å; Q43-C46 PolarHBondContact O-N 3.24Å; C46-R49 PolarHBondContact O-N 3.33Å; C46-F50 PolarHBondContact O-N 3.19Å; C46-F50 VanDerWaalsContact O-N 3.11Å; C46-Q240 PolarHBondContact SG-OE1 3.46Å; C46-Q240 VanDerWaalsContact SG-OE1 3.33Å; C46-P241 HydrophobicContact CB-CG 4.3Å
47K90.8Very high87.5Confident69 Ų6962.8 Ų62.830%0.332%0.32SS..Hα-helixtrans-61.3-54.2176.7-77.3178173.7-165.80110.8Q43 A44 R49 F50 F51 E53Q43-K47 WeakPolarHBondContact O-CB 3.37Å; Q43-K47 VanDerWaalsContact O-CG 3.28Å; Q43-K47 WeakPolarHBondContact O-CG 3.44Å; Q43-K47 PolarHBondContact O-N 3.14Å; A44-K47 PolarHBondContact O-N 3.28Å; K47-R49 PolarHBondContact O-N 3.1Å; K47-F50 PolarHBondContact O-N 3.02Å; K47-F51 CarbonylContact O-C 3.55Å; K47-F51 VanDerWaalsContact O-C 3.3Å; K47-F51 WeakPolarHBondContact O-CA 3.45Å; K47-F51 PolarHBondContact O-N 3.12Å; K47-E53 IonicContact NZ-OE1 3.39Å; K47-E53 PolarHBondContact NZ-OE1 3.12Å
48E90.6Very high87.7Confident95 Ų9555.1 Ų55.144%0.44430%0.296SS..Hα-helixtrans-53.1-40179-170.9-162.3149.500112.4M1 S2 A44M1-E48 PolarHBondContact N-OE1 2.83Å; S2-E48 PolarHBondContact OG-O 3.38Å; A44-E48 WeakPolarHBondContact O-CB 3.08Å; A44-E48 PolarHBondContact O-N 3.25Å
49R92.4Very high88.2Confident3 Ų352.7 Ų52.71%0.01129%0.286CS..Hα-helixtrans-70.9-47.5-176.7-172.6174.9-75.3-174.7-9.6113.2I3 S45 C46 K47 F239 R252 P255I3-R49 HydrophobicContact CD1-CG 3.81Å; I3-R49 HydrophobicContact CG1-CG 4.01Å; I3-R49 PolarHBondContact N-O 3.14Å; S45-R49 VanDerWaalsContact O-CB 3.27Å; S45-R49 WeakPolarHBondContact O-CB 3.13Å; S45-R49 PolarHBondContact O-N 2.89Å; S45-R49 VanDerWaalsContact O-N 3.08Å; C46-R49 PolarHBondContact O-N 3.33Å; K47-R49 PolarHBondContact O-N 3.1Å; R49-F239 PolarHBondContact NH1-O 3.44Å; R49-R252 PolarHBondContact NH2-O 2.85Å; R49-P255 HydrophobicContact CG-CG 4.26Å
50F95Very high88.5Confident2 Ų251.9 Ų51.91%0.00928%0.281CS..Hα-helixtrans-119-17.9-166.6-69.8-66.9000114.9I3 F20 L23 C46 K47 R62 F239I3-F50 HydrophobicContact CB-CE1 4.22Å; I3-F50 HydrophobicContact CD1-CE1 3.75Å; I3-F50 HydrophobicContact CD1-CZ 3.76Å; I3-F50 HydrophobicContact CG2-CE1 4.42Å; F20-F50 HydrophobicContact CE1-CB 4.02Å; F20-F50 HydrophobicContact CE1-CD1 4.37Å; F20-F50 WeakPolarHBondContact CE1-O 3.39Å; L23-F50 HydrophobicContact CD1-CD1 4.11Å; L23-F50 HydrophobicContact CD1-CD2 3.74Å; L23-F50 HydrophobicContact CD1-CE1 4.24Å; L23-F50 HydrophobicContact CD1-CE2 3.86Å; L23-F50 HydrophobicContact CD1-CG 3.87Å; L23-F50 HydrophobicContact CD1-CZ 4.12Å; L23-F50 HydrophobicContact CD2-CE2 4.34Å; C46-F50 PolarHBondContact O-N 3.19Å; C46-F50 VanDerWaalsContact O-N 3.11Å; K47-F50 PolarHBondContact O-N 3.02Å; F50-R62 WeakPolarHBondContact O-CB 3.41Å; F50-R62 PolarHBondContact O-N 3.38Å; F50-F239 HydrophobicContact CE2-CB 3.96Å; F50-F239 HydrophobicContact CZ-CB 3.71Å; F50-F239 HydrophobicContact CZ-CD1 4.26Å; F50-F239 AromaticContact CZ-CG 4Å; F50-F239 HydrophobicContact CZ-CG 4Å
51F94.8Very high88.9Confident5 Ų547.3 Ų47.32%0.02226%0.26CS..EExtended strand (participates in β ladder)trans-125.8162.7-174.1-58.7-86.6000111.4F20 L23 F24 K47 P59 V60 A61 R62 W86F20-F51 AromaticContact CD1-CE1 3.83Å; F20-F51 HydrophobicContact CD1-CE1 3.83Å; F20-F51 AromaticContact CD1-CZ 3.78Å; F20-F51 HydrophobicContact CD1-CZ 3.78Å; L23-F51 HydrophobicContact CB-CE2 4.48Å; F24-F51 HydrophobicContact CB-CZ 3.92Å; F24-F51 HydrophobicContact CD2-CZ 4.41Å; K47-F51 CarbonylContact O-C 3.55Å; K47-F51 VanDerWaalsContact O-C 3.3Å; K47-F51 WeakPolarHBondContact O-CA 3.45Å; K47-F51 PolarHBondContact O-N 3.12Å; F51-P59 HydrophobicContact CB-CB 4.13Å; F51-P59 HydrophobicContact CD1-CB 4.06Å; F51-P59 HydrophobicContact CG-CB 4.3Å; F51-V60 CarbonylContact C-O 3.51Å; F51-V60 VanDerWaalsContact CA-O 3.24Å; F51-V60 WeakPolarHBondContact CA-O 3.08Å; F51-A61 HydrophobicContact CD1-CB 4.42Å; F51-A61 HydrophobicContact CE1-CB 4.37Å; F51-R62 PolarHBondContact O-NE 3.36Å; F51-R62 PolarHBondContact O-NH2 2.95Å; F51-W86 HydrophobicContact CE1-CB 4.08Å; F51-W86 HydrophobicContact CE1-CD2 4.46Å; F51-W86 HydrophobicContact CE1-CG 4.25Å
52R91.9Very high89.2Confident37 Ų3746 Ų4614%0.1425%0.246CC..EExtended strand (participates in β ladder)trans-127.2148.3165.167.3178.3-166.9-122.71.5108.8E54 P59 V60 E126R52-E54 IonicContact CZ-OE1 2.84Å; R52-E54 IonicContact NE-OE1 3.19Å; R52-E54 PolarHBondContact NE-OE1 2.88Å; R52-E54 IonicContact NH2-OE1 3.03Å; R52-E54 PolarHBondContact NH2-OE1 3.2Å; R52-P59 WeakPolarHBondContact O-CA 3.31Å; R52-V60 HydrophobicContact CG-CB 3.72Å; R52-V60 HydrophobicContact CG-CG1 4.46Å; R52-V60 PolarHBondContact N-O 3.28Å; R52-V60 PolarHBondContact O-N 3.23Å; R52-E126 IonicContact CZ-OE1 3.09Å; R52-E126 IonicContact NH1-OE1 2.87Å; R52-E126 PolarHBondContact NH1-OE1 2.9Å; R52-E126 IonicContact NH1-OE2 3.39Å; R52-E126 PolarHBondContact NH1-OE2 2.99Å
53E86.4Confident89.6Confident134 Ų13446 Ų4663%0.62625%0.246SC*.  trans-90.6138.5174.2-64.7-170.1162.400109.6K47K47-E53 IonicContact NZ-OE1 3.39Å; K47-E53 PolarHBondContact NZ-OE1 3.12Å
54E81.7Confident90Very high67 Ų6743.7 Ų43.731%0.31324%0.235SC..  trans-117.4164.8171.5-76.7-176.7-175.800109.2R52 N56 G57 V60 K87R52-E54 IonicContact CZ-OE1 2.84Å; R52-E54 IonicContact NE-OE1 3.19Å; R52-E54 PolarHBondContact NE-OE1 2.88Å; R52-E54 IonicContact NH2-OE1 3.03Å; R52-E54 PolarHBondContact NH2-OE1 3.2Å; E54-N56 PolarHBondContact O-N 2.99Å; E54-G57 PolarHBondContact O-N 3.08Å; E54-V60 HydrophobicContact CB-CG2 4.39Å; E54-V60 VanDerWaalsContact CD-CG2 3.41Å; E54-V60 HydrophobicContact CG-CG2 3.78Å; E54-V60 WeakPolarHBondContact OE1-CG2 3.41Å; E54-K87 WeakPolarHBondContact OE2-CE 3.34Å; E54-K87 IonicContact OE2-NZ 2.77Å; E54-K87 PolarHBondContact OE2-NZ 2.86Å
55E72.3Confident90.4Very high210 Ų21041.1 Ų41.198%0.98121%0.214SC*.THydrogen-bonded Turntrans-54.7-26.1-174.6-62.9179.5171.200114.7G57E55-G57 VanDerWaalsContact C-N 3.26Å; E55-G57 PolarHBondContact O-N 3.48Å
56N71.6Confident90.7Very high95 Ų9540.4 Ų40.451%0.50821%0.209SC..THydrogen-bonded Turntrans-80.80.2178.75239.4000114.1E54 V58 K87E54-N56 PolarHBondContact O-N 2.99Å; N56-V58 PolarHBondContact O-N 2.81Å; N56-V58 PolarHBondContact OD1-N 3.39Å; N56-K87 PolarHBondContact ND2-NZ 3.4Å
57G82.1Confident90.9Very high62 Ų6240.6 Ų40.664%0.63921%0.21SC*.SBendtrans74.6-4.6177.500000115.5E54 E55 P59E54-G57 PolarHBondContact O-N 3.08Å; E55-G57 VanDerWaalsContact C-N 3.26Å; E55-G57 PolarHBondContact O-N 3.48Å; G57-P59 WeakPolarHBondContact O-CD 3.4Å
58V90.3Very high91Very high43 Ų4337.3 Ų37.326%0.26120%0.195SC..  trans-87.8118.4176.4-178.70000109.3N56 K87N56-V58 PolarHBondContact O-N 2.81Å; N56-V58 PolarHBondContact OD1-N 3.39Å; V58-K87 HydrophobicContact CG1-CB 4.48Å; V58-K87 HydrophobicContact CG1-CD 4.27Å; V58-K87 HydrophobicContact CG1-CG 4.14Å
59P93.3Very high91.1Very high11 Ų1137.3 Ų37.37%0.07120%0.195CC..  trans-62.5139.5-179.1-25.337.6000112.3F24 F51 R52 G57 W86 K87F24-P59 HydrophobicContact CE2-CG 4.03Å; F51-P59 HydrophobicContact CB-CB 4.13Å; F51-P59 HydrophobicContact CD1-CB 4.06Å; F51-P59 HydrophobicContact CG-CB 4.3Å; R52-P59 WeakPolarHBondContact O-CA 3.31Å; G57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-W86 WeakPolarHBondContact O-CA 3.4Å; P59-K87 PolarHBondContact O-N 3.24Å
60V95.2Very high91.1Very high0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-106.6125.9178.3-171.90000110.1F51 R52 E54 K87F51-V60 CarbonylContact C-O 3.51Å; F51-V60 VanDerWaalsContact CA-O 3.24Å; F51-V60 WeakPolarHBondContact CA-O 3.08Å; R52-V60 HydrophobicContact CG-CB 3.72Å; R52-V60 HydrophobicContact CG-CG1 4.46Å; R52-V60 PolarHBondContact N-O 3.28Å; R52-V60 PolarHBondContact O-N 3.23Å; E54-V60 HydrophobicContact CB-CG2 4.39Å; E54-V60 VanDerWaalsContact CD-CG2 3.41Å; E54-V60 HydrophobicContact CG-CG2 3.78Å; E54-V60 WeakPolarHBondContact OE1-CG2 3.41Å; V60-K87 CarbonylContact C-O 3.46Å; V60-K87 VanDerWaalsContact CA-O 3.29Å; V60-K87 WeakPolarHBondContact CA-O 3.48Å; V60-K87 HydrophobicContact CG2-CD 4.27Å; V60-K87 HydrophobicContact CG2-CG 3.89Å
61A96.4Very high91.1Very high0 Ų046.5 Ų46.50%024%0.241CC..EExtended strand (participates in β ladder)trans-66.3133.6177.800000111.2F20 F51 A63 W86 K87 Y88F20-A61 HydrophobicContact CD1-CB 3.64Å; F20-A61 HydrophobicContact CD2-CB 4.42Å; F20-A61 HydrophobicContact CE1-CB 3.62Å; F20-A61 HydrophobicContact CE2-CB 4.43Å; F20-A61 HydrophobicContact CG-CB 4.07Å; F20-A61 HydrophobicContact CZ-CB 4.05Å; F51-A61 HydrophobicContact CD1-CB 4.42Å; F51-A61 HydrophobicContact CE1-CB 4.37Å; A61-A63 HydrophobicContact CB-CB 4.39Å; A61-A63 PolarHBondContact O-N 3.4Å; A61-W86 HydrophobicContact CB-CE3 3.97Å; A61-W86 HydrophobicContact CB-CZ3 3.94Å; A61-K87 PolarHBondContact N-O 2.91Å; A61-Y88 HydrophobicContact CB-CD1 4.02Å; A61-Y88 HydrophobicContact CB-CE1 4.17Å
62R96.6Very high91Very high15 Ų1546.7 Ų46.76%0.05724%0.242CC..  trans-77.372.6170.4-63.4-179.7-173.1-86.4-0.3109.4I3 T5 F50 F51 K129 C130I3-R62 WeakPolarHBondContact O-CB 3.4Å; T5-R62 PolarHBondContact N-O 2.96Å; F50-R62 WeakPolarHBondContact O-CB 3.41Å; F50-R62 PolarHBondContact O-N 3.38Å; F51-R62 PolarHBondContact O-NE 3.36Å; F51-R62 PolarHBondContact O-NH2 2.95Å; R62-K129 PolarHBondContact NH1-O 2.8Å; R62-C130 PolarHBondContact NH1-SG 3.07Å
63A97.4Very high91Very high0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-140.7147.9-175.300000112.3T5 F20 A61 L65 Y88 A92T5-A63 CarbonylContact O-C 3.56Å; T5-A63 WeakPolarHBondContact O-CA 3.45Å; F20-A63 HydrophobicContact CE2-CB 3.59Å; F20-A63 HydrophobicContact CZ-CB 3.76Å; A61-A63 HydrophobicContact CB-CB 4.39Å; A61-A63 PolarHBondContact O-N 3.4Å; A63-L65 HydrophobicContact CB-CD1 4.48Å; A63-Y88 HydrophobicContact CB-CD1 4.08Å; A63-Y88 HydrophobicContact CB-CE1 3.84Å; A63-A92 WeakPolarHBondContact O-CB 3.4Å
64V98.1Very high91.4Very high0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-119.4125.5169.2-178.70000109T5 Q7 V66 A92 L122 I123 E126T5-V64 PolarHBondContact O-N 3.11Å; Q7-V64 PolarHBondContact N-O 2.89Å; V64-V66 HydrophobicContact CG1-CG2 4.06Å; V64-A92 CarbonylContact C-O 3.5Å; V64-A92 VanDerWaalsContact CA-O 3.32Å; V64-A92 WeakPolarHBondContact CA-O 3.41Å; V64-L122 HydrophobicContact CG1-CB 4.07Å; V64-I123 HydrophobicContact CB-CG1 4.33Å; V64-I123 HydrophobicContact CG1-CG1 4.26Å; V64-I123 HydrophobicContact CG2-CG1 4.18Å; V64-E126 HydrophobicContact CG2-CB 4.12Å; V64-E126 HydrophobicContact CG2-CG 4.49Å
65L98Very high92Very high0 Ų044.2 Ų44.20%024%0.235CC..EExtended strand (participates in β ladder)trans-100.4124.3-179.9-71.776.6000109.5Q7 N13 A63 I73 T76 Y88 A92 C93 F94Q7-L65 HydrophobicContact CB-CG 4.48Å; N13-L65 WeakPolarHBondContact OD1-CB 3.3Å; N13-L65 WeakPolarHBondContact OD1-CG 3.48Å; A63-L65 HydrophobicContact CB-CD1 4.48Å; L65-I73 HydrophobicContact CB-CG1 4.43Å; L65-T76 HydrophobicContact CD2-CG2 3.78Å; L65-Y88 HydrophobicContact CD1-CD1 3.48Å; L65-Y88 VanDerWaalsContact CD1-CD1 3.48Å; L65-Y88 HydrophobicContact CD1-CE1 3.53Å; L65-Y88 HydrophobicContact CD1-CG 4Å; L65-Y88 HydrophobicContact CD2-CE2 4.32Å; L65-Y88 HydrophobicContact CG-CE1 4.5Å; L65-A92 PolarHBondContact N-O 3.08Å; L65-C93 HydrophobicContact CB-CB 4.06Å; L65-C93 CarbonylContact O-C 3.53Å; L65-C93 WeakPolarHBondContact O-CA 3.39Å; L65-F94 PolarHBondContact O-N 3.31Å
66V97.1Very high93Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-127.2122.5-179.8-178.50000108.5Q7 L8 G9 N13 V64 M68 F94 I119 L150Q7-V66 PolarHBondContact O-N 2.7Å; L8-V66 HydrophobicContact CD2-CB 3.77Å; L8-V66 HydrophobicContact CD2-CG1 3.93Å; L8-V66 HydrophobicContact CD2-CG2 4.37Å; G9-V66 PolarHBondContact N-O 3.5Å; N13-V66 PolarHBondContact ND2-O 3.49Å; V64-V66 HydrophobicContact CG1-CG2 4.06Å; V66-M68 HydrophobicContact CG1-CE 4.15Å; V66-F94 HydrophobicContact CG1-CD1 4.19Å; V66-F94 HydrophobicContact CG2-CB 4.41Å; V66-I119 HydrophobicContact CG1-CD1 3.87Å; V66-I119 HydrophobicContact CG1-CG1 4.24Å; V66-I119 HydrophobicContact CG2-CG2 4.05Å; V66-L150 HydrophobicContact CG1-CD2 3.73Å
67D96Very high94Very high4 Ų432.3 Ų32.32%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-146.1155.5169.8-151.9-23.2000109Q10 I73 F94 C95Q10-D67 WeakPolarHBondContact CA-OD2 3.33Å; Q10-D67 PolarHBondContact N-OD2 3.38Å; Q10-D67 VanDerWaalsContact N-OD2 3.11Å; D67-I73 HydrophobicContact CB-CD1 3.53Å; D67-I73 HydrophobicContact CB-CG1 3.99Å; D67-F94 PolarHBondContact N-O 2.73Å; D67-F94 VanDerWaalsContact O-O 3.09Å; D67-C95 VanDerWaalsContact O-CA 3.24Å; D67-C95 WeakPolarHBondContact O-CA 3.5Å
68M94.3Very high94.5Very high0 Ų032 Ų320%017%0.167CC..SBendtrans-87.4-1.2174.8-67-55.295.200112V66 F94 Q96 Q98 H111 T146 L150V66-M68 HydrophobicContact CG1-CE 4.15Å; M68-F94 HydrophobicContact CE-CD1 3.67Å; M68-F94 HydrophobicContact CE-CE1 3.47Å; M68-F94 VanDerWaalsContact CE-CE1 3.47Å; M68-F94 HydrophobicContact SD-CE1 4.34Å; M68-Q96 CarbonylContact C-O 3.59Å; M68-Q96 CarbonylContact O-C 3.48Å; M68-Q96 HydrophobicContact SD-CB 4.29Å; M68-Q96 HydrophobicContact SD-CG 4.12Å; M68-Q98 WeakPolarHBondContact CB-O 3.48Å; M68-Q98 CarbonylContact O-C 3.55Å; M68-Q98 PolarHBondContact O-N 3.46Å; M68-H111 HydrophobicContact SD-CB 4.13Å; M68-T146 HydrophobicContact CB-CG2 4.26Å; M68-T146 HydrophobicContact CG-CG2 3.77Å; M68-L150 HydrophobicContact CE-CD2 3.27Å; M68-L150 HydrophobicContact CG-CD2 4.39Å; M68-L150 HydrophobicContact SD-CD2 4.13Å
69E92.4Very high94.5Very high95 Ų9534.8 Ų34.844%0.44418%0.175SC..SBendtrans-130.9139.8179.4-64.5179.577.700111.2K71E69-K71 PolarHBondContact O-N 2.87Å
70P92.9Very high94.3Very high51 Ų5134.3 Ų34.333%0.33117%0.172SC..Hα-helixtrans-81.6-17.7-170.533.1-34.5000113.2V72 I73 N74 C95 Q96P70-V72 PolarHBondContact O-N 3.31Å; P70-I73 PolarHBondContact O-N 3.39Å; P70-N74 WeakPolarHBondContact O-CB 3.45Å; P70-N74 VanDerWaalsContact O-CG 3.23Å; P70-N74 PolarHBondContact O-N 3.41Å; P70-N74 PolarHBondContact O-ND2 2.82Å; P70-C95 HydrophobicContact CB-CB 4.25Å; P70-Q96 WeakPolarHBondContact CD-O 3.42Å
71K93.5Very high93.9Very high147 Ų14736.6 Ų36.664%0.63920%0.195SC*.Hα-helixtrans-57.6-50.2-169.8-177.6-178.1177.1-1780112.1E69 Q75E69-K71 PolarHBondContact O-N 2.87Å; K71-Q75 WeakPolarHBondContact O-CB 3.34Å; K71-Q75 VanDerWaalsContact O-CG 3.23Å; K71-Q75 WeakPolarHBondContact O-CG 3.44Å; K71-Q75 PolarHBondContact O-N 3.21Å; K71-Q75 VanDerWaalsContact O-N 3.16Å
72V92.5Very high93.5Very high9 Ų944.1 Ų44.16%0.05523%0.23CC..Hα-helixtrans-71.4-43.7-175.5-178.60000110.3Q10 N13 Q14 P70 N74 Q75 T76Q10-V72 HydrophobicContact CB-CG2 4.01Å; Q10-V72 HydrophobicContact CG-CG2 3.71Å; N13-V72 HydrophobicContact CB-CG1 3.94Å; Q14-V72 HydrophobicContact CG-CG1 3.86Å; P70-V72 PolarHBondContact O-N 3.31Å; V72-N74 PolarHBondContact O-N 3.15Å; V72-Q75 PolarHBondContact O-N 2.88Å; V72-T76 WeakPolarHBondContact O-CB 3.49Å; V72-T76 PolarHBondContact O-N 3.49Å; V72-T76 PolarHBondContact O-OG1 3Å
73I93.9Very high92.9Very high0 Ų045.3 Ų45.30%024%0.241CC..Hα-helixtrans-58.5-51.1177.3-71.4171.5000110.7L65 D67 P70 Q75 T76 L77 C93 F94 C95L65-I73 HydrophobicContact CB-CG1 4.43Å; D67-I73 HydrophobicContact CB-CD1 3.53Å; D67-I73 HydrophobicContact CB-CG1 3.99Å; P70-I73 PolarHBondContact O-N 3.39Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 3.03Å; I73-T76 PolarHBondContact O-N 3.39Å; I73-T76 VanDerWaalsContact O-N 3.14Å; I73-L77 HydrophobicContact CG2-CD1 3.7Å; I73-L77 HydrophobicContact CG2-CG 4.13Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.14Å; I73-L77 PolarHBondContact O-N 3.28Å; I73-C93 HydrophobicContact CG2-CB 3.79Å; I73-F94 WeakPolarHBondContact CD1-O 3.4Å; I73-C95 HydrophobicContact CD1-CB 3.75Å
74N94.1Very high92.3Very high94 Ų9447.7 Ų47.750%0.50327%0.266SS..Hα-helixtrans-60.4-39.6-179.9-71.9-16.5000112.2P70 V72 S78P70-N74 WeakPolarHBondContact O-CB 3.45Å; P70-N74 VanDerWaalsContact O-CG 3.23Å; P70-N74 PolarHBondContact O-N 3.41Å; P70-N74 PolarHBondContact O-ND2 2.82Å; V72-N74 PolarHBondContact O-N 3.15Å; N74-S78 WeakPolarHBondContact O-CB 3.36Å; N74-S78 PolarHBondContact O-N 2.83Å
75Q93.6Very high91.9Very high92 Ų9252.1 Ų52.143%0.4328%0.282SS..Hα-helixtrans-64.4-45.3175.1-74.1176.3-2.300111.7K71 V72 I73 S78 K79K71-Q75 WeakPolarHBondContact O-CB 3.34Å; K71-Q75 VanDerWaalsContact O-CG 3.23Å; K71-Q75 WeakPolarHBondContact O-CG 3.44Å; K71-Q75 PolarHBondContact O-N 3.21Å; K71-Q75 VanDerWaalsContact O-N 3.16Å; V72-Q75 PolarHBondContact O-N 2.88Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 3.03Å; Q75-S78 PolarHBondContact O-N 3.13Å; Q75-K79 WeakPolarHBondContact O-CB 3.25Å; Q75-K79 VanDerWaalsContact O-CG 3.23Å; Q75-K79 WeakPolarHBondContact O-CG 3.47Å; Q75-K79 PolarHBondContact O-N 3.32Å
76T93.2Very high91.7Very high4 Ų452.1 Ų52.13%0.02528%0.282CS..Hα-helixtrans-65.1-44.9179.6-68.30000112.2F17 L65 V72 I73 K79 A80 Y88F17-T76 HydrophobicContact CB-CG2 3.81Å; F17-T76 HydrophobicContact CD2-CG2 4.11Å; F17-T76 HydrophobicContact CG-CG2 4.27Å; L65-T76 HydrophobicContact CD2-CG2 3.78Å; V72-T76 WeakPolarHBondContact O-CB 3.49Å; V72-T76 PolarHBondContact O-N 3.49Å; V72-T76 PolarHBondContact O-OG1 3Å; I73-T76 PolarHBondContact O-N 3.39Å; I73-T76 VanDerWaalsContact O-N 3.14Å; T76-K79 PolarHBondContact O-N 2.83Å; T76-A80 PolarHBondContact O-N 3.37Å; T76-Y88 HydrophobicContact CG2-CD2 4.43Å; T76-Y88 HydrophobicContact CG2-CE2 3.49Å; T76-Y88 VanDerWaalsContact CG2-CE2 3.49Å
77L92.9Very high91.6Very high51 Ų5154.2 Ų54.227%0.26729%0.291SS..Hα-helixtrans-61.9-45.5176.2-68.5176.4000111.6I73 A80 G81 Y88I73-L77 HydrophobicContact CG2-CD1 3.7Å; I73-L77 HydrophobicContact CG2-CG 4.13Å; I73-L77 WeakPolarHBondContact O-CB 3.38Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.14Å; I73-L77 PolarHBondContact O-N 3.28Å; L77-A80 PolarHBondContact O-N 2.9Å; L77-G81 PolarHBondContact O-N 3.23Å; L77-Y88 HydrophobicContact CD2-CD2 3.8Å; L77-Y88 HydrophobicContact CD2-CG 4Å
78S92Very high91.5Very high57 Ų5754.7 Ų54.740%0.39929%0.293SS..Hα-helixtrans-62.6-45.8178.2-177.20000111.7N74 Q75 A80 G81 Q82N74-S78 WeakPolarHBondContact O-CB 3.36Å; N74-S78 PolarHBondContact O-N 2.83Å; Q75-S78 PolarHBondContact O-N 3.13Å; S78-A80 PolarHBondContact O-N 2.99Å; S78-G81 PolarHBondContact O-N 2.88Å; S78-Q82 WeakPolarHBondContact O-CB 3.26Å; S78-Q82 VanDerWaalsContact O-CG 3.24Å; S78-Q82 WeakPolarHBondContact O-CG 3.13Å; S78-Q82 PolarHBondContact O-N 3.02Å; S78-Q82 PolarHBondContact OG-NE2 3.09Å
79K91.5Very high91.4Very high101 Ų10155 Ų5544%0.43930%0.296SS..Hα-helixtrans-59.2-46176.7-76.9174.6179.6-177.80112.5F17 Q75 T76 S83F17-K79 HydrophobicContact CE1-CB 4.49Å; F17-K79 HydrophobicContact CE1-CD 4.45Å; F17-K79 HydrophobicContact CE2-CB 3.85Å; F17-K79 HydrophobicContact CZ-CB 3.82Å; Q75-K79 WeakPolarHBondContact O-CB 3.25Å; Q75-K79 VanDerWaalsContact O-CG 3.23Å; Q75-K79 WeakPolarHBondContact O-CG 3.47Å; Q75-K79 PolarHBondContact O-N 3.32Å; T76-K79 PolarHBondContact O-N 2.83Å; K79-S83 PolarHBondContact O-N 2.92Å
80A89.6Confident90.9Very high1 Ų158.4 Ų58.41%0.00831%0.312CS..Hα-helixtrans-61.9-50.3177.800000110.8F17 T76 L77 S78 Q82 S83 W86 Y88F17-A80 HydrophobicContact CD2-CB 4.32Å; F17-A80 HydrophobicContact CE2-CB 3.97Å; T76-A80 PolarHBondContact O-N 3.37Å; L77-A80 PolarHBondContact O-N 2.9Å; S78-A80 PolarHBondContact O-N 2.99Å; A80-Q82 PolarHBondContact O-N 3.32Å; A80-S83 WeakPolarHBondContact O-CB 3.28Å; A80-S83 PolarHBondContact O-N 3.01Å; A80-S83 PolarHBondContact O-OG 3.21Å; A80-W86 HydrophobicContact CB-CE3 4.37Å; A80-W86 HydrophobicContact CB-CH2 3.96Å; A80-W86 HydrophobicContact CB-CZ2 4.29Å; A80-W86 HydrophobicContact CB-CZ3 3.99Å; A80-W86 VanDerWaalsContact O-O 3.12Å; A80-Y88 HydrophobicContact CB-CD2 3.86Å; A80-Y88 HydrophobicContact CB-CE2 3.99Å
81G86.8Confident90.6Very high47 Ų4763.1 Ų63.149%0.48533%0.33SS..Hα-helixtrans-61.3-43.6179.800000113.9L77 S78 S83 G84L77-G81 PolarHBondContact O-N 3.23Å; S78-G81 PolarHBondContact O-N 2.88Å; G81-S83 VanDerWaalsContact C-N 3.26Å; G81-S83 PolarHBondContact O-N 3.18Å; G81-G84 PolarHBondContact O-N 2.99Å
82Q87.7Confident90.4Very high158 Ų15856.3 Ų56.374%0.73830%0.3SS*.Hα-helixtrans-64.6-30.4178.2-75176.33.100112.9S78 A80 G84S78-Q82 WeakPolarHBondContact O-CB 3.26Å; S78-Q82 VanDerWaalsContact O-CG 3.24Å; S78-Q82 WeakPolarHBondContact O-CG 3.13Å; S78-Q82 PolarHBondContact O-N 3.02Å; S78-Q82 PolarHBondContact OG-NE2 3.09Å; A80-Q82 PolarHBondContact O-N 3.32Å; Q82-G84 PolarHBondContact O-N 3.18Å
83S84.2Confident90.5Very high40 Ų4057.8 Ų57.828%0.2831%0.311SS..Hα-helixtrans-66.6-26.1178.282.60000112.8K79 A80 G81 R85K79-S83 PolarHBondContact O-N 2.92Å; A80-S83 WeakPolarHBondContact O-CB 3.28Å; A80-S83 PolarHBondContact O-N 3.01Å; A80-S83 PolarHBondContact O-OG 3.21Å; G81-S83 VanDerWaalsContact C-N 3.26Å; G81-S83 PolarHBondContact O-N 3.18Å; S83-R85 PolarHBondContact O-N 2.88Å; S83-R85 PolarHBondContact OG-N 2.76Å
84G84Confident90.5Very high50 Ų5058.6 Ų58.652%0.51531%0.314SS..  trans63.9-1.7-176.400000115.3G81 Q82G81-G84 PolarHBondContact O-N 2.99Å; Q82-G84 PolarHBondContact O-N 3.18Å
85R89.4Confident90.5Very high93 Ų9356.6 Ų56.635%0.35131%0.307SS..SBendtrans-80.9-42.9-174-75.5-176.5-70.9156.10.9112.3D21 F24 S83D21-R85 IonicContact OD1-CZ 3.85Å; D21-R85 IonicContact OD1-NE 2.83Å; D21-R85 IonicContact OD1-NH1 3.64Å; D21-R85 PolarHBondContact OD1-NH1 3.3Å; D21-R85 IonicContact OD1-NH2 3.47Å; D21-R85 PolarHBondContact OD1-NH2 3.08Å; D21-R85 IonicContact OD2-CZ 3.88Å; D21-R85 IonicContact OD2-NH1 2.75Å; D21-R85 PolarHBondContact OD2-NH1 3.38Å; D21-R85 IonicContact OD2-NH2 3.01Å; D21-R85 PolarHBondContact OD2-NH2 3.29Å; F24-R85 HydrophobicContact CD1-CB 3.86Å; F24-R85 HydrophobicContact CD1-CG 4.47Å; F24-R85 HydrophobicContact CE1-CB 3.56Å; F24-R85 HydrophobicContact CE1-CG 4.01Å; F24-R85 WeakPolarHBondContact CE2-O 3.49Å; F24-R85 HydrophobicContact CZ-CB 4.28Å; F24-R85 VanDerWaalsContact CZ-O 3.23Å; F24-R85 WeakPolarHBondContact CZ-O 3.38Å; S83-R85 PolarHBondContact O-N 2.88Å; S83-R85 PolarHBondContact OG-N 2.76Å
86W93.9Very high90.4Very high0 Ų055.4 Ų55.40%030%0.301CS..  trans-156.1163.9177.462.6-88.2000108.2F17 F20 D21 F24 F51 P59 A61 A80 Y88F17-W86 AromaticContact CD2-CH2 3.76Å; F17-W86 HydrophobicContact CD2-CH2 3.76Å; F17-W86 AromaticContact CD2-CZ2 3.7Å; F17-W86 HydrophobicContact CD2-CZ2 3.7Å; F17-W86 HydrophobicContact CE2-CH2 4.15Å; F17-W86 AromaticContact CE2-CZ2 3.72Å; F17-W86 HydrophobicContact CE2-CZ2 3.72Å; F20-W86 HydrophobicContact CB-CD2 4.47Å; F20-W86 HydrophobicContact CB-CE3 4.4Å; F20-W86 HydrophobicContact CB-CH2 3.59Å; F20-W86 HydrophobicContact CB-CZ2 3.67Å; F20-W86 HydrophobicContact CB-CZ3 3.98Å; F20-W86 HydrophobicContact CG-CH2 4.42Å; F20-W86 HydrophobicContact CG-CZ3 4.47Å; D21-W86 HydrophobicContact CB-CZ2 4.34Å; D21-W86 PolarHBondContact OD1-NE1 3.49Å; F24-W86 HydrophobicContact CB-CG 4.49Å; F24-W86 HydrophobicContact CD2-CB 4.29Å; F24-W86 HydrophobicContact CG-CB 4.47Å; F24-W86 AromaticContact CG-CD1 3.88Å; F24-W86 HydrophobicContact CG-CG 4.47Å; F51-W86 HydrophobicContact CE1-CB 4.08Å; F51-W86 HydrophobicContact CE1-CD2 4.46Å; F51-W86 HydrophobicContact CE1-CG 4.25Å; P59-W86 WeakPolarHBondContact O-CA 3.4Å; A61-W86 HydrophobicContact CB-CE3 3.97Å; A61-W86 HydrophobicContact CB-CZ3 3.94Å; A80-W86 HydrophobicContact CB-CE3 4.37Å; A80-W86 HydrophobicContact CB-CH2 3.96Å; A80-W86 HydrophobicContact CB-CZ2 4.29Å; A80-W86 HydrophobicContact CB-CZ3 3.99Å; A80-W86 VanDerWaalsContact O-O 3.12Å; W86-Y88 HydrophobicContact CH2-CD2 4.24Å; W86-Y88 HydrophobicContact CH2-CE1 4.14Å; W86-Y88 AromaticContact CH2-CE2 3.5Å; W86-Y88 HydrophobicContact CH2-CE2 3.5Å; W86-Y88 VanDerWaalsContact CH2-CE2 3.5Å; W86-Y88 AromaticContact CH2-CZ 3.48Å; W86-Y88 VanDerWaalsContact CH2-CZ 3.48Å; W86-Y88 HydrophobicContact CZ3-CD1 4.07Å; W86-Y88 AromaticContact CZ3-CD2 3.81Å; W86-Y88 HydrophobicContact CZ3-CD2 3.81Å; W86-Y88 AromaticContact CZ3-CE1 3.77Å; W86-Y88 HydrophobicContact CZ3-CE1 3.77Å; W86-Y88 AromaticContact CZ3-CE2 3.51Å; W86-Y88 HydrophobicContact CZ3-CE2 3.51Å; W86-Y88 HydrophobicContact CZ3-CG 4.12Å; W86-Y88 AromaticContact CZ3-CZ 3.53Å
87K94.8Very high90.1Very high44 Ų4466.7 Ų66.719%0.19134%0.343CS..EExtended strand (participates in β ladder)trans-139163.3179.466-176.5-177176.10112.2E54 N56 V58 P59 V60 A61E54-K87 WeakPolarHBondContact OE2-CE 3.34Å; E54-K87 IonicContact OE2-NZ 2.77Å; E54-K87 PolarHBondContact OE2-NZ 2.86Å; N56-K87 PolarHBondContact ND2-NZ 3.4Å; V58-K87 HydrophobicContact CG1-CB 4.48Å; V58-K87 HydrophobicContact CG1-CD 4.27Å; V58-K87 HydrophobicContact CG1-CG 4.14Å; P59-K87 PolarHBondContact O-N 3.24Å; V60-K87 CarbonylContact C-O 3.46Å; V60-K87 VanDerWaalsContact CA-O 3.29Å; V60-K87 WeakPolarHBondContact CA-O 3.48Å; V60-K87 HydrophobicContact CG2-CD 4.27Å; V60-K87 HydrophobicContact CG2-CG 3.89Å; A61-K87 PolarHBondContact N-O 2.91Å
88Y95.2Very high89.8Confident14 Ų1470.1 Ų70.16%0.05536%0.358CS..EExtended strand (participates in β ladder)trans-84.3159.1165.5-69.2-72.7000110.8Q7 F17 F20 A61 A63 L65 T76 L77 A80 W86Q7-Y88 PolarHBondContact NE2-OH 3Å; Q7-Y88 PolarHBondContact OE1-OH 2.91Å; F17-Y88 WeakPolarHBondContact CA-OH 3.48Å; F17-Y88 HydrophobicContact CD2-CE2 4.44Å; F17-Y88 PolarHBondContact N-OH 3.3Å; F20-Y88 HydrophobicContact CD2-CE1 4.43Å; A61-Y88 HydrophobicContact CB-CD1 4.02Å; A61-Y88 HydrophobicContact CB-CE1 4.17Å; A63-Y88 HydrophobicContact CB-CD1 4.08Å; A63-Y88 HydrophobicContact CB-CE1 3.84Å; L65-Y88 HydrophobicContact CD1-CD1 3.48Å; L65-Y88 VanDerWaalsContact CD1-CD1 3.48Å; L65-Y88 HydrophobicContact CD1-CE1 3.53Å; L65-Y88 HydrophobicContact CD1-CG 4Å; L65-Y88 HydrophobicContact CD2-CE2 4.32Å; L65-Y88 HydrophobicContact CG-CE1 4.5Å; T76-Y88 HydrophobicContact CG2-CD2 4.43Å; T76-Y88 HydrophobicContact CG2-CE2 3.49Å; T76-Y88 VanDerWaalsContact CG2-CE2 3.49Å; L77-Y88 HydrophobicContact CD2-CD2 3.8Å; L77-Y88 HydrophobicContact CD2-CG 4Å; A80-Y88 HydrophobicContact CB-CD2 3.86Å; A80-Y88 HydrophobicContact CB-CE2 3.99Å; W86-Y88 HydrophobicContact CH2-CD2 4.24Å; W86-Y88 HydrophobicContact CH2-CE1 4.14Å; W86-Y88 AromaticContact CH2-CE2 3.5Å; W86-Y88 HydrophobicContact CH2-CE2 3.5Å; W86-Y88 VanDerWaalsContact CH2-CE2 3.5Å; W86-Y88 AromaticContact CH2-CZ 3.48Å; W86-Y88 VanDerWaalsContact CH2-CZ 3.48Å; W86-Y88 HydrophobicContact CZ3-CD1 4.07Å; W86-Y88 AromaticContact CZ3-CD2 3.81Å; W86-Y88 HydrophobicContact CZ3-CD2 3.81Å; W86-Y88 AromaticContact CZ3-CE1 3.77Å; W86-Y88 HydrophobicContact CZ3-CE1 3.77Å; W86-Y88 AromaticContact CZ3-CE2 3.51Å; W86-Y88 HydrophobicContact CZ3-CE2 3.51Å; W86-Y88 HydrophobicContact CZ3-CG 4.12Å; W86-Y88 AromaticContact CZ3-CZ 3.53Å
89G90.7Very high89.5Confident6 Ų668.2 Ų68.26%0.06235%0.347CS..  trans-65.1145.4174.400000112.2H91 A92G89-H91 PolarHBondContact O-N 3.41Å; G89-H91 VanDerWaalsContact O-N 3.14Å; G89-A92 VanDerWaalsContact O-CB 3.25Å; G89-A92 WeakPolarHBondContact O-CB 3.34Å; G89-A92 PolarHBondContact O-N 2.94Å; G89-A92 VanDerWaalsContact O-N 3.11Å
90Q83.1Confident89.2Confident167 Ų16763.5 Ų63.578%0.7833%0.327SS*.THydrogen-bonded Turntrans-57-31.5-177.7-70.3179.3-3.700113.7
91H85.6Confident89.1Confident151 Ų15166.9 Ų66.970%0.69936%0.362SS*.THydrogen-bonded Turntrans-119.940.7178.6-56.6-53.8000111G89 L122G89-H91 PolarHBondContact O-N 3.41Å; G89-H91 VanDerWaalsContact O-N 3.14Å; H91-L122 WeakPolarHBondContact O-CD2 3.35Å
92A89.3Confident89.3Confident3 Ų368.2 Ų68.23%0.02536%0.358CS..  trans-104.414.4-177.400000113A63 V64 L65 G89A63-A92 WeakPolarHBondContact O-CB 3.4Å; V64-A92 CarbonylContact C-O 3.5Å; V64-A92 VanDerWaalsContact CA-O 3.32Å; V64-A92 WeakPolarHBondContact CA-O 3.41Å; L65-A92 PolarHBondContact N-O 3.08Å; G89-A92 VanDerWaalsContact O-CB 3.25Å; G89-A92 WeakPolarHBondContact O-CB 3.34Å; G89-A92 PolarHBondContact O-N 2.94Å; G89-A92 VanDerWaalsContact O-N 3.11Å
93C94.7Very high89.6Confident40 Ų4061.2 Ų61.227%0.2733%0.326SS..EExtended strand (participates in β ladder)trans-132145.6-179.367.60000113L65 I73L65-C93 HydrophobicContact CB-CB 4.06Å; L65-C93 CarbonylContact O-C 3.53Å; L65-C93 WeakPolarHBondContact O-CA 3.39Å; I73-C93 HydrophobicContact CG2-CB 3.79Å
94F95.1Very high90.2Very high18 Ų1859.3 Ų59.38%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-122125.2170.6-176.7-97000109.5L65 V66 D67 M68 I73 Q96 H115 I119 L122L65-F94 PolarHBondContact O-N 3.31Å; V66-F94 HydrophobicContact CG1-CD1 4.19Å; V66-F94 HydrophobicContact CG2-CB 4.41Å; D67-F94 PolarHBondContact N-O 2.73Å; D67-F94 VanDerWaalsContact O-O 3.09Å; M68-F94 HydrophobicContact CE-CD1 3.67Å; M68-F94 HydrophobicContact CE-CE1 3.47Å; M68-F94 VanDerWaalsContact CE-CE1 3.47Å; M68-F94 HydrophobicContact SD-CE1 4.34Å; I73-F94 WeakPolarHBondContact CD1-O 3.4Å; F94-Q96 HydrophobicContact CE1-CG 3.74Å; F94-Q96 HydrophobicContact CZ-CG 3.84Å; F94-H115 HydrophobicContact CE1-CB 3.93Å; F94-H115 AromaticContact CE1-CG 3.96Å; F94-H115 HydrophobicContact CZ-CB 3.62Å; F94-H115 AromaticContact CZ-CG 3.55Å; F94-H115 AromaticContact CZ-ND1 3.63Å; F94-I119 HydrophobicContact CB-CG1 4.44Å; F94-I119 HydrophobicContact CD1-CD1 4.16Å; F94-I119 HydrophobicContact CD1-CG1 3.92Å; F94-I119 HydrophobicContact CD2-CG1 4.41Å; F94-I119 HydrophobicContact CE1-CD1 4.24Å; F94-I119 HydrophobicContact CE1-CG1 4.24Å; F94-I119 HydrophobicContact CG-CG1 4Å; F94-L122 HydrophobicContact CB-CD1 3.72Å; F94-L122 HydrophobicContact CD2-CD1 4.36Å; F94-L122 HydrophobicContact CG-CD1 4.5Å
95C93.5Very high90.8Very high51 Ų5156.9 Ų56.935%0.34529%0.288SS..EExtended strand (participates in β ladder)trans-136.3148.117465.60000112.4D67 P70 I73D67-C95 VanDerWaalsContact O-CA 3.24Å; D67-C95 WeakPolarHBondContact O-CA 3.5Å; P70-C95 HydrophobicContact CB-CB 4.25Å; I73-C95 HydrophobicContact CD1-CB 3.75Å
96Q91.6Very high91.1Very high67 Ų6754.3 Ų54.331%0.31328%0.279SS..  trans-118.6-179.9170.8-69.6-62.1-29.700110.8M68 P70 F94M68-Q96 CarbonylContact C-O 3.59Å; M68-Q96 CarbonylContact O-C 3.48Å; M68-Q96 HydrophobicContact SD-CB 4.29Å; M68-Q96 HydrophobicContact SD-CG 4.12Å; P70-Q96 WeakPolarHBondContact CD-O 3.42Å; F94-Q96 HydrophobicContact CE1-CG 3.74Å; F94-Q96 HydrophobicContact CZ-CG 3.84Å
97R86.4Confident91.2Very high241 Ų24154.3 Ų54.391%0.90928%0.279SS*.SBendtrans-95.1-13.7177.4-65.8-176-178.4175.31113.7
98Q86.6Confident91.2Very high123 Ų12354.1 Ų54.158%0.57528%0.277SS*.SBendtrans-126.7114.8-173.1-174.5176.819.400109.7M68M68-Q98 WeakPolarHBondContact CB-O 3.48Å; M68-Q98 CarbonylContact O-C 3.55Å; M68-Q98 PolarHBondContact O-N 3.46Å
99G85.7Confident91.3Very high17 Ų1755.6 Ų55.618%0.17529%0.289CS..  trans-72.4168.7177.700000114.1G101G99-G101 VanDerWaalsContact C-N 3.25Å; G99-G101 PolarHBondContact O-N 2.99Å
100S85.5Confident91.5Very high3 Ų357.6 Ų57.62%0.02130%0.3CS..  trans-80.61.8-178.4-49.40000114.4N102 N103 H111 T146S100-N102 VanDerWaalsContact C-N 3.29Å; S100-N102 PolarHBondContact O-N 3.13Å; S100-N102 VanDerWaalsContact O-N 3.17Å; S100-N103 PolarHBondContact O-N 2.82Å; S100-H111 PolarHBondContact OG-CD2 3.14Å; S100-T146 PolarHBondContact OG-N 3.32Å; S100-T146 PolarHBondContact OG-OG1 3.18Å
101G87.4Confident92Very high72 Ų7249.9 Ų49.974%0.74226%0.264SS*.THydrogen-bonded Turntrans57.832.4174.100000115.7G99 N103G99-G101 VanDerWaalsContact C-N 3.25Å; G99-G101 PolarHBondContact O-N 2.99Å; G101-N103 PolarHBondContact O-N 3.33Å
102N90.7Very high92.5Very high74 Ų7442.7 Ų42.740%0.39623%0.231SC..THydrogen-bonded Turntrans56.423.6-172.7-61.7-34.4000115.3S100 V180 V182 N186S100-N102 VanDerWaalsContact C-N 3.29Å; S100-N102 PolarHBondContact O-N 3.13Å; S100-N102 VanDerWaalsContact O-N 3.17Å; N102-V180 HydrophobicContact CB-CG1 3.89Å; N102-V182 WeakPolarHBondContact O-CG2 3.43Å; N102-N186 PolarHBondContact O-ND2 3.36Å
103N94.3Very high92.8Very high11 Ų1145.9 Ų45.96%0.05925%0.251CS..  trans-107.7116.4177.1-172.4-46.2000110S100 G101 A105 Y106 G107 Q425S100-N103 PolarHBondContact O-N 2.82Å; G101-N103 PolarHBondContact O-N 3.33Å; N103-A105 WeakPolarHBondContact OD1-CB 3.46Å; N103-A105 PolarHBondContact OD1-N 3.07Å; N103-Y106 PolarHBondContact OD1-N 2.95Å; N103-Y106 VanDerWaalsContact OD1-N 3.1Å; N103-G107 PolarHBondContact O-N 2.86Å; N103-Q425 PolarHBondContact ND2-O 3.31Å
104W96.4Very high92.9Very high0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-62.1-44.8179-175.4101.4000112.2Y106 G107 Y108 S148 G149 A152 N186 L189 T190 H193 Y426 M431W104-Y106 VanDerWaalsContact C-N 3.31Å; W104-Y106 PolarHBondContact O-N 2.85Å; W104-G107 PolarHBondContact O-N 2.92Å; W104-G107 VanDerWaalsContact O-N 3.11Å; W104-Y108 HydrophobicContact CE3-CG 4.45Å; W104-Y108 AromaticContact CH2-CD1 3.72Å; W104-Y108 HydrophobicContact CH2-CD1 3.72Å; W104-Y108 AromaticContact CH2-CD2 3.55Å; W104-Y108 HydrophobicContact CH2-CD2 3.55Å; W104-Y108 HydrophobicContact CH2-CE1 4.18Å; W104-Y108 HydrophobicContact CH2-CE2 4.04Å; W104-Y108 AromaticContact CH2-CG 3.38Å; W104-Y108 HydrophobicContact CH2-CG 3.38Å; W104-Y108 AromaticContact CZ2-CD2 3.68Å; W104-Y108 HydrophobicContact CZ2-CD2 3.68Å; W104-Y108 HydrophobicContact CZ2-CE2 4.26Å; W104-Y108 AromaticContact CZ2-CG 3.89Å; W104-Y108 HydrophobicContact CZ2-CG 3.89Å; W104-Y108 AromaticContact CZ3-CD1 3.89Å; W104-Y108 HydrophobicContact CZ3-CD1 3.89Å; W104-Y108 HydrophobicContact CZ3-CD2 4.32Å; W104-Y108 AromaticContact CZ3-CG 3.7Å; W104-Y108 HydrophobicContact CZ3-CG 3.7Å; W104-Y108 WeakPolarHBondContact O-CB 3.33Å; W104-Y108 PolarHBondContact O-N 2.81Å; W104-S148 VanDerWaalsContact CD1-OG 3.26Å; W104-G149 VanDerWaalsContact CD1-CA 3.47Å; W104-A152 HydrophobicContact CZ2-CB 4.03Å; W104-N186 HydrophobicContact CB-CB 4.23Å; W104-N186 VanDerWaalsContact CB-OD1 3.25Å; W104-N186 WeakPolarHBondContact CB-OD1 3.17Å; W104-N186 PolarHBondContact N-OD1 2.89Å; W104-L189 HydrophobicContact CB-CD1 4.32Å; W104-L189 HydrophobicContact CD2-CB 3.68Å; W104-L189 HydrophobicContact CD2-CD1 3.92Å; W104-L189 HydrophobicContact CD2-CG 4.43Å; W104-L189 HydrophobicContact CE3-CB 4.04Å; W104-L189 HydrophobicContact CE3-CD1 3.71Å; W104-L189 HydrophobicContact CE3-CG 4.4Å; W104-L189 HydrophobicContact CG-CB 4.07Å; W104-L189 HydrophobicContact CG-CD1 4.19Å; W104-L189 HydrophobicContact CH2-CB 4.38Å; W104-L189 HydrophobicContact CZ2-CB 4.02Å; W104-L189 HydrophobicContact CZ3-CB 4.39Å; W104-L189 HydrophobicContact CZ3-CD1 4.39Å; W104-T190 PolarHBondContact NE1-OG1 2.91Å; W104-H193 AromaticContact CH2-CE1 3.42Å; W104-H193 VanDerWaalsContact CH2-CE1 3.42Å; W104-H193 WeakPolarHBondContact CH2-CE1 2.95Å; W104-H193 AromaticContact CH2-ND1 3.75Å; W104-H193 AromaticContact CH2-NE2 3.61Å; W104-H193 HydrophobicContact CZ2-CB 4.5Å; W104-H193 AromaticContact CZ2-CE1 3.81Å; W104-H193 AromaticContact CZ2-CG 3.85Å; W104-H193 AromaticContact CZ2-ND1 3.62Å; W104-Y426 HydrophobicContact CB-CE1 4.02Å; W104-M431 HydrophobicContact CE3-CE 4.5Å; W104-M431 HydrophobicContact CE3-SD 3.84Å; W104-M431 HydrophobicContact CZ3-CE 4.49Å; W104-M431 HydrophobicContact CZ3-SD 3.43Å; W104-M431 WeakPolarHBondContact CZ3-SD 3.35Å
105A96.3Very high92.9Very high0 Ų050.8 Ų50.80%027%0.268CS..Hα-helixtrans-62-39-178.500000112.1N103 Y108 S109 Y426 F429 M431N103-A105 WeakPolarHBondContact OD1-CB 3.46Å; N103-A105 PolarHBondContact OD1-N 3.07Å; A105-Y108 PolarHBondContact O-N 3.35Å; A105-S109 VanDerWaalsContact O-CB 3.27Å; A105-S109 WeakPolarHBondContact O-CB 3.5Å; A105-S109 PolarHBondContact O-N 3.1Å; A105-S109 PolarHBondContact O-OG 3.3Å; A105-Y426 HydrophobicContact CB-CD1 3.81Å; A105-Y426 HydrophobicContact CB-CG 4.35Å; A105-F429 HydrophobicContact CB-CB 3.96Å; A105-M431 HydrophobicContact CB-CG 3.68Å; A105-M431 HydrophobicContact CB-SD 4.34Å
106Y95.8Very high93.1Very high39 Ų3950.8 Ų50.815%0.15326%0.263CS..Iπ-helixtrans-66.7-40.2175.9-169.6-126.3000112N103 W104 V110 H111 F429N103-Y106 PolarHBondContact OD1-N 2.95Å; N103-Y106 VanDerWaalsContact OD1-N 3.1Å; W104-Y106 VanDerWaalsContact C-N 3.31Å; W104-Y106 PolarHBondContact O-N 2.85Å; Y106-V110 HydrophobicContact CD2-CB 3.68Å; Y106-V110 HydrophobicContact CD2-CG1 4.14Å; Y106-V110 HydrophobicContact CD2-CG2 3.66Å; Y106-V110 HydrophobicContact CE2-CB 3.77Å; Y106-V110 HydrophobicContact CE2-CG1 3.68Å; Y106-V110 HydrophobicContact CE2-CG2 3.99Å; Y106-V110 WeakPolarHBondContact O-CB 3.47Å; Y106-V110 PolarHBondContact O-N 3.34Å; Y106-H111 AromaticContact CD1-CD2 3.72Å; Y106-H111 AromaticContact CD1-NE2 3.65Å; Y106-H111 AromaticContact CE1-CD2 3.58Å; Y106-H111 AromaticContact CE1-CE1 3.98Å; Y106-H111 AromaticContact CE1-NE2 3.04Å; Y106-H111 WeakPolarHBondContact CE1-NE2 3.11Å; Y106-H111 AromaticContact CZ-NE2 3.61Å; Y106-H111 PolarHBondContact O-N 3.33Å; Y106-F429 AromaticContact CD2-CD1 3.41Å; Y106-F429 HydrophobicContact CD2-CD1 3.41Å; Y106-F429 VanDerWaalsContact CD2-CD1 3.41Å; Y106-F429 HydrophobicContact CD2-CD2 4.36Å; Y106-F429 AromaticContact CD2-CE1 3.22Å; Y106-F429 HydrophobicContact CD2-CE1 3.22Å; Y106-F429 HydrophobicContact CD2-CE2 4.23Å; Y106-F429 AromaticContact CD2-CG 3.98Å; Y106-F429 HydrophobicContact CD2-CG 3.98Å; Y106-F429 AromaticContact CD2-CZ 3.68Å; Y106-F429 HydrophobicContact CD2-CZ 3.68Å; Y106-F429 HydrophobicContact CE2-CD1 4.13Å; Y106-F429 AromaticContact CE2-CE1 3.68Å; Y106-F429 HydrophobicContact CE2-CE1 3.68Å; Y106-F429 HydrophobicContact CE2-CZ 4.29Å; Y106-F429 HydrophobicContact CG-CD1 4.25Å; Y106-F429 HydrophobicContact CG-CD2 4.45Å; Y106-F429 AromaticContact CG-CE1 4Å; Y106-F429 HydrophobicContact CG-CE1 4Å; Y106-F429 HydrophobicContact CG-CE2 4.23Å; Y106-F429 HydrophobicContact CG-CG 4.46Å; Y106-F429 AromaticContact CG-CZ 3.98Å; Y106-F429 HydrophobicContact CG-CZ 3.98Å
107G95.9Very high93.3Very high0 Ų054.6 Ų54.60%028%0.281CS..Iπ-helixtrans-62-46.917400000112.8N103 W104 G112N103-G107 PolarHBondContact O-N 2.86Å; W104-G107 PolarHBondContact O-N 2.92Å; W104-G107 VanDerWaalsContact O-N 3.11Å; G107-G112 PolarHBondContact O-N 3.11Å
108Y96.7Very high93.8Very high40 Ų4045.9 Ų45.916%0.15726%0.257CS..Iπ-helixtrans-78.1-54.9-175.2-175.1-91.3000112.7W104 A105 P113 G149 A152 F153 Q156 H193W104-Y108 HydrophobicContact CE3-CG 4.45Å; W104-Y108 AromaticContact CH2-CD1 3.72Å; W104-Y108 HydrophobicContact CH2-CD1 3.72Å; W104-Y108 AromaticContact CH2-CD2 3.55Å; W104-Y108 HydrophobicContact CH2-CD2 3.55Å; W104-Y108 HydrophobicContact CH2-CE1 4.18Å; W104-Y108 HydrophobicContact CH2-CE2 4.04Å; W104-Y108 AromaticContact CH2-CG 3.38Å; W104-Y108 HydrophobicContact CH2-CG 3.38Å; W104-Y108 AromaticContact CZ2-CD2 3.68Å; W104-Y108 HydrophobicContact CZ2-CD2 3.68Å; W104-Y108 HydrophobicContact CZ2-CE2 4.26Å; W104-Y108 AromaticContact CZ2-CG 3.89Å; W104-Y108 HydrophobicContact CZ2-CG 3.89Å; W104-Y108 AromaticContact CZ3-CD1 3.89Å; W104-Y108 HydrophobicContact CZ3-CD1 3.89Å; W104-Y108 HydrophobicContact CZ3-CD2 4.32Å; W104-Y108 AromaticContact CZ3-CG 3.7Å; W104-Y108 HydrophobicContact CZ3-CG 3.7Å; W104-Y108 WeakPolarHBondContact O-CB 3.33Å; W104-Y108 PolarHBondContact O-N 2.81Å; A105-Y108 PolarHBondContact O-N 3.35Å; Y108-P113 WeakPolarHBondContact O-CD 3.37Å; Y108-G149 WeakPolarHBondContact CD2-O 3.42Å; Y108-A152 HydrophobicContact CD2-CB 4.22Å; Y108-A152 HydrophobicContact CE2-CB 4.47Å; Y108-F153 HydrophobicContact CD2-CB 3.64Å; Y108-F153 HydrophobicContact CD2-CD2 4.35Å; Y108-F153 HydrophobicContact CE2-CB 3.88Å; Y108-F153 HydrophobicContact CE2-CD2 4.17Å; Y108-F153 HydrophobicContact CG-CB 4.39Å; Y108-Q156 PolarHBondContact OH-OE1 2.78Å; Y108-H193 AromaticContact CE2-CD2 3.86Å; Y108-H193 AromaticContact CZ-CD2 3.87Å
109S95.7Very high94.3Very high44 Ų4440.1 Ų40.131%0.30823%0.23SC..Iπ-helixtrans-85.6-20.5-170-51.10000114A105 F429A105-S109 VanDerWaalsContact O-CB 3.27Å; A105-S109 WeakPolarHBondContact O-CB 3.5Å; A105-S109 PolarHBondContact O-N 3.1Å; A105-S109 PolarHBondContact O-OG 3.3Å; S109-F429 VanDerWaalsContact CB-O 3.27Å; S109-F429 WeakPolarHBondContact CB-O 3.01Å
110V95.3Very high94.9Very high49 Ų4939.6 Ų39.630%0.29722%0.223SC..Iπ-helixtrans-112.9-59.7-178.6-174.10000111.8Y106 K114 F429Y106-V110 HydrophobicContact CD2-CB 3.68Å; Y106-V110 HydrophobicContact CD2-CG1 4.14Å; Y106-V110 HydrophobicContact CD2-CG2 3.66Å; Y106-V110 HydrophobicContact CE2-CB 3.77Å; Y106-V110 HydrophobicContact CE2-CG1 3.68Å; Y106-V110 HydrophobicContact CE2-CG2 3.99Å; Y106-V110 WeakPolarHBondContact O-CB 3.47Å; Y106-V110 PolarHBondContact O-N 3.34Å; V110-K114 WeakPolarHBondContact O-CB 3.49Å; V110-K114 PolarHBondContact O-N 2.87Å; V110-F429 HydrophobicContact CG2-CB 4.39Å; V110-F429 HydrophobicContact CG2-CD1 4.03Å
111H94.7Very high95.4Very high5 Ų542.4 Ų42.42%0.02324%0.238CC..Iπ-helixtrans-67.9-38.7-177.6-77.8-59.3000112.8M68 S100 Y106 H115M68-H111 HydrophobicContact SD-CB 4.13Å; S100-H111 PolarHBondContact OG-CD2 3.14Å; Y106-H111 AromaticContact CD1-CD2 3.72Å; Y106-H111 AromaticContact CD1-NE2 3.65Å; Y106-H111 AromaticContact CE1-CD2 3.58Å; Y106-H111 AromaticContact CE1-CE1 3.98Å; Y106-H111 AromaticContact CE1-NE2 3.04Å; Y106-H111 WeakPolarHBondContact CE1-NE2 3.11Å; Y106-H111 AromaticContact CZ-NE2 3.61Å; Y106-H111 PolarHBondContact O-N 3.33Å; H111-H115 AromaticContact ND1-CD2 3.9Å; H111-H115 AromaticContact ND1-NE2 3.88Å; H111-H115 WeakPolarHBondContact O-CB 3.37Å; H111-H115 PolarHBondContact O-CD2 3.48Å; H111-H115 PolarHBondContact O-N 2.78Å; H111-H115 VanDerWaalsContact O-N 3.12Å
112G94.8Very high95.9Very high0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-52.9-70.2176.200000112.5G107 K114 H115 E116 F153G107-G112 PolarHBondContact O-N 3.11Å; G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.99Å; G112-H115 CarbonylContact O-C 3.55Å; G112-H115 PolarHBondContact O-N 2.82Å; G112-H115 VanDerWaalsContact O-N 3.14Å; G112-E116 PolarHBondContact O-N 2.96Å; G112-F153 VanDerWaalsContact CA-CD1 3.46Å; G112-F153 WeakPolarHBondContact O-CE1 3.17Å
113P96.4Very high96.2Very high69 Ų6936.8 Ų36.845%0.44819%0.191SC..Hα-helixtrans-57.1-38.8-179.2-28.234000113.6Y108 H115 F153Y108-P113 WeakPolarHBondContact O-CD 3.37Å; P113-H115 VanDerWaalsContact C-N 3.26Å; P113-H115 PolarHBondContact O-N 3.27Å; P113-F153 HydrophobicContact CG-CE2 3.83Å; P113-F153 HydrophobicContact CG-CZ 4.05Å
114K96.3Very high96.3Very high146 Ų14639.9 Ų39.964%0.63521%0.205SC*.Hα-helixtrans-64.4-30.5-178.7-175.3179.1178.5-1790113.2V110 G112V110-K114 WeakPolarHBondContact O-CB 3.49Å; V110-K114 PolarHBondContact O-N 2.87Å; G112-K114 VanDerWaalsContact C-N 3.28Å; G112-K114 PolarHBondContact O-N 2.99Å
115H95.9Very high96.3Very high16 Ų1645.6 Ų45.67%0.07423%0.229CC..Hα-helixtrans-119.57.7-172.9-60-53000113.6F94 H111 G112 P113 E117 S118 I119F94-H115 HydrophobicContact CE1-CB 3.93Å; F94-H115 AromaticContact CE1-CG 3.96Å; F94-H115 HydrophobicContact CZ-CB 3.62Å; F94-H115 AromaticContact CZ-CG 3.55Å; F94-H115 AromaticContact CZ-ND1 3.63Å; H111-H115 AromaticContact ND1-CD2 3.9Å; H111-H115 AromaticContact ND1-NE2 3.88Å; H111-H115 WeakPolarHBondContact O-CB 3.37Å; H111-H115 PolarHBondContact O-CD2 3.48Å; H111-H115 PolarHBondContact O-N 2.78Å; H111-H115 VanDerWaalsContact O-N 3.12Å; G112-H115 CarbonylContact O-C 3.55Å; G112-H115 PolarHBondContact O-N 2.82Å; G112-H115 VanDerWaalsContact O-N 3.14Å; P113-H115 VanDerWaalsContact C-N 3.26Å; P113-H115 PolarHBondContact O-N 3.27Å; H115-E117 PolarHBondContact O-N 3.34Å; H115-S118 PolarHBondContact O-N 2.87Å; H115-I119 HydrophobicContact CB-CD1 4.07Å; H115-I119 WeakPolarHBondContact O-CG1 3.05Å; H115-I119 PolarHBondContact O-N 3.28Å
116E96.4Very high96.3Very high50 Ų5045.8 Ų45.823%0.23423%0.23CC..Hα-helixtrans-50.1-58.1-179.3-179.7175.9167.700111.5G112 S118 I119 M120 F153 K157G112-E116 PolarHBondContact O-N 2.96Å; E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 PolarHBondContact O-N 3.37Å; E116-I119 PolarHBondContact O-N 3.32Å; E116-M120 HydrophobicContact CG-CG 4.15Å; E116-M120 WeakPolarHBondContact O-CB 3.45Å; E116-M120 VanDerWaalsContact O-CG 3.3Å; E116-M120 WeakPolarHBondContact O-CG 3.18Å; E116-M120 PolarHBondContact O-N 3Å; E116-F153 HydrophobicContact CB-CE1 3.96Å; E116-F153 HydrophobicContact CB-CZ 4.3Å; E116-F153 HydrophobicContact CG-CE1 4.07Å; E116-F153 HydrophobicContact CG-CZ 4.39Å; E116-F153 WeakPolarHBondContact OE2-CZ 3.44Å; E116-K157 VanDerWaalsContact CD-CE 3.46Å; E116-K157 HydrophobicContact CG-CG 4.39Å; E116-K157 WeakPolarHBondContact OE1-CD 3.28Å; E116-K157 VanDerWaalsContact OE1-CE 3.25Å; E116-K157 WeakPolarHBondContact OE1-CE 3.39Å; E116-K157 IonicContact OE1-NZ 2.8Å; E116-K157 PolarHBondContact OE1-NZ 2.97Å; E116-K157 VanDerWaalsContact OE2-CE 3.31Å; E116-K157 WeakPolarHBondContact OE2-CE 3.46Å; E116-K157 IonicContact OE2-NZ 3.01Å; E116-K157 PolarHBondContact OE2-NZ 3.2Å
117E96.8Very high96.3Very high148 Ų14844.9 Ų44.969%0.69223%0.229SC*.Hα-helixtrans-57.1-44.1-177.1-175.8-175.8177.400111.7H115 N121H115-E117 PolarHBondContact O-N 3.34Å; E117-N121 WeakPolarHBondContact CG-ND2 3.44Å; E117-N121 WeakPolarHBondContact O-CB 3.24Å; E117-N121 PolarHBondContact O-N 3.35Å; E117-N121 PolarHBondContact O-ND2 3.12Å; E117-N121 VanDerWaalsContact O-ND2 3.14Å
118S96.6Very high96.2Very high58 Ų5851.1 Ų51.141%0.40626%0.258SS..Hα-helixtrans-64.8-43.8-179.7-64.80000112.3H115 E116 L122H115-S118 PolarHBondContact O-N 2.87Å; E116-S118 VanDerWaalsContact C-N 3.3Å; E116-S118 PolarHBondContact O-N 3.37Å; S118-L122 VanDerWaalsContact O-CG 3.28Å; S118-L122 WeakPolarHBondContact O-CG 3.48Å; S118-L122 PolarHBondContact O-N 3.31Å
119I97.1Very high96Very high2 Ų253.5 Ų53.51%0.0127%0.269CS..Hα-helixtrans-71.3-46.9-178.7-66.1165.9000110.4V66 F94 H115 E116 N121 L122 I123 L150 V154V66-I119 HydrophobicContact CG1-CD1 3.87Å; V66-I119 HydrophobicContact CG1-CG1 4.24Å; V66-I119 HydrophobicContact CG2-CG2 4.05Å; F94-I119 HydrophobicContact CB-CG1 4.44Å; F94-I119 HydrophobicContact CD1-CD1 4.16Å; F94-I119 HydrophobicContact CD1-CG1 3.92Å; F94-I119 HydrophobicContact CD2-CG1 4.41Å; F94-I119 HydrophobicContact CE1-CD1 4.24Å; F94-I119 HydrophobicContact CE1-CG1 4.24Å; F94-I119 HydrophobicContact CG-CG1 4Å; H115-I119 HydrophobicContact CB-CD1 4.07Å; H115-I119 WeakPolarHBondContact O-CG1 3.05Å; H115-I119 PolarHBondContact O-N 3.28Å; E116-I119 PolarHBondContact O-N 3.32Å; I119-N121 VanDerWaalsContact C-N 3.34Å; I119-N121 PolarHBondContact O-N 3.01Å; I119-L122 WeakPolarHBondContact O-CB 3.3Å; I119-L122 PolarHBondContact O-N 2.97Å; I119-L122 VanDerWaalsContact O-N 3.14Å; I119-I123 HydrophobicContact CG2-CD1 4.03Å; I119-I123 WeakPolarHBondContact O-CG1 3.29Å; I119-I123 PolarHBondContact O-N 3.48Å; I119-I123 VanDerWaalsContact O-N 3.1Å; I119-L150 HydrophobicContact CD1-CD1 3.99Å; I119-L150 HydrophobicContact CD1-CD2 4.14Å; I119-L150 HydrophobicContact CD1-CG 4.48Å; I119-V154 HydrophobicContact CD1-CG2 4.44Å; I119-V154 HydrophobicContact CG2-CG1 4.46Å; I119-V154 HydrophobicContact CG2-CG2 4.01Å
120M97.6Very high95.8Very high5 Ų552.2 Ų52.23%0.02526%0.26CS..Hα-helixtrans-65.8-37-178.9-63.8-52.2-68.800111.8E116 L122 I123 Q124 K157 L158 Q161 Y162E116-M120 HydrophobicContact CG-CG 4.15Å; E116-M120 WeakPolarHBondContact O-CB 3.45Å; E116-M120 VanDerWaalsContact O-CG 3.3Å; E116-M120 WeakPolarHBondContact O-CG 3.18Å; E116-M120 PolarHBondContact O-N 3Å; M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 3.02Å; M120-I123 PolarHBondContact O-N 2.53Å; M120-I123 HydrophobicContact SD-CD1 4.2Å; M120-Q124 WeakPolarHBondContact O-CB 3.44Å; M120-Q124 PolarHBondContact O-N 3.04Å; M120-K157 HydrophobicContact CE-CB 4.15Å; M120-K157 HydrophobicContact SD-CB 3.96Å; M120-L158 HydrophobicContact CE-CD2 3.82Å; M120-L158 HydrophobicContact CE-CG 4.31Å; M120-Q161 HydrophobicContact CE-CB 4.41Å; M120-Q161 HydrophobicContact CE-CG 4.3Å; M120-Y162 HydrophobicContact CE-CE2 4.24Å
121N97Very high95.6Very high63 Ų6357.6 Ų57.634%0.33729%0.287SS..Hα-helixtrans-62.7-34.7173.6-75.7-18.4000112.7E117 I119 K125E117-N121 WeakPolarHBondContact CG-ND2 3.44Å; E117-N121 WeakPolarHBondContact O-CB 3.24Å; E117-N121 PolarHBondContact O-N 3.35Å; E117-N121 PolarHBondContact O-ND2 3.12Å; E117-N121 VanDerWaalsContact O-ND2 3.14Å; I119-N121 VanDerWaalsContact C-N 3.34Å; I119-N121 PolarHBondContact O-N 3.01Å; N121-K125 WeakPolarHBondContact O-CB 3.05Å; N121-K125 VanDerWaalsContact O-CG 3.25Å; N121-K125 WeakPolarHBondContact O-CG 3.42Å; N121-K125 PolarHBondContact O-N 3.42Å; N121-K125 VanDerWaalsContact O-N 3.08Å
122L97Very high95.4Very high28 Ų2860 Ų6015%0.14731%0.305CS..Hα-helixtrans-68.8-42.9175.4-68.2167000111.3V64 H91 F94 S118 I119 M120 K125 E126V64-L122 HydrophobicContact CG1-CB 4.07Å; H91-L122 WeakPolarHBondContact O-CD2 3.35Å; F94-L122 HydrophobicContact CB-CD1 3.72Å; F94-L122 HydrophobicContact CD2-CD1 4.36Å; F94-L122 HydrophobicContact CG-CD1 4.5Å; S118-L122 VanDerWaalsContact O-CG 3.28Å; S118-L122 WeakPolarHBondContact O-CG 3.48Å; S118-L122 PolarHBondContact O-N 3.31Å; I119-L122 WeakPolarHBondContact O-CB 3.3Å; I119-L122 PolarHBondContact O-N 2.97Å; I119-L122 VanDerWaalsContact O-N 3.14Å; M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 3.02Å; L122-K125 PolarHBondContact O-N 3.21Å; L122-E126 PolarHBondContact O-N 2.76Å
123I97.4Very high95.3Very high0 Ų061.6 Ų61.60%031%0.313CS..Hα-helixtrans-64.6-46.8177.3-63.1170.6000110.2V6 V64 I119 M120 K125 E126 V127 F136 V154 L158V6-I123 HydrophobicContact CG1-CD1 4.3Å; V6-I123 HydrophobicContact CG2-CD1 4.14Å; V6-I123 HydrophobicContact CG2-CG1 4.4Å; V64-I123 HydrophobicContact CB-CG1 4.33Å; V64-I123 HydrophobicContact CG1-CG1 4.26Å; V64-I123 HydrophobicContact CG2-CG1 4.18Å; I119-I123 HydrophobicContact CG2-CD1 4.03Å; I119-I123 WeakPolarHBondContact O-CG1 3.29Å; I119-I123 PolarHBondContact O-N 3.48Å; I119-I123 VanDerWaalsContact O-N 3.1Å; M120-I123 PolarHBondContact O-N 2.53Å; M120-I123 HydrophobicContact SD-CD1 4.2Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 2.88Å; I123-E126 PolarHBondContact O-N 3.16Å; I123-V127 HydrophobicContact CG2-CG2 4.21Å; I123-V127 WeakPolarHBondContact O-CG2 3.48Å; I123-V127 PolarHBondContact O-N 2.77Å; I123-F136 HydrophobicContact CG2-CD1 4.33Å; I123-F136 HydrophobicContact CG2-CE1 3.54Å; I123-F136 HydrophobicContact CG2-CZ 4.25Å; I123-V154 HydrophobicContact CD1-CG1 4.09Å; I123-L158 HydrophobicContact CD1-CD2 4.08Å; I123-L158 HydrophobicContact CG2-CD2 3.92Å
124Q96.8Very high95.1Very high76 Ų7658.6 Ų58.636%0.35529%0.294SS..Hα-helixtrans-55.8-48177.1-177.6-178.7-4.100111.6M120 E126 V127 E128 Y162M120-Q124 WeakPolarHBondContact O-CB 3.44Å; M120-Q124 PolarHBondContact O-N 3.04Å; Q124-E126 PolarHBondContact O-N 2.71Å; Q124-V127 PolarHBondContact O-N 2.9Å; Q124-V127 VanDerWaalsContact O-N 3.12Å; Q124-E128 HydrophobicContact CG-CG 4.35Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.45Å; Q124-E128 PolarHBondContact NE2-OE1 3.3Å; Q124-E128 WeakPolarHBondContact O-CG 3.23Å; Q124-E128 PolarHBondContact O-N 2.83Å; Q124-Y162 WeakPolarHBondContact CA-OH 3.33Å; Q124-Y162 WeakPolarHBondContact CB-OH 3.39Å
125K95.8Very high95.1Very high119 Ų11951.7 Ų51.752%0.51726%0.263SS..Hα-helixtrans-59.1-30.5176.2-76.6173.2-177.6178.60113.2N121 L122 I123 K129N121-K125 WeakPolarHBondContact O-CB 3.05Å; N121-K125 VanDerWaalsContact O-CG 3.25Å; N121-K125 WeakPolarHBondContact O-CG 3.42Å; N121-K125 PolarHBondContact O-N 3.42Å; N121-K125 VanDerWaalsContact O-N 3.08Å; L122-K125 PolarHBondContact O-N 3.21Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 2.88Å; K125-K129 WeakPolarHBondContact O-CD 3.18Å; K125-K129 WeakPolarHBondContact O-CE 3.49Å; K125-K129 WeakPolarHBondContact O-CG 3.45Å
126E95.9Very high95.2Very high4 Ų450.9 Ų50.92%0.01926%0.26CS..Hα-helixtrans-80.9-35.5177-16258-150.800111.9V4 R52 V64 L122 I123 Q124 K129 C130V4-E126 HydrophobicContact CG1-CB 4.35Å; V4-E126 HydrophobicContact CG1-CG 4.2Å; V4-E126 HydrophobicContact CG2-CG 4.4Å; R52-E126 IonicContact CZ-OE1 3.09Å; R52-E126 IonicContact NH1-OE1 2.87Å; R52-E126 PolarHBondContact NH1-OE1 2.9Å; R52-E126 IonicContact NH1-OE2 3.39Å; R52-E126 PolarHBondContact NH1-OE2 2.99Å; V64-E126 HydrophobicContact CG2-CB 4.12Å; V64-E126 HydrophobicContact CG2-CG 4.49Å; L122-E126 PolarHBondContact O-N 2.76Å; I123-E126 PolarHBondContact O-N 3.16Å; Q124-E126 PolarHBondContact O-N 2.71Å; E126-K129 PolarHBondContact O-N 3.19Å; E126-K129 IonicContact OE2-NZ 3.96Å; E126-K129 PolarHBondContact OE2-NZ 2.84Å; E126-C130 PolarHBondContact O-SG 2.74Å; E126-C130 VanDerWaalsContact O-SG 3.42Å
127V95.5Very high95.3Very high21 Ų2148.6 Ų48.613%0.12725%0.249CC..Hα-helixtrans-63-43.7172.4170.60000111.3V4 I123 Q124 K129 C130 L133 F136 Y162V4-V127 HydrophobicContact CG2-CG2 4.07Å; I123-V127 HydrophobicContact CG2-CG2 4.21Å; I123-V127 WeakPolarHBondContact O-CG2 3.48Å; I123-V127 PolarHBondContact O-N 2.77Å; Q124-V127 PolarHBondContact O-N 2.9Å; Q124-V127 VanDerWaalsContact O-N 3.12Å; V127-K129 PolarHBondContact O-N 3.35Å; V127-K129 VanDerWaalsContact O-N 3.08Å; V127-C130 VanDerWaalsContact O-CB 3.26Å; V127-C130 WeakPolarHBondContact O-CB 3.26Å; V127-C130 PolarHBondContact O-N 3.32Å; V127-L133 HydrophobicContact CG1-CD2 3.84Å; V127-L133 HydrophobicContact CG2-CD2 4.04Å; V127-F136 HydrophobicContact CG2-CE1 3.71Å; V127-F136 HydrophobicContact CG2-CZ 3.8Å; V127-Y162 HydrophobicContact CB-CE1 4.49Å; V127-Y162 HydrophobicContact CG1-CE1 4.01Å; V127-Y162 HydrophobicContact CG2-CE1 4.31Å
128E94.9Very high95.3Very high131 Ų13141.5 Ų41.561%0.61222%0.216SC*.THydrogen-bonded Turntrans-61.7-17.4178.6-73.9171.9179.200113.5Q124 C130Q124-E128 HydrophobicContact CG-CG 4.35Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.45Å; Q124-E128 PolarHBondContact NE2-OE1 3.3Å; Q124-E128 WeakPolarHBondContact O-CG 3.23Å; Q124-E128 PolarHBondContact O-N 2.83Å; E128-C130 VanDerWaalsContact C-N 3.35Å
129K92.9Very high95.4Very high90 Ų9038.8 Ų38.839%0.39120%0.197SC..THydrogen-bonded Turntrans-89.50.1174.1-61.4168.5-161.7156.70113.3R62 K125 E126 V127R62-K129 PolarHBondContact NH1-O 2.8Å; K125-K129 WeakPolarHBondContact O-CD 3.18Å; K125-K129 WeakPolarHBondContact O-CE 3.49Å; K125-K129 WeakPolarHBondContact O-CG 3.45Å; E126-K129 PolarHBondContact O-N 3.19Å; E126-K129 IonicContact OE2-NZ 3.96Å; E126-K129 PolarHBondContact OE2-NZ 2.84Å; V127-K129 PolarHBondContact O-N 3.35Å; V127-K129 VanDerWaalsContact O-N 3.08Å
130C91.8Very high95.4Very high17 Ų1738.7 Ų38.712%0.11520%0.196CC..  trans-96.1127.8177.4-60.50000109R62 E126 V127 E128 S132R62-C130 PolarHBondContact NH1-SG 3.07Å; E126-C130 PolarHBondContact O-SG 2.74Å; E126-C130 VanDerWaalsContact O-SG 3.42Å; V127-C130 VanDerWaalsContact O-CB 3.26Å; V127-C130 WeakPolarHBondContact O-CB 3.26Å; V127-C130 PolarHBondContact O-N 3.32Å; E128-C130 VanDerWaalsContact C-N 3.35Å; C130-S132 PolarHBondContact O-N 3.08Å
131D89.9Confident95.3Very high162 Ų16239 Ų3987%0.86620%0.199SC*.SBendtrans-63.9-35174.1-57.9-42.1000111.1
132S90.3Very high95.1Very high56 Ų5636 Ų3639%0.39218%0.183SC..SBendtrans-152.1119.6174.6178.20000109.9S2 C130S2-S132 PolarHBondContact N-O 3.25Å; C130-S132 PolarHBondContact O-N 3.08Å
133L93.1Very high94.6Very high33 Ų3334.8 Ų34.817%0.17318%0.177CC..EExtended strand (participates in β ladder)trans-85.9123.1177.7-179.668.8000110.3V4 V127 F136 S165V4-L133 HydrophobicContact CB-CD1 4.33Å; V4-L133 HydrophobicContact CG2-CD1 3.82Å; V127-L133 HydrophobicContact CG1-CD2 3.84Å; V127-L133 HydrophobicContact CG2-CD2 4.04Å; L133-F136 HydrophobicContact CD2-CE2 4.08Å; L133-F136 HydrophobicContact CD2-CZ 3.87Å; L133-S165 WeakPolarHBondContact CD2-OG 3.47Å
134S92.2Very high94.1Very high6 Ų635.6 Ų35.64%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-79.6-49.7167.7155.90000110.6S2 L166 D254S2-S134 PolarHBondContact O-N 3.44Å; S134-L166 PolarHBondContact O-N 3.4Å; S134-D254 VanDerWaalsContact CB-OD1 3.27Å; S134-D254 WeakPolarHBondContact CB-OD1 3.47Å; S134-D254 PolarHBondContact OG-OD1 2.89Å
135G95.9Very high93.7Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans171.9-168.6-179.200000113.6V4 L166V4-G135 PolarHBondContact N-O 3.22Å; V4-G135 VanDerWaalsContact N-O 3.16Å; G135-L166 CarbonylContact C-O 3.59Å; G135-L166 WeakPolarHBondContact CA-O 3.46Å
136F98.1Very high93.5Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-105.8128.1-179.9-58.6-81.5000110.4V4 V6 I123 V127 L133 I138 L158 Y162 L166 K167 M168V4-F136 HydrophobicContact CB-CD1 3.99Å; V4-F136 HydrophobicContact CB-CE1 4.11Å; V4-F136 HydrophobicContact CG1-CD1 4.19Å; V4-F136 HydrophobicContact CG1-CE1 4.25Å; V4-F136 WeakPolarHBondContact O-CA 3.44Å; V6-F136 HydrophobicContact CG2-CD1 4.26Å; I123-F136 HydrophobicContact CG2-CD1 4.33Å; I123-F136 HydrophobicContact CG2-CE1 3.54Å; I123-F136 HydrophobicContact CG2-CZ 4.25Å; V127-F136 HydrophobicContact CG2-CE1 3.71Å; V127-F136 HydrophobicContact CG2-CZ 3.8Å; L133-F136 HydrophobicContact CD2-CE2 4.08Å; L133-F136 HydrophobicContact CD2-CZ 3.87Å; F136-I138 HydrophobicContact CB-CD1 4.27Å; F136-I138 HydrophobicContact CB-CG1 4.04Å; F136-L158 HydrophobicContact CB-CD1 4.48Å; F136-L158 HydrophobicContact CD1-CD1 4.42Å; F136-L158 HydrophobicContact CD1-CD2 4.17Å; F136-L158 HydrophobicContact CD2-CD2 4.34Å; F136-L158 HydrophobicContact CE1-CD2 3.9Å; F136-L158 HydrophobicContact CE2-CD2 4.08Å; F136-L158 HydrophobicContact CG-CD1 4.24Å; F136-L158 HydrophobicContact CG-CD2 4.38Å; F136-L158 HydrophobicContact CZ-CD2 3.84Å; F136-Y162 HydrophobicContact CE2-CD1 4.33Å; F136-Y162 AromaticContact CE2-CD2 3.96Å; F136-Y162 HydrophobicContact CE2-CD2 3.96Å; F136-Y162 AromaticContact CE2-CG 3.73Å; F136-Y162 HydrophobicContact CE2-CG 3.73Å; F136-Y162 HydrophobicContact CZ-CD1 4.1Å; F136-Y162 AromaticContact CZ-CD2 3.76Å; F136-Y162 HydrophobicContact CZ-CD2 3.76Å; F136-Y162 HydrophobicContact CZ-CE1 4.44Å; F136-Y162 HydrophobicContact CZ-CE2 4.13Å; F136-Y162 AromaticContact CZ-CG 3.75Å; F136-Y162 HydrophobicContact CZ-CG 3.75Å; F136-L166 PolarHBondContact N-O 3.26Å; F136-K167 HydrophobicContact CD2-CG 4.36Å; F136-M168 PolarHBondContact O-N 2.81Å
137F97.9Very high93.3Very high1 Ų127.1 Ų27.10%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-102.1110166.4-178.4-123000108.9I3 V4 T5 V6 I139 M168 Q170 L235 F239I3-F137 HydrophobicContact CG2-CB 3.59Å; V4-F137 PolarHBondContact O-N 3.36Å; V4-F137 VanDerWaalsContact O-N 3.09Å; T5-F137 CarbonylContact C-O 3.36Å; T5-F137 WeakPolarHBondContact CA-O 3.23Å; T5-F137 HydrophobicContact CG2-CD1 4.06Å; T5-F137 WeakPolarHBondContact CG2-O 3.14Å; V6-F137 PolarHBondContact N-O 2.81Å; F137-I139 HydrophobicContact CD1-CD1 4.06Å; F137-I139 HydrophobicContact CD1-CG1 3.95Å; F137-I139 HydrophobicContact CE1-CD1 3.55Å; F137-I139 HydrophobicContact CE1-CG1 3.54Å; F137-I139 HydrophobicContact CZ-CD1 4.36Å; F137-I139 HydrophobicContact CZ-CG1 4.01Å; F137-M168 HydrophobicContact CD2-CB 4.32Å; F137-M168 HydrophobicContact CD2-CG 4.26Å; F137-M168 HydrophobicContact CE2-CG 4.42Å; F137-Q170 HydrophobicContact CE2-CB 3.75Å; F137-Q170 HydrophobicContact CZ-CB 3.66Å; F137-Q170 HydrophobicContact CZ-CG 4.41Å; F137-L235 HydrophobicContact CE1-CD1 4.21Å; F137-L235 HydrophobicContact CZ-CD1 3.96Å; F137-L235 HydrophobicContact CZ-CD2 4.36Å; F137-F239 HydrophobicContact CD1-CE2 4.33Å; F137-F239 HydrophobicContact CD1-CZ 4.47Å; F137-F239 HydrophobicContact CD2-CE2 4.18Å; F137-F239 AromaticContact CD2-CZ 3.67Å; F137-F239 HydrophobicContact CD2-CZ 3.67Å; F137-F239 AromaticContact CE1-CE2 3.83Å; F137-F239 HydrophobicContact CE1-CE2 3.83Å; F137-F239 HydrophobicContact CE1-CZ 4.29Å; F137-F239 AromaticContact CE2-CE2 3.69Å; F137-F239 HydrophobicContact CE2-CE2 3.69Å; F137-F239 AromaticContact CE2-CZ 3.47Å; F137-F239 HydrophobicContact CE2-CZ 3.47Å; F137-F239 VanDerWaalsContact CE2-CZ 3.47Å; F137-F239 HydrophobicContact CG-CE2 4.49Å; F137-F239 HydrophobicContact CG-CZ 4.19Å; F137-F239 AromaticContact CZ-CE2 3.5Å; F137-F239 HydrophobicContact CZ-CE2 3.5Å; F137-F239 VanDerWaalsContact CZ-CE2 3.5Å; F137-F239 AromaticContact CZ-CZ 3.82Å; F137-F239 HydrophobicContact CZ-CZ 3.82Å
138I98.4Very high93.3Very high0 Ų026.1 Ų26.10%015%0.145CC..EExtended strand (participates in β ladder)trans-107125.1-169.6-56.4165.6000108.1V6 L8 F136 M140 T155 L158 K167 M168 N169 Q170V6-I138 HydrophobicContact CB-CG1 4.3Å; V6-I138 CarbonylContact O-C 3.56Å; V6-I138 WeakPolarHBondContact O-CA 3.49Å; L8-I138 HydrophobicContact CD1-CG2 3.56Å; F136-I138 HydrophobicContact CB-CD1 4.27Å; F136-I138 HydrophobicContact CB-CG1 4.04Å; I138-M140 HydrophobicContact CG2-SD 4.38Å; I138-T155 HydrophobicContact CD1-CG2 4.1Å; I138-L158 HydrophobicContact CD1-CD1 3.8Å; I138-L158 HydrophobicContact CG1-CD1 4.38Å; I138-K167 HydrophobicContact CD1-CB 4.35Å; I138-K167 HydrophobicContact CD1-CG 4.49Å; I138-M168 PolarHBondContact N-O 2.8Å; I138-N169 VanDerWaalsContact CB-OD1 3.25Å; I138-N169 WeakPolarHBondContact CB-OD1 3.41Å; I138-N169 WeakPolarHBondContact CG2-OD1 3.17Å; I138-N169 CarbonylContact O-C 3.45Å; I138-N169 WeakPolarHBondContact O-CA 3.41Å; I138-Q170 PolarHBondContact O-N 2.48Å
139I98.3Very high93.3Very high0 Ų019.9 Ų19.90%012%0.116CC..EExtended strand (participates in β ladder)trans-115.5119.2-176.6-50.4176.4000109.5T5 V6 L8 G12 I15 F137T5-I139 HydrophobicContact CG2-CD1 3.87Å; T5-I139 HydrophobicContact CG2-CG1 4.23Å; V6-I139 PolarHBondContact O-N 2.92Å; L8-I139 PolarHBondContact N-O 2.88Å; G12-I139 WeakPolarHBondContact CA-O 3.39Å; I15-I139 HydrophobicContact CB-CG2 4.15Å; I15-I139 HydrophobicContact CG2-CG2 3.97Å; F137-I139 HydrophobicContact CD1-CD1 4.06Å; F137-I139 HydrophobicContact CD1-CG1 3.95Å; F137-I139 HydrophobicContact CE1-CD1 3.55Å; F137-I139 HydrophobicContact CE1-CG1 3.54Å; F137-I139 HydrophobicContact CZ-CD1 4.36Å; F137-I139 HydrophobicContact CZ-CG1 4.01Å
140M97Very high93.5Very high0 Ų015.6 Ų15.60%010%0.097CC..EExtended strand (participates in β ladder)trans-151.1168.5-176.661.6-169.7-77.700113.6L8 I138 G147 S148 N169 Q170 I171 I172 T190 L194L8-M140 HydrophobicContact CB-CB 4.19Å; I138-M140 HydrophobicContact CG2-SD 4.38Å; M140-G147 WeakPolarHBondContact CB-O 3.37Å; M140-G147 WeakPolarHBondContact CE-O 3.4Å; M140-S148 WeakPolarHBondContact CE-O 3.44Å; M140-N169 PolarHBondContact SD-OD1 2.84Å; M140-Q170 PolarHBondContact N-O 3.35Å; M140-I171 HydrophobicContact CG-CG2 4.05Å; M140-I171 WeakPolarHBondContact O-CA 3.37Å; M140-I172 PolarHBondContact O-N 2.81Å; M140-T190 HydrophobicContact CE-CG2 3.57Å; M140-L194 HydrophobicContact CE-CD1 4.05Å; M140-L194 HydrophobicContact CE-CD2 4.4Å; M140-L194 HydrophobicContact SD-CD1 3.97Å; M140-L194 HydrophobicContact SD-CD2 4.12Å
141S95.1Very high93.7Very high12 Ų1214.8 Ų14.88%0.0849%0.092CC..EExtended strand (participates in β ladder)trans-112.5144.5171.31720000110.4A143 G147 S148S141-A143 PolarHBondContact OG-N 2.8Å; S141-G147 CarbonylContact O-C 3.45Å; S141-S148 WeakPolarHBondContact O-CA 3.28Å; S141-S148 WeakPolarHBondContact O-CB 3.46Å; S141-S148 PolarHBondContact O-N 3.34Å
142M93.5Very high94.1Very high0 Ų07 Ų70%05%0.05CC..SBendtrans-77.7-22.5-179.7-69.5170.348.400114.2S148 I171 I172 W173 N186 S187 T190 L191 L409M142-S148 WeakPolarHBondContact O-CB 3.25Å; M142-I171 HydrophobicContact CG-CB 4.1Å; M142-I171 HydrophobicContact CG-CD1 4.37Å; M142-I171 HydrophobicContact SD-CB 4.23Å; M142-I171 HydrophobicContact SD-CD1 3.66Å; M142-I171 HydrophobicContact SD-CG1 4.09Å; M142-I172 PolarHBondContact N-O 2.93Å; M142-W173 HydrophobicContact CE-CD2 4.03Å; M142-W173 HydrophobicContact CE-CE3 3.86Å; M142-W173 HydrophobicContact CE-CZ3 4.12Å; M142-W173 HydrophobicContact SD-CB 4.46Å; M142-W173 HydrophobicContact SD-CD2 4.08Å; M142-W173 HydrophobicContact SD-CE3 3.67Å; M142-W173 HydrophobicContact SD-CG 4.44Å; M142-W173 HydrophobicContact SD-CZ3 4.29Å; M142-N186 CarbonylContact O-C 3.47Å; M142-N186 WeakPolarHBondContact O-CB 3.32Å; M142-S187 VanDerWaalsContact CE-CB 3.48Å; M142-S187 PolarHBondContact O-N 3.09Å; M142-T190 HydrophobicContact CG-CG2 4.29Å; M142-L191 HydrophobicContact CE-CD1 3.44Å; M142-L191 VanDerWaalsContact CE-CD1 3.44Å; M142-L191 HydrophobicContact CE-CD2 4.08Å; M142-L191 HydrophobicContact CE-CG 3.5Å; M142-L191 VanDerWaalsContact CE-CG 3.5Å; M142-L191 HydrophobicContact SD-CD1 4.38Å; M142-L191 HydrophobicContact SD-CD2 4.01Å; M142-L191 HydrophobicContact SD-CG 4.07Å; M142-L409 HydrophobicContact CE-CD2 4.08Å
143A85.1Confident94.5Very high2 Ų25.1 Ų5.12%0.0174%0.035CC..SBendtrans-96.7-21.1-170.200000115.2S141 P174 Q183 N186S141-A143 PolarHBondContact OG-N 2.8Å; A143-P174 HydrophobicContact CB-CB 3.66Å; A143-P174 HydrophobicContact CB-CG 4.05Å; A143-Q183 HydrophobicContact CB-CB 3.88Å; A143-N186 PolarHBondContact O-ND2 3.44Å
144G86.7Confident94.7Very high18 Ų183.7 Ų3.719%0.1863%0.028CC..SBendtrans-66.9-179.9178.500000112.6S148 N186G144-S148 VanDerWaalsContact O-CB 3.25Å; G144-S148 WeakPolarHBondContact O-CB 3.3Å; G144-S148 PolarHBondContact O-OG 3.47Å; G144-N186 PolarHBondContact O-ND2 3.18Å
145G88.6Confident95Very high3 Ų33.4 Ų3.43%0.0313%0.026CC..SBendtrans-94.1-48.1168.300000111.9G149G145-G149 PolarHBondContact O-N 3.05Å
146T92.5Very high95.1Very high11 Ų116.7 Ų6.77%0.0674%0.041CC..Iπ-helixtrans-71.7-52.8178.9-53.40000111.4M68 S100 S148 L150 G151M68-T146 HydrophobicContact CB-CG2 4.26Å; M68-T146 HydrophobicContact CG-CG2 3.77Å; S100-T146 PolarHBondContact OG-N 3.32Å; S100-T146 PolarHBondContact OG-OG1 3.18Å; T146-S148 PolarHBondContact O-N 3.27Å; T146-L150 HydrophobicContact CG2-CB 4.46Å; T146-L150 HydrophobicContact CG2-CD2 3.96Å; T146-L150 VanDerWaalsContact O-CB 3.3Å; T146-L150 WeakPolarHBondContact O-CB 3.29Å; T146-L150 PolarHBondContact O-N 3.05Å; T146-G151 PolarHBondContact O-N 3.49Å
147G92.1Very high95Very high6 Ų68.7 Ų8.76%0.0625%0.05CC..Iπ-helixtrans-59.1-34.9-178.100000112.5M140 S141M140-G147 WeakPolarHBondContact CB-O 3.37Å; M140-G147 WeakPolarHBondContact CE-O 3.4Å; S141-G147 CarbonylContact O-C 3.45Å
148S94.1Very high95Very high0 Ų08.7 Ų8.70%05%0.05CC..Iπ-helixtrans-91.2-60.2-172.479.30000112.1W104 M140 S141 M142 G144 T146 A152 T190W104-S148 VanDerWaalsContact CD1-OG 3.26Å; M140-S148 WeakPolarHBondContact CE-O 3.44Å; S141-S148 WeakPolarHBondContact O-CA 3.28Å; S141-S148 WeakPolarHBondContact O-CB 3.46Å; S141-S148 PolarHBondContact O-N 3.34Å; M142-S148 WeakPolarHBondContact O-CB 3.25Å; G144-S148 VanDerWaalsContact O-CB 3.25Å; G144-S148 WeakPolarHBondContact O-CB 3.3Å; G144-S148 PolarHBondContact O-OG 3.47Å; T146-S148 PolarHBondContact O-N 3.27Å; S148-A152 VanDerWaalsContact O-CB 3.28Å; S148-A152 WeakPolarHBondContact O-CB 3.45Å; S148-A152 PolarHBondContact O-N 2.95Å; S148-T190 VanDerWaalsContact CB-OG1 3.23Å; S148-T190 WeakPolarHBondContact CB-OG1 3.5Å
149G96.3Very high94.9Very high0 Ų011.3 Ų11.30%06%0.062CC..Iπ-helixtrans-72-55.8-175.500000112.6W104 Y108 G145 G151 A152 F153W104-G149 VanDerWaalsContact CD1-CA 3.47Å; Y108-G149 WeakPolarHBondContact CD2-O 3.42Å; G145-G149 PolarHBondContact O-N 3.05Å; G149-G151 PolarHBondContact O-N 2.9Å; G149-A152 PolarHBondContact O-N 3.34Å; G149-F153 PolarHBondContact O-N 2.98Å; G149-F153 VanDerWaalsContact O-N 3.08Å
150L96.5Very high94.8Very high0 Ų016 Ų160%09%0.087CC..Iπ-helixtrans-63.6-35.5175.1176.368.1000110.8V66 M68 I119 T146 F153 V154V66-L150 HydrophobicContact CG1-CD2 3.73Å; M68-L150 HydrophobicContact CE-CD2 3.27Å; M68-L150 HydrophobicContact CG-CD2 4.39Å; M68-L150 HydrophobicContact SD-CD2 4.13Å; I119-L150 HydrophobicContact CD1-CD1 3.99Å; I119-L150 HydrophobicContact CD1-CD2 4.14Å; I119-L150 HydrophobicContact CD1-CG 4.48Å; T146-L150 HydrophobicContact CG2-CB 4.46Å; T146-L150 HydrophobicContact CG2-CD2 3.96Å; T146-L150 VanDerWaalsContact O-CB 3.3Å; T146-L150 WeakPolarHBondContact O-CB 3.29Å; T146-L150 PolarHBondContact O-N 3.05Å; L150-F153 PolarHBondContact O-N 3.12Å; L150-V154 HydrophobicContact CD1-CG2 4.14Å; L150-V154 HydrophobicContact CG-CG2 4.27Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.3Å; L150-V154 PolarHBondContact O-N 2.89Å
151G97.1Very high94.7Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-66.2-39.817700000114.3T146 G149 V154 T155T146-G151 PolarHBondContact O-N 3.49Å; G149-G151 PolarHBondContact O-N 2.9Å; G151-V154 PolarHBondContact O-N 3.43Å; G151-T155 WeakPolarHBondContact O-CB 3.27Å; G151-T155 PolarHBondContact O-N 2.93Å; G151-T155 PolarHBondContact O-OG1 3.01Å
152A97.5Very high94.8Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-62.5-43.1172.400000111.4W104 Y108 S148 G149 T155 Q156 H193W104-A152 HydrophobicContact CZ2-CB 4.03Å; Y108-A152 HydrophobicContact CD2-CB 4.22Å; Y108-A152 HydrophobicContact CE2-CB 4.47Å; S148-A152 VanDerWaalsContact O-CB 3.28Å; S148-A152 WeakPolarHBondContact O-CB 3.45Å; S148-A152 PolarHBondContact O-N 2.95Å; G149-A152 PolarHBondContact O-N 3.34Å; A152-T155 PolarHBondContact O-N 2.89Å; A152-Q156 PolarHBondContact O-N 3.26Å; A152-H193 HydrophobicContact CB-CB 3.99Å
153F97.9Very high94.7Very high15 Ų1525.8 Ų25.87%0.06614%0.14CC..Hα-helixtrans-61.1-49.5176-177.9-90.4000112.1Y108 G112 P113 E116 G149 L150 T155 Q156 K157Y108-F153 HydrophobicContact CD2-CB 3.64Å; Y108-F153 HydrophobicContact CD2-CD2 4.35Å; Y108-F153 HydrophobicContact CE2-CB 3.88Å; Y108-F153 HydrophobicContact CE2-CD2 4.17Å; Y108-F153 HydrophobicContact CG-CB 4.39Å; G112-F153 VanDerWaalsContact CA-CD1 3.46Å; G112-F153 WeakPolarHBondContact O-CE1 3.17Å; P113-F153 HydrophobicContact CG-CE2 3.83Å; P113-F153 HydrophobicContact CG-CZ 4.05Å; E116-F153 HydrophobicContact CB-CE1 3.96Å; E116-F153 HydrophobicContact CB-CZ 4.3Å; E116-F153 HydrophobicContact CG-CE1 4.07Å; E116-F153 HydrophobicContact CG-CZ 4.39Å; E116-F153 WeakPolarHBondContact OE2-CZ 3.44Å; G149-F153 PolarHBondContact O-N 2.98Å; G149-F153 VanDerWaalsContact O-N 3.08Å; L150-F153 PolarHBondContact O-N 3.12Å; F153-T155 VanDerWaalsContact C-N 3.3Å; F153-T155 PolarHBondContact O-N 3.2Å; F153-Q156 PolarHBondContact O-N 3.39Å; F153-K157 HydrophobicContact CD1-CG 4.12Å; F153-K157 HydrophobicContact CE1-CG 3.73Å; F153-K157 HydrophobicContact CZ-CD 4.38Å; F153-K157 VanDerWaalsContact CZ-CE 3.41Å; F153-K157 HydrophobicContact CZ-CG 4.06Å; F153-K157 WeakPolarHBondContact O-CG 3.04Å; F153-K157 PolarHBondContact O-N 2.98Å
154V97.9Very high95Very high4 Ų431 Ų312%0.02418%0.176CC..Hα-helixtrans-61.2-41178.8170.60000110.9V6 L8 I119 I123 L150 G151 Q156 K157 L158V6-V154 HydrophobicContact CG1-CG1 4.41Å; L8-V154 HydrophobicContact CD2-CG2 4.29Å; I119-V154 HydrophobicContact CD1-CG2 4.44Å; I119-V154 HydrophobicContact CG2-CG1 4.46Å; I119-V154 HydrophobicContact CG2-CG2 4.01Å; I123-V154 HydrophobicContact CD1-CG1 4.09Å; L150-V154 HydrophobicContact CD1-CG2 4.14Å; L150-V154 HydrophobicContact CG-CG2 4.27Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.3Å; L150-V154 PolarHBondContact O-N 2.89Å; G151-V154 PolarHBondContact O-N 3.43Å; V154-Q156 VanDerWaalsContact C-N 3.35Å; V154-Q156 PolarHBondContact O-N 3.28Å; V154-K157 PolarHBondContact O-N 2.77Å; V154-L158 HydrophobicContact CG1-CD1 4.05Å; V154-L158 HydrophobicContact CG1-CG 4.38Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.26Å; V154-L158 PolarHBondContact O-N 3.43Å
155T98Very high95.3Very high0 Ų030.8 Ų30.80%017%0.172CC..Hα-helixtrans-61-43.8176.8-57.90000111.6I138 G151 A152 F153 K157 L158 Q159 N169 L194 S197I138-T155 HydrophobicContact CD1-CG2 4.1Å; G151-T155 WeakPolarHBondContact O-CB 3.27Å; G151-T155 PolarHBondContact O-N 2.93Å; G151-T155 PolarHBondContact O-OG1 3.01Å; A152-T155 PolarHBondContact O-N 2.89Å; F153-T155 VanDerWaalsContact C-N 3.3Å; F153-T155 PolarHBondContact O-N 3.2Å; T155-K157 PolarHBondContact O-N 3.28Å; T155-L158 PolarHBondContact O-N 2.98Å; T155-Q159 PolarHBondContact O-N 3.03Å; T155-N169 VanDerWaalsContact CG2-ND2 3.3Å; T155-N169 WeakPolarHBondContact CG2-ND2 3.46Å; T155-L194 HydrophobicContact CG2-CD2 3.88Å; T155-S197 WeakPolarHBondContact CG2-OG 3.2Å
156Q97.6Very high95.7Very high68 Ų6832.6 Ų32.632%0.31818%0.18SC..Hα-helixtrans-60.9-44.7175.1179.8175.5-19.700111.8Y108 A152 F153 V154 L158 Q159 D160Y108-Q156 PolarHBondContact OH-OE1 2.78Å; A152-Q156 PolarHBondContact O-N 3.26Å; F153-Q156 PolarHBondContact O-N 3.39Å; V154-Q156 VanDerWaalsContact C-N 3.35Å; V154-Q156 PolarHBondContact O-N 3.28Å; Q156-L158 VanDerWaalsContact C-N 3.3Å; Q156-L158 PolarHBondContact O-N 2.91Å; Q156-Q159 WeakPolarHBondContact O-CA 3.34Å; Q156-Q159 WeakPolarHBondContact O-CB 3.36Å; Q156-Q159 PolarHBondContact O-N 2.83Å; Q156-D160 PolarHBondContact O-N 3.4Å
157K97.8Very high95.9Very high43 Ų4332 Ų3219%0.18718%0.177CC..Hα-helixtrans-65.8-32.3177.7-64.8-58.6-176.4148.60113.4E116 M120 F153 V154 T155 Q159 D160 Q161E116-K157 VanDerWaalsContact CD-CE 3.46Å; E116-K157 HydrophobicContact CG-CG 4.39Å; E116-K157 WeakPolarHBondContact OE1-CD 3.28Å; E116-K157 VanDerWaalsContact OE1-CE 3.25Å; E116-K157 WeakPolarHBondContact OE1-CE 3.39Å; E116-K157 IonicContact OE1-NZ 2.8Å; E116-K157 PolarHBondContact OE1-NZ 2.97Å; E116-K157 VanDerWaalsContact OE2-CE 3.31Å; E116-K157 WeakPolarHBondContact OE2-CE 3.46Å; E116-K157 IonicContact OE2-NZ 3.01Å; E116-K157 PolarHBondContact OE2-NZ 3.2Å; M120-K157 HydrophobicContact CE-CB 4.15Å; M120-K157 HydrophobicContact SD-CB 3.96Å; F153-K157 HydrophobicContact CD1-CG 4.12Å; F153-K157 HydrophobicContact CE1-CG 3.73Å; F153-K157 HydrophobicContact CZ-CD 4.38Å; F153-K157 VanDerWaalsContact CZ-CE 3.41Å; F153-K157 HydrophobicContact CZ-CG 4.06Å; F153-K157 WeakPolarHBondContact O-CG 3.04Å; F153-K157 PolarHBondContact O-N 2.98Å; V154-K157 PolarHBondContact O-N 2.77Å; T155-K157 PolarHBondContact O-N 3.28Å; K157-Q159 VanDerWaalsContact C-N 3.33Å; K157-D160 PolarHBondContact O-N 3.26Å; K157-Q161 WeakPolarHBondContact O-CB 3.1Å; K157-Q161 WeakPolarHBondContact O-CG 3.41Å; K157-Q161 PolarHBondContact O-N 2.88Å
158L97.6Very high96.2Very high0 Ų031.9 Ų31.90%018%0.175CC..Hα-helixtrans-66.3-36.5170.6-69.8169.3000111.7V6 M120 I123 F136 I138 V154 T155 Q156 Y162 K167V6-L158 HydrophobicContact CG2-CD1 4.42Å; M120-L158 HydrophobicContact CE-CD2 3.82Å; M120-L158 HydrophobicContact CE-CG 4.31Å; I123-L158 HydrophobicContact CD1-CD2 4.08Å; I123-L158 HydrophobicContact CG2-CD2 3.92Å; F136-L158 HydrophobicContact CB-CD1 4.48Å; F136-L158 HydrophobicContact CD1-CD1 4.42Å; F136-L158 HydrophobicContact CD1-CD2 4.17Å; F136-L158 HydrophobicContact CD2-CD2 4.34Å; F136-L158 HydrophobicContact CE1-CD2 3.9Å; F136-L158 HydrophobicContact CE2-CD2 4.08Å; F136-L158 HydrophobicContact CG-CD1 4.24Å; F136-L158 HydrophobicContact CG-CD2 4.38Å; F136-L158 HydrophobicContact CZ-CD2 3.84Å; I138-L158 HydrophobicContact CD1-CD1 3.8Å; I138-L158 HydrophobicContact CG1-CD1 4.38Å; V154-L158 HydrophobicContact CG1-CD1 4.05Å; V154-L158 HydrophobicContact CG1-CG 4.38Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.26Å; V154-L158 PolarHBondContact O-N 3.43Å; T155-L158 PolarHBondContact O-N 2.98Å; Q156-L158 VanDerWaalsContact C-N 3.3Å; Q156-L158 PolarHBondContact O-N 2.91Å; L158-Y162 HydrophobicContact CD2-CD2 3.93Å; L158-Y162 HydrophobicContact CD2-CE2 4.19Å; L158-Y162 CarbonylContact O-C 3.46Å; L158-Y162 WeakPolarHBondContact O-CA 3.39Å; L158-Y162 WeakPolarHBondContact O-CB 3.4Å; L158-Y162 PolarHBondContact O-N 3.47Å; L158-K167 WeakPolarHBondContact O-CE 3.42Å
159Q96Very high96.3Very high56 Ų5631.9 Ų31.926%0.26218%0.175SC..Hα-helixtrans-64.6-41.7173.2-17756.135.400111.8T155 Q156 K157 S163T155-Q159 PolarHBondContact O-N 3.03Å; Q156-Q159 WeakPolarHBondContact O-CA 3.34Å; Q156-Q159 WeakPolarHBondContact O-CB 3.36Å; Q156-Q159 PolarHBondContact O-N 2.83Å; K157-Q159 VanDerWaalsContact C-N 3.33Å; Q159-S163 WeakPolarHBondContact O-CA 3.42Å; Q159-S163 PolarHBondContact O-N 3.14Å
160D95.6Very high96.4Very high98 Ų9831.9 Ų31.952%0.52418%0.175SC..Hα-helixtrans-67.1-45.3179.7-62.8-22000112.3Q156 K157Q156-D160 PolarHBondContact O-N 3.4Å; K157-D160 PolarHBondContact O-N 3.26Å
161Q95.9Very high96.4Very high93 Ų9331.9 Ų31.944%0.43518%0.175SC..Hα-helixtrans-87.2-33-174.2-65.8-175.911.800114M120 K157M120-Q161 HydrophobicContact CE-CB 4.41Å; M120-Q161 HydrophobicContact CE-CG 4.3Å; K157-Q161 WeakPolarHBondContact O-CB 3.1Å; K157-Q161 WeakPolarHBondContact O-CG 3.41Å; K157-Q161 PolarHBondContact O-N 2.88Å
162Y95.6Very high96.4Very high37 Ų3731.9 Ų31.915%0.14518%0.175CC..  trans-121.551.3-175.8-60.2-86.3000110.9M120 Q124 V127 F136 L158 S164 S165 K167M120-Y162 HydrophobicContact CE-CE2 4.24Å; Q124-Y162 WeakPolarHBondContact CA-OH 3.33Å; Q124-Y162 WeakPolarHBondContact CB-OH 3.39Å; V127-Y162 HydrophobicContact CB-CE1 4.49Å; V127-Y162 HydrophobicContact CG1-CE1 4.01Å; V127-Y162 HydrophobicContact CG2-CE1 4.31Å; F136-Y162 HydrophobicContact CE2-CD1 4.33Å; F136-Y162 AromaticContact CE2-CD2 3.96Å; F136-Y162 HydrophobicContact CE2-CD2 3.96Å; F136-Y162 AromaticContact CE2-CG 3.73Å; F136-Y162 HydrophobicContact CE2-CG 3.73Å; F136-Y162 HydrophobicContact CZ-CD1 4.1Å; F136-Y162 AromaticContact CZ-CD2 3.76Å; F136-Y162 HydrophobicContact CZ-CD2 3.76Å; F136-Y162 HydrophobicContact CZ-CE1 4.44Å; F136-Y162 HydrophobicContact CZ-CE2 4.13Å; F136-Y162 AromaticContact CZ-CG 3.75Å; F136-Y162 HydrophobicContact CZ-CG 3.75Å; L158-Y162 HydrophobicContact CD2-CD2 3.93Å; L158-Y162 HydrophobicContact CD2-CE2 4.19Å; L158-Y162 CarbonylContact O-C 3.46Å; L158-Y162 WeakPolarHBondContact O-CA 3.39Å; L158-Y162 WeakPolarHBondContact O-CB 3.4Å; L158-Y162 PolarHBondContact O-N 3.47Å; Y162-S164 PolarHBondContact O-N 2.62Å; Y162-S164 VanDerWaalsContact O-N 3.11Å; Y162-S165 PolarHBondContact O-N 2.61Å; Y162-K167 WeakPolarHBondContact O-CE 3.32Å; Y162-K167 PolarHBondContact O-NZ 3.41Å
163S91.8Very high96.3Very high87 Ų8732.7 Ų32.761%0.60818%0.178SC*.THydrogen-bonded Turntrans-56.5-29.2-173.559.90000114.5Q159Q159-S163 WeakPolarHBondContact O-CA 3.42Å; Q159-S163 PolarHBondContact O-N 3.14Å
164S91.1Very high96.1Very high113 Ų11332.1 Ų32.179%0.7918%0.175SC*.THydrogen-bonded Turntrans-80.5-16.5177.760.40000114.8Y162Y162-S164 PolarHBondContact O-N 2.62Å; Y162-S164 VanDerWaalsContact O-N 3.11Å
165S94.5Very high95.9Very high12 Ų1233.5 Ų33.58%0.08418%0.181CC..SBendtrans-91.8145-177.8-61.40000110.6L133 Y162 K167L133-S165 WeakPolarHBondContact CD2-OG 3.47Å; Y162-S165 PolarHBondContact O-N 2.61Å; S165-K167 WeakPolarHBondContact O-CD 3.19Å; S165-K167 WeakPolarHBondContact O-CE 3.24Å; S165-K167 PolarHBondContact O-NZ 3.12Å
166L95.9Very high95.3Very high41 Ų4140.4 Ų40.422%0.21521%0.207CC..EExtended strand (participates in β ladder)trans-78146.6-177.3-61.5173.8000112S134 G135 F136 D199 L256 M260S134-L166 PolarHBondContact O-N 3.4Å; G135-L166 CarbonylContact C-O 3.59Å; G135-L166 WeakPolarHBondContact CA-O 3.46Å; F136-L166 PolarHBondContact N-O 3.26Å; L166-D199 WeakPolarHBondContact CA-OD2 3.45Å; L166-L256 HydrophobicContact CB-CB 4.35Å; L166-L256 HydrophobicContact CD1-CB 4.09Å; L166-M260 HydrophobicContact CB-CE 3.79Å; L166-M260 HydrophobicContact CB-SD 3.76Å; L166-M260 HydrophobicContact CD1-SD 3.78Å; L166-M260 HydrophobicContact CD2-SD 3.62Å; L166-M260 HydrophobicContact CG-SD 3.9Å
167K97.1Very high94.5Very high0 Ų043.4 Ų43.40%023%0.23CC..EExtended strand (participates in β ladder)trans-123.8108.9176.5-62.292.8-175173.20110.4F136 I138 L158 Y162 S165 D199 A200F136-K167 HydrophobicContact CD2-CG 4.36Å; I138-K167 HydrophobicContact CD1-CB 4.35Å; I138-K167 HydrophobicContact CD1-CG 4.49Å; L158-K167 WeakPolarHBondContact O-CE 3.42Å; Y162-K167 WeakPolarHBondContact O-CE 3.32Å; Y162-K167 PolarHBondContact O-NZ 3.41Å; S165-K167 WeakPolarHBondContact O-CD 3.19Å; S165-K167 WeakPolarHBondContact O-CE 3.24Å; S165-K167 PolarHBondContact O-NZ 3.12Å; K167-D199 PolarHBondContact N-OD2 2.76Å; K167-D199 PolarHBondContact O-N 2.81Å; K167-A200 PolarHBondContact O-N 3.11Å
168M97.6Very high93.5Very high2 Ų243.1 Ų43.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-106.6114.2172.2-176.4173.3-78.100109.5F136 F137 I138 A200 F239 L256 L259 M260 L272F136-M168 PolarHBondContact O-N 2.81Å; F137-M168 HydrophobicContact CD2-CB 4.32Å; F137-M168 HydrophobicContact CD2-CG 4.26Å; F137-M168 HydrophobicContact CE2-CG 4.42Å; I138-M168 PolarHBondContact N-O 2.8Å; M168-A200 WeakPolarHBondContact CA-O 3.26Å; M168-A200 HydrophobicContact CE-CB 3.97Å; M168-A200 HydrophobicContact CG-CB 4.33Å; M168-F239 HydrophobicContact SD-CE1 4.29Å; M168-F239 HydrophobicContact SD-CZ 4.04Å; M168-L256 HydrophobicContact CB-CD2 4.12Å; M168-L256 HydrophobicContact CE-CD2 4.29Å; M168-L256 HydrophobicContact SD-CD2 3.94Å; M168-L259 HydrophobicContact CE-CB 3.95Å; M168-L259 HydrophobicContact CE-CD1 3.91Å; M168-L259 HydrophobicContact SD-CD1 4.23Å; M168-M260 HydrophobicContact CB-CE 3.86Å; M168-M260 HydrophobicContact CE-CE 4.17Å; M168-M260 HydrophobicContact CE-CG 4.45Å; M168-L272 HydrophobicContact CE-CD1 4.36Å
169N98Very high92.6Very high0 Ų047.2 Ų47.20%026%0.258CS..EExtended strand (participates in β ladder)trans-94.7112.7177-88.2-82.5000110.3I138 M140 T155 I171 L194 S198 A200 L201 L202I138-N169 VanDerWaalsContact CB-OD1 3.25Å; I138-N169 WeakPolarHBondContact CB-OD1 3.41Å; I138-N169 WeakPolarHBondContact CG2-OD1 3.17Å; I138-N169 CarbonylContact O-C 3.45Å; I138-N169 WeakPolarHBondContact O-CA 3.41Å; M140-N169 PolarHBondContact SD-OD1 2.84Å; T155-N169 VanDerWaalsContact CG2-ND2 3.3Å; T155-N169 WeakPolarHBondContact CG2-ND2 3.46Å; N169-I171 HydrophobicContact CB-CG2 4.22Å; N169-L194 HydrophobicContact CB-CD1 4.43Å; N169-S198 PolarHBondContact ND2-OG 2.93Å; N169-A200 PolarHBondContact N-O 3.14Å; N169-L201 HydrophobicContact CB-CD2 3.87Å; N169-L201 CarbonylContact O-C 3.3Å; N169-L201 WeakPolarHBondContact O-CA 3.31Å; N169-L202 PolarHBondContact O-N 2.79Å
170Q97.6Very high92.2Very high0 Ų046.4 Ų46.40%026%0.257CS..EExtended strand (participates in β ladder)trans-79.3116.3161.3-174.9-167.715.600109.4F137 I138 M140 L202 L235F137-Q170 HydrophobicContact CE2-CB 3.75Å; F137-Q170 HydrophobicContact CZ-CB 3.66Å; F137-Q170 HydrophobicContact CZ-CG 4.41Å; I138-Q170 PolarHBondContact O-N 2.48Å; M140-Q170 PolarHBondContact N-O 3.35Å; Q170-L202 WeakPolarHBondContact CA-O 3.47Å; Q170-L235 VanDerWaalsContact CD-CD1 3.42Å
171I96.8Very high91.8Very high0 Ų047.1 Ų47.10%026%0.26CS..EExtended strand (participates in β ladder)trans-114131.5179.265.2-178000111.4M140 M142 N169 L191 L194 L202 I203 H204M140-I171 HydrophobicContact CG-CG2 4.05Å; M140-I171 WeakPolarHBondContact O-CA 3.37Å; M142-I171 HydrophobicContact CG-CB 4.1Å; M142-I171 HydrophobicContact CG-CD1 4.37Å; M142-I171 HydrophobicContact SD-CB 4.23Å; M142-I171 HydrophobicContact SD-CD1 3.66Å; M142-I171 HydrophobicContact SD-CG1 4.09Å; N169-I171 HydrophobicContact CB-CG2 4.22Å; I171-L191 HydrophobicContact CD1-CD2 3.37Å; I171-L194 HydrophobicContact CG2-CD1 3.58Å; I171-L202 PolarHBondContact N-O 3.01Å; I171-I203 HydrophobicContact CD1-CD1 3.7Å; I171-I203 HydrophobicContact CD1-CG1 3.72Å; I171-I203 HydrophobicContact CG1-CB 4.22Å; I171-I203 HydrophobicContact CG1-CD1 4.29Å; I171-I203 HydrophobicContact CG1-CG1 3.76Å; I171-I203 HydrophobicContact CG1-CG2 4.25Å; I171-H204 PolarHBondContact O-N 3.47Å
172I96.7Very high91.7Very high0 Ų043.1 Ų43.10%024%0.242CC..EExtended strand (participates in β ladder)trans-92.9110.9172.5-52.2-52.5000109.1I15 M140 M142 H204 N206 L231I15-I172 HydrophobicContact CD1-CD1 3.65Å; I15-I172 HydrophobicContact CD1-CG1 3.41Å; I15-I172 VanDerWaalsContact CD1-CG1 3.41Å; M140-I172 PolarHBondContact O-N 2.81Å; M142-I172 PolarHBondContact N-O 2.93Å; I172-H204 HydrophobicContact CD1-CB 3.99Å; I172-N206 WeakPolarHBondContact CG2-OD1 3.22Å; I172-L231 HydrophobicContact CD1-CD1 3.82Å; I172-L231 HydrophobicContact CD1-CD2 4.46Å
173W95.2Very high91.6Very high17 Ų1741.7 Ų41.76%0.06424%0.236CC..EExtended strand (participates in β ladder)trans-76.2129.8177.4-160.7-72.6000109.8M142 L191 I203 H204 E205 N206 P405 L406 L409M142-W173 HydrophobicContact CE-CD2 4.03Å; M142-W173 HydrophobicContact CE-CE3 3.86Å; M142-W173 HydrophobicContact CE-CZ3 4.12Å; M142-W173 HydrophobicContact SD-CB 4.46Å; M142-W173 HydrophobicContact SD-CD2 4.08Å; M142-W173 HydrophobicContact SD-CE3 3.67Å; M142-W173 HydrophobicContact SD-CG 4.44Å; M142-W173 HydrophobicContact SD-CZ3 4.29Å; W173-L191 HydrophobicContact CH2-CD1 3.76Å; W173-L191 HydrophobicContact CZ3-CD1 3.71Å; W173-L191 HydrophobicContact CZ3-CD2 4.44Å; W173-I203 HydrophobicContact CB-CG2 4.37Å; W173-I203 HydrophobicContact CD2-CG2 4.48Å; W173-I203 HydrophobicContact CE3-CD1 4.41Å; W173-I203 HydrophobicContact CE3-CG2 3.63Å; W173-I203 HydrophobicContact CZ3-CD1 4.15Å; W173-I203 HydrophobicContact CZ3-CG2 4.3Å; W173-H204 WeakPolarHBondContact CB-O 3.49Å; W173-H204 PolarHBondContact N-O 3.23Å; W173-E205 HydrophobicContact CB-CB 4.39Å; W173-E205 HydrophobicContact CB-CG 3.78Å; W173-E205 HydrophobicContact CG-CG 4.01Å; W173-N206 WeakPolarHBondContact O-CB 3.31Å; W173-N206 PolarHBondContact O-N 3.17Å; W173-N206 VanDerWaalsContact O-N 3.13Å; W173-P405 HydrophobicContact CZ2-CB 4.23Å; W173-L406 HydrophobicContact CH2-CB 4Å; W173-L406 HydrophobicContact CH2-CD1 3.89Å; W173-L409 HydrophobicContact CH2-CD2 3.93Å; W173-L409 HydrophobicContact CZ2-CB 3.88Å; W173-L409 HydrophobicContact CZ2-CD2 3.49Å; W173-L409 VanDerWaalsContact CZ2-CD2 3.49Å; W173-L409 HydrophobicContact CZ2-CG 4.28Å
174P93.8Very high91.7Very high3 Ų338.5 Ų38.52%0.01921%0.213CC..PPolyproline II helixtrans-69.1165.4-173.628.3-36.1000113.3A143A143-P174 HydrophobicContact CB-CB 3.66Å; A143-P174 HydrophobicContact CB-CG 4.05Å
175Y93.1Very high91.9Very high34 Ų3433.1 Ų33.113%0.13318%0.175CC..PPolyproline II helixtrans-62.2139.4173.1-70.1-83.8000111.6T177 G178 E179 Q183 N206 D207 H210 F224 L227Y175-T177 PolarHBondContact O-N 3.01Å; Y175-G178 PolarHBondContact O-N 2.7Å; Y175-G178 VanDerWaalsContact O-N 3.1Å; Y175-E179 HydrophobicContact CD2-CG 3.75Å; Y175-E179 WeakPolarHBondContact CD2-OE1 3.23Å; Y175-E179 VanDerWaalsContact CE2-OE1 3.27Å; Y175-E179 WeakPolarHBondContact CE2-OE1 3.22Å; Y175-Q183 PolarHBondContact O-NE2 2.74Å; Y175-N206 HydrophobicContact CD1-CB 4Å; Y175-N206 HydrophobicContact CD2-CB 3.89Å; Y175-N206 HydrophobicContact CE1-CB 3.82Å; Y175-N206 HydrophobicContact CE2-CB 3.72Å; Y175-N206 HydrophobicContact CG-CB 4.04Å; Y175-D207 WeakPolarHBondContact CA-OD2 3.29Å; Y175-H210 HydrophobicContact CE1-CB 4.07Å; Y175-H210 PolarHBondContact OH-CD2 3Å; Y175-F224 HydrophobicContact CE2-CE1 4.44Å; Y175-L227 VanDerWaalsContact OH-CD1 3.24Å; Y175-L227 WeakPolarHBondContact OH-CD1 3.47Å
176R86.2Confident92Very high145 Ų14532.6 Ų32.655%0.54717%0.171SC..THydrogen-bonded Turntrans-64.1-26.5179.5-166.8172.9-173.1-155.1-7.7113.3G178 D207 M408 K412R176-G178 VanDerWaalsContact C-N 3.28Å; R176-D207 WeakPolarHBondContact CB-OD2 3.46Å; R176-D207 PolarHBondContact N-OD2 3.2Å; R176-M408 VanDerWaalsContact CZ-SD 3.52Å; R176-M408 PolarHBondContact NH2-SD 2.98Å; R176-K412 PolarHBondContact O-NZ 3Å
177T81.3Confident92Very high130 Ų13030.6 Ų30.680%0.79816%0.161SC*.THydrogen-bonded Turntrans-74.2-16.5177.149.30000113.5Y175Y175-T177 PolarHBondContact O-N 3.01Å
178G75.7Confident92Very high38 Ų3830.6 Ų30.639%0.39216%0.161SC..  trans93.5119.8-17600000113.1Y175 R176Y175-G178 PolarHBondContact O-N 2.7Å; Y175-G178 VanDerWaalsContact O-N 3.1Å; R176-G178 VanDerWaalsContact C-N 3.28Å
179E80.3Confident92Very high86 Ų8630.5 Ų30.540%0.40216%0.16SC..SBendtrans-95-34.5164.9-63.6-179.3138.400111Y175Y175-E179 HydrophobicContact CD2-CG 3.75Å; Y175-E179 WeakPolarHBondContact CD2-OE1 3.23Å; Y175-E179 VanDerWaalsContact CE2-OE1 3.27Å; Y175-E179 WeakPolarHBondContact CE2-OE1 3.22Å
180V86Confident92Very high39 Ų3930.5 Ų30.524%0.23616%0.16CC..SBendtrans-134.8141.7-179.6-1730000108.8N102 V182 Q183N102-V180 HydrophobicContact CB-CG1 3.89Å; V180-V182 VanDerWaalsContact C-N 3.26Å; V180-V182 HydrophobicContact CG1-CG2 3.96Å; V180-V182 PolarHBondContact O-N 3.07Å; V180-Q183 HydrophobicContact CB-CB 4.34Å; V180-Q183 VanDerWaalsContact O-CB 3.29Å; V180-Q183 WeakPolarHBondContact O-CB 3.35Å; V180-Q183 VanDerWaalsContact O-CG 3.24Å; V180-Q183 WeakPolarHBondContact O-CG 3.25Å; V180-Q183 PolarHBondContact O-N 2.95Å; V180-Q183 VanDerWaalsContact O-N 3.15Å
181I88.4Confident91.9Very high113 Ų11330.5 Ų30.558%0.57916%0.16SC*.THydrogen-bonded Turntrans-58.1-39.5-177.4-61169.4000111.9Q183 M416 Y422I181-Q183 VanDerWaalsContact C-N 3.35Å; I181-M416 WeakPolarHBondContact O-CE 3.45Å; I181-Y422 HydrophobicContact CG2-CD2 4Å; I181-Y422 HydrophobicContact CG2-CE1 4.24Å; I181-Y422 HydrophobicContact CG2-CE2 3.35Å; I181-Y422 VanDerWaalsContact CG2-CZ 3.49Å
182V92.4Very high91.9Very high9 Ų930.5 Ų30.56%0.05516%0.16CC..THydrogen-bonded Turntrans-91.48.6-176.8-57.80000113.9N102 V180 N184 Y185 N186 Y422 Y426N102-V182 WeakPolarHBondContact O-CG2 3.43Å; V180-V182 VanDerWaalsContact C-N 3.26Å; V180-V182 HydrophobicContact CG1-CG2 3.96Å; V180-V182 PolarHBondContact O-N 3.07Å; V182-N184 PolarHBondContact O-N 2.79Å; V182-N184 VanDerWaalsContact O-N 3.12Å; V182-Y185 PolarHBondContact O-N 2.89Å; V182-N186 PolarHBondContact O-N 3.31Å; V182-N186 VanDerWaalsContact O-N 3.14Å; V182-Y422 HydrophobicContact CG1-CD1 4.4Å; V182-Y422 HydrophobicContact CG1-CG 4.05Å; V182-Y426 HydrophobicContact CB-CE2 4.43Å; V182-Y426 WeakPolarHBondContact CB-OH 3.23Å; V182-Y426 PolarHBondContact O-OH 2.75Å
183Q94.1Very high92Very high7 Ų731.9 Ų31.93%0.03317%0.167CC..Hα-helixtrans-59-31.8-172.772.7175.329.400113.7A143 Y175 V180 I181 N186 S187A143-Q183 HydrophobicContact CB-CB 3.88Å; Y175-Q183 PolarHBondContact O-NE2 2.74Å; V180-Q183 HydrophobicContact CB-CB 4.34Å; V180-Q183 VanDerWaalsContact O-CB 3.29Å; V180-Q183 WeakPolarHBondContact O-CB 3.35Å; V180-Q183 VanDerWaalsContact O-CG 3.24Å; V180-Q183 WeakPolarHBondContact O-CG 3.25Å; V180-Q183 PolarHBondContact O-N 2.95Å; V180-Q183 VanDerWaalsContact O-N 3.15Å; I181-Q183 VanDerWaalsContact C-N 3.35Å; Q183-N186 PolarHBondContact O-N 3.02Å; Q183-S187 VanDerWaalsContact O-CB 3.23Å; Q183-S187 WeakPolarHBondContact O-CB 3.47Å; Q183-S187 PolarHBondContact O-N 2.87Å; Q183-S187 PolarHBondContact O-OG 2.95Å
184N94.8Very high92.1Very high20 Ų2031.1 Ų31.111%0.10716%0.164CC..Hα-helixtrans-69.4-42-176-58.5-39000109.7V182 S187 I188 L409 A413 M416V182-N184 PolarHBondContact O-N 2.79Å; V182-N184 VanDerWaalsContact O-N 3.12Å; N184-S187 PolarHBondContact O-N 3.46Å; N184-I188 WeakPolarHBondContact O-CG2 3.25Å; N184-I188 PolarHBondContact O-N 3.37Å; N184-L409 HydrophobicContact CB-CD1 4.1Å; N184-A413 HydrophobicContact CB-CB 3.96Å; N184-M416 HydrophobicContact CB-SD 4.07Å; N184-M416 PolarHBondContact ND2-SD 3.2Å; N184-M416 VanDerWaalsContact ND2-SD 3.43Å
185Y95.8Very high92.2Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-64.2-44.7172-69.9-34.1000112.9V182 S187 I188 L189 A413 M416 F417 A421 Y426 F436V182-Y185 PolarHBondContact O-N 2.89Å; Y185-S187 PolarHBondContact O-N 2.87Å; Y185-I188 HydrophobicContact CD1-CD1 3.94Å; Y185-I188 VanDerWaalsContact O-CG1 3.29Å; Y185-I188 WeakPolarHBondContact O-CG1 3.23Å; Y185-I188 PolarHBondContact O-N 2.82Å; Y185-L189 WeakPolarHBondContact O-CB 3.35Å; Y185-L189 WeakPolarHBondContact O-CD1 3.38Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.39Å; Y185-L189 PolarHBondContact O-N 3.2Å; Y185-L189 VanDerWaalsContact O-N 3.13Å; Y185-A413 HydrophobicContact CD1-CB 4.38Å; Y185-M416 HydrophobicContact CD2-CE 4.17Å; Y185-M416 HydrophobicContact CE1-CB 4.04Å; Y185-M416 HydrophobicContact CE2-CB 4.35Å; Y185-M416 HydrophobicContact CE2-CE 3.99Å; Y185-M416 WeakPolarHBondContact OH-CB 3.39Å; Y185-M416 PolarHBondContact OH-O 3.36Å; Y185-M416 VanDerWaalsContact OH-O 3.12Å; Y185-F417 HydrophobicContact CE1-CB 4.04Å; Y185-F417 WeakPolarHBondContact OH-CA 3.48Å; Y185-F417 PolarHBondContact OH-N 2.91Å; Y185-A421 WeakPolarHBondContact CE2-O 3.15Å; Y185-A421 PolarHBondContact OH-O 3.47Å; Y185-Y426 WeakPolarHBondContact CB-OH 3.22Å; Y185-Y426 HydrophobicContact CD2-CD2 4.49Å; Y185-Y426 AromaticContact CD2-CE2 3.75Å; Y185-Y426 HydrophobicContact CD2-CE2 3.75Å; Y185-Y426 HydrophobicContact CG-CE2 4.43Å; Y185-F436 HydrophobicContact CD1-CD1 4.08Å; Y185-F436 AromaticContact CD1-CE1 3.78Å; Y185-F436 HydrophobicContact CD1-CE1 3.78Å; Y185-F436 HydrophobicContact CD2-CE1 4.42Å; Y185-F436 HydrophobicContact CE1-CD1 4.38Å; Y185-F436 HydrophobicContact CE1-CE1 4.27Å; Y185-F436 AromaticContact CG-CE1 3.86Å; Y185-F436 HydrophobicContact CG-CE1 3.86Å
186N96.1Very high92.3Very high0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-57.9-40175.8-66.7-11.4000110.7N102 W104 M142 A143 G144 V182 Q183 T190 Y426N102-N186 PolarHBondContact O-ND2 3.36Å; W104-N186 HydrophobicContact CB-CB 4.23Å; W104-N186 VanDerWaalsContact CB-OD1 3.25Å; W104-N186 WeakPolarHBondContact CB-OD1 3.17Å; W104-N186 PolarHBondContact N-OD1 2.89Å; M142-N186 CarbonylContact O-C 3.47Å; M142-N186 WeakPolarHBondContact O-CB 3.32Å; A143-N186 PolarHBondContact O-ND2 3.44Å; G144-N186 PolarHBondContact O-ND2 3.18Å; V182-N186 PolarHBondContact O-N 3.31Å; V182-N186 VanDerWaalsContact O-N 3.14Å; Q183-N186 PolarHBondContact O-N 3.02Å; N186-T190 VanDerWaalsContact O-CB 3.22Å; N186-T190 WeakPolarHBondContact O-CB 3.39Å; N186-T190 PolarHBondContact O-N 3.49Å; N186-T190 PolarHBondContact O-OG1 2.76Å; N186-Y426 PolarHBondContact OD1-OH 2.88Å
187S96Very high92.7Very high0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-69.1-45.1-177.9-62.70000113.3M142 Q183 N184 Y185 L191M142-S187 VanDerWaalsContact CE-CB 3.48Å; M142-S187 PolarHBondContact O-N 3.09Å; Q183-S187 VanDerWaalsContact O-CB 3.23Å; Q183-S187 WeakPolarHBondContact O-CB 3.47Å; Q183-S187 PolarHBondContact O-N 2.87Å; Q183-S187 PolarHBondContact O-OG 2.95Å; N184-S187 PolarHBondContact O-N 3.46Å; Y185-S187 PolarHBondContact O-N 2.87Å; S187-L191 WeakPolarHBondContact O-CB 3.14Å; S187-L191 WeakPolarHBondContact O-CG 3.25Å; S187-L191 PolarHBondContact O-N 2.83Å
188I96.6Very high93.5Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-64.7-43.917868.9-173000111.1N184 Y185 T190 L191 S192 L409 A413 F436 F440 L443N184-I188 WeakPolarHBondContact O-CG2 3.25Å; N184-I188 PolarHBondContact O-N 3.37Å; Y185-I188 HydrophobicContact CD1-CD1 3.94Å; Y185-I188 VanDerWaalsContact O-CG1 3.29Å; Y185-I188 WeakPolarHBondContact O-CG1 3.23Å; Y185-I188 PolarHBondContact O-N 2.82Å; I188-T190 VanDerWaalsContact C-N 3.33Å; I188-T190 PolarHBondContact O-N 3.23Å; I188-L191 PolarHBondContact O-N 3.21Å; I188-S192 WeakPolarHBondContact O-CB 3.45Å; I188-S192 PolarHBondContact O-N 2.84Å; I188-L409 HydrophobicContact CG2-CG 4.34Å; I188-A413 HydrophobicContact CD1-CB 3.89Å; I188-A413 HydrophobicContact CG2-CB 3.7Å; I188-F436 HydrophobicContact CD1-CD1 4.18Å; I188-F440 HydrophobicContact CD1-CD1 4.29Å; I188-F440 HydrophobicContact CD1-CE1 3.61Å; I188-F440 HydrophobicContact CD1-CE2 4.07Å; I188-F440 HydrophobicContact CD1-CZ 3.47Å; I188-F440 VanDerWaalsContact CD1-CZ 3.47Å; I188-F440 HydrophobicContact CG2-CE1 4.43Å; I188-L443 HydrophobicContact CB-CD1 3.86Å; I188-L443 HydrophobicContact CG2-CD1 4.2Å
189L97.2Very high94.5Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-65.5-43.7-178-66.3168.8000109.8W104 Y185 S192 H193 Y426 M431 F436W104-L189 HydrophobicContact CB-CD1 4.32Å; W104-L189 HydrophobicContact CD2-CB 3.68Å; W104-L189 HydrophobicContact CD2-CD1 3.92Å; W104-L189 HydrophobicContact CD2-CG 4.43Å; W104-L189 HydrophobicContact CE3-CB 4.04Å; W104-L189 HydrophobicContact CE3-CD1 3.71Å; W104-L189 HydrophobicContact CE3-CG 4.4Å; W104-L189 HydrophobicContact CG-CB 4.07Å; W104-L189 HydrophobicContact CG-CD1 4.19Å; W104-L189 HydrophobicContact CH2-CB 4.38Å; W104-L189 HydrophobicContact CZ2-CB 4.02Å; W104-L189 HydrophobicContact CZ3-CB 4.39Å; W104-L189 HydrophobicContact CZ3-CD1 4.39Å; Y185-L189 WeakPolarHBondContact O-CB 3.35Å; Y185-L189 WeakPolarHBondContact O-CD1 3.38Å; Y185-L189 VanDerWaalsContact O-CG 3.23Å; Y185-L189 WeakPolarHBondContact O-CG 3.39Å; Y185-L189 PolarHBondContact O-N 3.2Å; Y185-L189 VanDerWaalsContact O-N 3.13Å; L189-S192 PolarHBondContact O-N 2.85Å; L189-H193 PolarHBondContact O-N 2.83Å; L189-H193 VanDerWaalsContact O-N 3.08Å; L189-H193 PolarHBondContact O-ND1 3.47Å; L189-Y426 HydrophobicContact CD1-CD1 3.98Å; L189-Y426 HydrophobicContact CD1-CE1 3.87Å; L189-M431 HydrophobicContact CD1-CE 3.45Å; L189-M431 VanDerWaalsContact CD1-CE 3.45Å; L189-M431 HydrophobicContact CD1-SD 4.39Å; L189-M431 HydrophobicContact CD2-CE 3.67Å; L189-M431 HydrophobicContact CG-CE 4.2Å; L189-F436 HydrophobicContact CD1-CE1 3.91Å; L189-F436 HydrophobicContact CD1-CZ 4.17Å; L189-F436 HydrophobicContact CD2-CD1 4.26Å; L189-F436 HydrophobicContact CD2-CE1 4.36Å; L189-F436 HydrophobicContact CG-CE1 4.34Å
190T97.4Very high95.3Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-60.2-53.9176-57.70000111.6W104 M140 M142 S148 N186 I188 S192 H193 L194W104-T190 PolarHBondContact NE1-OG1 2.91Å; M140-T190 HydrophobicContact CE-CG2 3.57Å; M142-T190 HydrophobicContact CG-CG2 4.29Å; S148-T190 VanDerWaalsContact CB-OG1 3.23Å; S148-T190 WeakPolarHBondContact CB-OG1 3.5Å; N186-T190 VanDerWaalsContact O-CB 3.22Å; N186-T190 WeakPolarHBondContact O-CB 3.39Å; N186-T190 PolarHBondContact O-N 3.49Å; N186-T190 PolarHBondContact O-OG1 2.76Å; I188-T190 VanDerWaalsContact C-N 3.33Å; I188-T190 PolarHBondContact O-N 3.23Å; T190-S192 VanDerWaalsContact C-N 3.33Å; T190-S192 PolarHBondContact O-N 3.34Å; T190-H193 PolarHBondContact O-N 3.05Å; T190-L194 HydrophobicContact CG2-CD1 3.71Å; T190-L194 HydrophobicContact CG2-CG 4.14Å; T190-L194 WeakPolarHBondContact O-CB 3.36Å; T190-L194 VanDerWaalsContact O-CG 3.23Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.45Å
191L96.9Very high95.8Very high0 Ų018.1 Ų18.10%09%0.085CC..Hα-helixtrans-59.8-44.8-179.3-78.8174.7000111.7M142 I171 W173 S187 I188 H193 L194 Y195 L406 L409 L443M142-L191 HydrophobicContact CE-CD1 3.44Å; M142-L191 VanDerWaalsContact CE-CD1 3.44Å; M142-L191 HydrophobicContact CE-CD2 4.08Å; M142-L191 HydrophobicContact CE-CG 3.5Å; M142-L191 VanDerWaalsContact CE-CG 3.5Å; M142-L191 HydrophobicContact SD-CD1 4.38Å; M142-L191 HydrophobicContact SD-CD2 4.01Å; M142-L191 HydrophobicContact SD-CG 4.07Å; I171-L191 HydrophobicContact CD1-CD2 3.37Å; W173-L191 HydrophobicContact CH2-CD1 3.76Å; W173-L191 HydrophobicContact CZ3-CD1 3.71Å; W173-L191 HydrophobicContact CZ3-CD2 4.44Å; S187-L191 WeakPolarHBondContact O-CB 3.14Å; S187-L191 WeakPolarHBondContact O-CG 3.25Å; S187-L191 PolarHBondContact O-N 2.83Å; I188-L191 PolarHBondContact O-N 3.21Å; L191-H193 VanDerWaalsContact C-N 3.32Å; L191-H193 PolarHBondContact O-N 2.98Å; L191-L194 PolarHBondContact O-N 2.85Å; L191-Y195 WeakPolarHBondContact O-CB 3.31Å; L191-Y195 WeakPolarHBondContact O-CD2 3.45Å; L191-Y195 PolarHBondContact O-N 2.91Å; L191-L406 HydrophobicContact CD1-CD1 3.8Å; L191-L409 HydrophobicContact CD1-CD2 4.02Å; L191-L443 HydrophobicContact CB-CD1 4.16Å; L191-L443 HydrophobicContact CB-CD2 3.87Å
192S97Very high96.2Very high0 Ų012.8 Ų12.80%06%0.058CC..Hα-helixtrans-60.8-41-179.5-176.60000112.4I188 L189 T190 R196 S439I188-S192 WeakPolarHBondContact O-CB 3.45Å; I188-S192 PolarHBondContact O-N 2.84Å; L189-S192 PolarHBondContact O-N 2.85Å; T190-S192 VanDerWaalsContact C-N 3.33Å; T190-S192 PolarHBondContact O-N 3.34Å; S192-R196 PolarHBondContact OG-NH1 2.96Å; S192-R196 VanDerWaalsContact OG-NH1 3.08Å; S192-R196 PolarHBondContact OG-NH2 2.86Å; S192-S439 WeakPolarHBondContact OG-CA 3.39Å
193H97.3Very high96.5Very high29 Ų2912.7 Ų12.713%0.1346%0.057CC..Hα-helixtrans-73-39.3178.3-74.171.5000112W104 Y108 A152 L189 T190 L191 Y195 R196 S197W104-H193 AromaticContact CH2-CE1 3.42Å; W104-H193 VanDerWaalsContact CH2-CE1 3.42Å; W104-H193 WeakPolarHBondContact CH2-CE1 2.95Å; W104-H193 AromaticContact CH2-ND1 3.75Å; W104-H193 AromaticContact CH2-NE2 3.61Å; W104-H193 HydrophobicContact CZ2-CB 4.5Å; W104-H193 AromaticContact CZ2-CE1 3.81Å; W104-H193 AromaticContact CZ2-CG 3.85Å; W104-H193 AromaticContact CZ2-ND1 3.62Å; Y108-H193 AromaticContact CE2-CD2 3.86Å; Y108-H193 AromaticContact CZ-CD2 3.87Å; A152-H193 HydrophobicContact CB-CB 3.99Å; L189-H193 PolarHBondContact O-N 2.83Å; L189-H193 VanDerWaalsContact O-N 3.08Å; L189-H193 PolarHBondContact O-ND1 3.47Å; T190-H193 PolarHBondContact O-N 3.05Å; L191-H193 VanDerWaalsContact C-N 3.32Å; L191-H193 PolarHBondContact O-N 2.98Å; H193-Y195 VanDerWaalsContact C-N 3.35Å; H193-R196 PolarHBondContact O-N 3.34Å; H193-S197 PolarHBondContact O-N 2.86Å; H193-S197 VanDerWaalsContact O-N 3.16Å; H193-S197 PolarHBondContact O-OG 2.79Å
194L97.4Very high96.5Very high0 Ų012.8 Ų12.80%06%0.057CC..Hα-helixtrans-66.9-35.6177.5-69.1-177.7000112.1M140 T155 N169 I171 T190 L191 R196 S197 S198 L201M140-L194 HydrophobicContact CE-CD1 4.05Å; M140-L194 HydrophobicContact CE-CD2 4.4Å; M140-L194 HydrophobicContact SD-CD1 3.97Å; M140-L194 HydrophobicContact SD-CD2 4.12Å; T155-L194 HydrophobicContact CG2-CD2 3.88Å; N169-L194 HydrophobicContact CB-CD1 4.43Å; I171-L194 HydrophobicContact CG2-CD1 3.58Å; T190-L194 HydrophobicContact CG2-CD1 3.71Å; T190-L194 HydrophobicContact CG2-CG 4.14Å; T190-L194 WeakPolarHBondContact O-CB 3.36Å; T190-L194 VanDerWaalsContact O-CG 3.23Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.45Å; L191-L194 PolarHBondContact O-N 2.85Å; L194-R196 PolarHBondContact O-N 2.88Å; L194-S197 PolarHBondContact O-N 3.21Å; L194-S198 WeakPolarHBondContact O-CA 3.47Å; L194-S198 WeakPolarHBondContact O-CB 3.17Å; L194-S198 PolarHBondContact O-N 3.08Å; L194-S198 PolarHBondContact O-OG 3.17Å; L194-L201 HydrophobicContact CB-CD2 3.83Å; L194-L201 HydrophobicContact CD1-CD2 4.46Å
195Y96.1Very high96.6Very high15 Ų1513 Ų136%0.0596%0.057CC..Hα-helixtrans-59.3-35.7175.3-106.5-82.1000113.1L191 H193 L201 K270 M271 L442 L443 V446L191-Y195 WeakPolarHBondContact O-CB 3.31Å; L191-Y195 WeakPolarHBondContact O-CD2 3.45Å; L191-Y195 PolarHBondContact O-N 2.91Å; H193-Y195 VanDerWaalsContact C-N 3.35Å; Y195-L201 HydrophobicContact CD2-CD1 3.61Å; Y195-L201 HydrophobicContact CE2-CD1 3.64Å; Y195-L201 HydrophobicContact CG-CD1 4.15Å; Y195-K270 HydrophobicContact CD1-CD 4.43Å; Y195-K270 HydrophobicContact CE1-CB 4.32Å; Y195-K270 PolarHBondContact O-NZ 3.09Å; Y195-M271 HydrophobicContact CE2-CG 4.25Å; Y195-M271 HydrophobicContact CE2-SD 4.28Å; Y195-M271 VanDerWaalsContact OH-CE 3.24Å; Y195-M271 WeakPolarHBondContact OH-CE 3.49Å; Y195-M271 WeakPolarHBondContact OH-CG 3.4Å; Y195-M271 PolarHBondContact OH-SD 3.11Å; Y195-L442 HydrophobicContact CG-CD2 4.28Å; Y195-L443 HydrophobicContact CD2-CD2 4.2Å; Y195-L443 HydrophobicContact CE2-CD2 4.42Å; Y195-V446 HydrophobicContact CD1-CG2 4.07Å; Y195-V446 HydrophobicContact CE1-CG1 4.17Å; Y195-V446 HydrophobicContact CE1-CG2 3.71Å; Y195-V446 HydrophobicContact CE2-CG1 4.12Å; Y195-V446 HydrophobicContact CE2-CG2 4.27Å; Y195-V446 HydrophobicContact CG-CG2 4.49Å; Y195-V446 WeakPolarHBondContact OH-CG1 3.34Å
196R95Very high96.5Very high129 Ų12913.6 Ų13.649%0.4876%0.061SC..Hα-helixtrans-78.3-31178.2-64.4175.7-177.5123.61.7113S192 H193 L194 L442S192-R196 PolarHBondContact OG-NH1 2.96Å; S192-R196 VanDerWaalsContact OG-NH1 3.08Å; S192-R196 PolarHBondContact OG-NH2 2.86Å; H193-R196 PolarHBondContact O-N 3.34Å; L194-R196 PolarHBondContact O-N 2.88Å; R196-L442 HydrophobicContact CG-CD1 3.96Å
197S95.9Very high96.4Very high9 Ų915.7 Ų15.76%0.0637%0.072CC..Hα-helixtrans-110.5-11.2-169.257.10000115.5T155 H193 L194T155-S197 WeakPolarHBondContact CG2-OG 3.2Å; H193-S197 PolarHBondContact O-N 2.86Å; H193-S197 VanDerWaalsContact O-N 3.16Å; H193-S197 PolarHBondContact O-OG 2.79Å; L194-S197 PolarHBondContact O-N 3.21Å
198S96.7Very high96.2Very high1 Ų116.3 Ų16.31%0.0078%0.077CC..  trans-108.3151.7-179-480000112N169 L194 K270N169-S198 PolarHBondContact ND2-OG 2.93Å; L194-S198 WeakPolarHBondContact O-CA 3.47Å; L194-S198 WeakPolarHBondContact O-CB 3.17Å; L194-S198 PolarHBondContact O-N 3.08Å; L194-S198 PolarHBondContact O-OG 3.17Å; S198-K270 WeakPolarHBondContact O-CD 3.5Å; S198-K270 WeakPolarHBondContact O-CE 3.17Å; S198-K270 PolarHBondContact O-NZ 2.92Å
199D96.7Very high96.1Very high48 Ų4816.5 Ų16.526%0.2578%0.078SC..SBendtrans-85.2-34.7173.2-57.5-59.4000111.5L166 K167 M260 K270L166-D199 WeakPolarHBondContact CA-OD2 3.45Å; K167-D199 PolarHBondContact N-OD2 2.76Å; K167-D199 PolarHBondContact O-N 2.81Å; D199-M260 HydrophobicContact CB-CE 3.68Å; D199-M260 HydrophobicContact CB-SD 3.5Å; D199-M260 VanDerWaalsContact CB-SD 3.5Å; D199-K270 WeakPolarHBondContact O-CG 3.34Å
200A97Very high96Very high0 Ų019.8 Ų19.80%09%0.094CC..EExtended strand (participates in β ladder)trans-145.2146.4175.900000112.5K167 M168 N169 M260 V264 L272K167-A200 PolarHBondContact O-N 3.11Å; M168-A200 WeakPolarHBondContact CA-O 3.26Å; M168-A200 HydrophobicContact CE-CB 3.97Å; M168-A200 HydrophobicContact CG-CB 4.33Å; N169-A200 PolarHBondContact N-O 3.14Å; A200-M260 HydrophobicContact CB-CE 4.04Å; A200-M260 HydrophobicContact CB-CG 4.31Å; A200-V264 HydrophobicContact CB-CG2 4.13Å; A200-L272 HydrophobicContact CB-CD1 3.99Å
201L97.6Very high95.7Very high0 Ų025.1 Ų25.10%012%0.117CC..EExtended strand (participates in β ladder)trans-117.6107.1177.8-56.7-179.5000109.9N169 L194 Y195 I203 K270 L272N169-L201 HydrophobicContact CB-CD2 3.87Å; N169-L201 CarbonylContact O-C 3.3Å; N169-L201 WeakPolarHBondContact O-CA 3.31Å; L194-L201 HydrophobicContact CB-CD2 3.83Å; L194-L201 HydrophobicContact CD1-CD2 4.46Å; Y195-L201 HydrophobicContact CD2-CD1 3.61Å; Y195-L201 HydrophobicContact CE2-CD1 3.64Å; Y195-L201 HydrophobicContact CG-CD1 4.15Å; L201-I203 HydrophobicContact CB-CG1 4.38Å; L201-K270 HydrophobicContact CG-CB 4.49Å; L201-K270 PolarHBondContact N-O 2.98Å; L201-L272 PolarHBondContact O-N 2.78Å
202L97.3Very high95.5Very high2 Ų225.3 Ų25.31%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-91.6104.3177.6-167.168.6000110.4N169 Q170 I171 L235 L272 V274 V396N169-L202 PolarHBondContact O-N 2.79Å; Q170-L202 WeakPolarHBondContact CA-O 3.47Å; I171-L202 PolarHBondContact N-O 3.01Å; L202-L235 HydrophobicContact CD2-CD2 3.44Å; L202-L235 VanDerWaalsContact CD2-CD2 3.44Å; L202-L272 HydrophobicContact CD1-CB 3.74Å; L202-V274 HydrophobicContact CD1-CG2 3.37Å; L202-V274 HydrophobicContact CD2-CG2 4.25Å; L202-V274 HydrophobicContact CG-CG2 4.03Å; L202-V396 HydrophobicContact CD1-CG1 4.38Å
203I96.8Very high95.2Very high7 Ų725.3 Ų25.34%0.03612%0.117CC..EExtended strand (participates in β ladder)trans-99.5127.2-166.9-50.9-161000111I171 W173 L201 M271 L272 L402I171-I203 HydrophobicContact CD1-CD1 3.7Å; I171-I203 HydrophobicContact CD1-CG1 3.72Å; I171-I203 HydrophobicContact CG1-CB 4.22Å; I171-I203 HydrophobicContact CG1-CD1 4.29Å; I171-I203 HydrophobicContact CG1-CG1 3.76Å; I171-I203 HydrophobicContact CG1-CG2 4.25Å; W173-I203 HydrophobicContact CB-CG2 4.37Å; W173-I203 HydrophobicContact CD2-CG2 4.48Å; W173-I203 HydrophobicContact CE3-CD1 4.41Å; W173-I203 HydrophobicContact CE3-CG2 3.63Å; W173-I203 HydrophobicContact CZ3-CD1 4.15Å; W173-I203 HydrophobicContact CZ3-CG2 4.3Å; L201-I203 HydrophobicContact CB-CG1 4.38Å; I203-M271 HydrophobicContact CD1-CB 4.24Å; I203-M271 HydrophobicContact CD1-CG 3.7Å; I203-M271 HydrophobicContact CD1-SD 3.94Å; I203-L272 PolarHBondContact N-O 2.87Å; I203-L402 HydrophobicContact CB-CD1 3.81Å; I203-L402 HydrophobicContact CB-CD2 4.22Å; I203-L402 HydrophobicContact CD1-CD1 3.97Å; I203-L402 HydrophobicContact CG1-CD1 4.04Å; I203-L402 HydrophobicContact CG2-CD1 4.38Å; I203-L402 HydrophobicContact CG2-CD2 3.91Å
204H96Very high94.9Very high8 Ų825.9 Ų25.94%0.03713%0.127CC..EExtended strand (participates in β ladder)trans-123.1130.1171-63.380.7000110.8I171 I172 W173 L231 Q234I171-H204 PolarHBondContact O-N 3.47Å; I172-H204 HydrophobicContact CD1-CB 3.99Å; W173-H204 WeakPolarHBondContact CB-O 3.49Å; W173-H204 PolarHBondContact N-O 3.23Å; H204-L231 HydrophobicContact CB-CD2 3.52Å; H204-L231 WeakPolarHBondContact CD2-CD2 3.14Å; H204-L231 VanDerWaalsContact CG-CD2 3.45Å; H204-Q234 PolarHBondContact CD2-OE1 3.24Å
205E95.1Very high94.4Very high25 Ų2531.8 Ų31.812%0.11715%0.153CC..EExtended strand (participates in β ladder)trans-97.6123.8-179.8-71167.7-104.400112W173 D207 A208 V209 K308 L402W173-E205 HydrophobicContact CB-CB 4.39Å; W173-E205 HydrophobicContact CB-CG 3.78Å; W173-E205 HydrophobicContact CG-CG 4.01Å; E205-D207 VanDerWaalsContact C-N 3.26Å; E205-D207 PolarHBondContact O-N 3.12Å; E205-A208 HydrophobicContact CB-CB 4.08Å; E205-A208 WeakPolarHBondContact O-CA 3.33Å; E205-A208 WeakPolarHBondContact O-CB 3.27Å; E205-A208 PolarHBondContact O-N 3.39Å; E205-V209 WeakPolarHBondContact O-CG2 3.48Å; E205-V209 PolarHBondContact O-N 3.11Å; E205-K308 WeakPolarHBondContact OE1-CE 3.47Å; E205-K308 IonicContact OE1-NZ 3.84Å; E205-K308 PolarHBondContact OE1-NZ 3.47Å; E205-K308 IonicContact OE2-NZ 3.98Å; E205-K308 PolarHBondContact OE2-NZ 2.52Å; E205-L402 WeakPolarHBondContact OE1-CD2 3.24Å
206N94.7Very high93.8Very high12 Ų1231.6 Ų31.66%0.06415%0.153CC..Hα-helixtrans-54.2-42177.8-86.4-11.8000112.3I172 W173 Y175 A208 V209 H210I172-N206 WeakPolarHBondContact CG2-OD1 3.22Å; W173-N206 WeakPolarHBondContact O-CB 3.31Å; W173-N206 PolarHBondContact O-N 3.17Å; W173-N206 VanDerWaalsContact O-N 3.13Å; Y175-N206 HydrophobicContact CD1-CB 4Å; Y175-N206 HydrophobicContact CD2-CB 3.89Å; Y175-N206 HydrophobicContact CE1-CB 3.82Å; Y175-N206 HydrophobicContact CE2-CB 3.72Å; Y175-N206 HydrophobicContact CG-CB 4.04Å; N206-A208 VanDerWaalsContact C-N 3.25Å; N206-A208 PolarHBondContact O-N 3.34Å; N206-V209 PolarHBondContact O-N 3Å; N206-H210 WeakPolarHBondContact O-CB 3.12Å; N206-H210 PolarHBondContact O-N 3.34Å
207D93.6Very high93.2Very high44 Ų4427.8 Ų27.824%0.23514%0.141CC..Hα-helixtrans-59-34.7175.8-76.6-66.7000113.1Y175 R176 E205 K211Y175-D207 WeakPolarHBondContact CA-OD2 3.29Å; R176-D207 WeakPolarHBondContact CB-OD2 3.46Å; R176-D207 PolarHBondContact N-OD2 3.2Å; E205-D207 VanDerWaalsContact C-N 3.26Å; E205-D207 PolarHBondContact O-N 3.12Å; D207-K211 WeakPolarHBondContact O-CD 3.24Å; D207-K211 WeakPolarHBondContact O-CG 3.34Å; D207-K211 PolarHBondContact O-N 3.33Å
208A92.8Very high92.7Very high14 Ų1432.2 Ų32.212%0.11616%0.164CC..Hα-helixtrans-77.5-47.4-179.400000111.3E205 N206 H210 K211 I212 K308E205-A208 HydrophobicContact CB-CB 4.08Å; E205-A208 WeakPolarHBondContact O-CA 3.33Å; E205-A208 WeakPolarHBondContact O-CB 3.27Å; E205-A208 PolarHBondContact O-N 3.39Å; N206-A208 VanDerWaalsContact C-N 3.25Å; N206-A208 PolarHBondContact O-N 3.34Å; A208-H210 VanDerWaalsContact C-N 3.29Å; A208-H210 PolarHBondContact O-N 3.4Å; A208-K211 WeakPolarHBondContact O-CB 3.42Å; A208-K211 PolarHBondContact O-N 3.13Å; A208-K211 VanDerWaalsContact O-N 3.16Å; A208-I212 WeakPolarHBondContact O-CG1 3.43Å; A208-I212 PolarHBondContact O-N 3.31Å; A208-K308 HydrophobicContact CB-CB 4.33Å; A208-K308 HydrophobicContact CB-CD 3.36Å; A208-K308 HydrophobicContact CB-CG 4.47Å
209V94Very high92.3Very high3 Ų334.3 Ų34.32%0.01818%0.175CC..Hα-helixtrans-62.6-39.9177.2-176.50000110.6E205 N206 K211 I212 C213 L227 V230 L231E205-V209 WeakPolarHBondContact O-CG2 3.48Å; E205-V209 PolarHBondContact O-N 3.11Å; N206-V209 PolarHBondContact O-N 3Å; V209-K211 VanDerWaalsContact C-N 3.32Å; V209-K211 PolarHBondContact O-N 3.04Å; V209-I212 WeakPolarHBondContact O-CB 3.37Å; V209-I212 PolarHBondContact O-N 2.93Å; V209-I212 VanDerWaalsContact O-N 3.16Å; V209-C213 PolarHBondContact O-N 3.29Å; V209-C213 PolarHBondContact O-SG 3.09Å; V209-L227 HydrophobicContact CB-CD2 4.17Å; V209-L227 HydrophobicContact CG1-CB 4.11Å; V209-L227 HydrophobicContact CG1-CD2 3.76Å; V209-V230 HydrophobicContact CG1-CB 3.97Å; V209-V230 HydrophobicContact CG1-CG1 3.96Å; V209-L231 HydrophobicContact CG1-CG 4.24Å; V209-L231 HydrophobicContact CG2-CD2 3.69Å; V209-L231 HydrophobicContact CG2-CG 4.19Å
210H93.7Very high91.7Very high70 Ų7041.6 Ų41.632%0.32420%0.204SC..Hα-helixtrans-62.7-38.5175.5-171.5-70.8000112.2Y175 N206 A208 C213 A214 I222 L227Y175-H210 HydrophobicContact CE1-CB 4.07Å; Y175-H210 PolarHBondContact OH-CD2 3Å; N206-H210 WeakPolarHBondContact O-CB 3.12Å; N206-H210 PolarHBondContact O-N 3.34Å; A208-H210 VanDerWaalsContact C-N 3.29Å; A208-H210 PolarHBondContact O-N 3.4Å; H210-C213 PolarHBondContact O-N 2.85Å; H210-A214 WeakPolarHBondContact O-CB 3.32Å; H210-A214 PolarHBondContact O-N 3.13Å; H210-I222 VanDerWaalsContact CE1-CD1 3.41Å; H210-I222 WeakPolarHBondContact CE1-CD1 3.39Å; H210-L227 VanDerWaalsContact CA-CD2 3.43Å; H210-L227 HydrophobicContact CB-CD2 3.85Å
211K92.6Very high91.3Very high112 Ų11250 Ų5049%0.48724%0.243SC..Hα-helixtrans-65.8-38.4173.8-75.7169.2-173.6174.40112.2D207 A208 V209 A214 K215 M309D207-K211 WeakPolarHBondContact O-CD 3.24Å; D207-K211 WeakPolarHBondContact O-CG 3.34Å; D207-K211 PolarHBondContact O-N 3.33Å; A208-K211 WeakPolarHBondContact O-CB 3.42Å; A208-K211 PolarHBondContact O-N 3.13Å; A208-K211 VanDerWaalsContact O-N 3.16Å; V209-K211 VanDerWaalsContact C-N 3.32Å; V209-K211 PolarHBondContact O-N 3.04Å; K211-A214 PolarHBondContact O-N 2.97Å; K211-K215 WeakPolarHBondContact O-CB 3.25Å; K211-K215 PolarHBondContact O-N 3.08Å; K211-M309 HydrophobicContact CB-CE 4.12Å; K211-M309 HydrophobicContact CB-SD 3.94Å
212I91.4Very high91Very high3 Ų352 Ų522%0.01525%0.253CS..Hα-helixtrans-60.4-50.2173.5-71159.7000110A208 V209 A214 K215 Q216 M217 V230 M309A208-I212 WeakPolarHBondContact O-CG1 3.43Å; A208-I212 PolarHBondContact O-N 3.31Å; V209-I212 WeakPolarHBondContact O-CB 3.37Å; V209-I212 PolarHBondContact O-N 2.93Å; V209-I212 VanDerWaalsContact O-N 3.16Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.08Å; I212-K215 PolarHBondContact O-N 3.04Å; I212-Q216 HydrophobicContact CG2-CB 4.4Å; I212-Q216 WeakPolarHBondContact O-CA 3.48Å; I212-Q216 VanDerWaalsContact O-CB 3.32Å; I212-Q216 WeakPolarHBondContact O-CB 3.49Å; I212-Q216 PolarHBondContact O-N 3.22Å; I212-M217 PolarHBondContact O-N 3.01Å; I212-V230 HydrophobicContact CG2-CG1 3.86Å; I212-V230 HydrophobicContact CG2-CG2 4.42Å; I212-M309 HydrophobicContact CG1-CB 3.92Å; I212-M309 HydrophobicContact CG1-SD 4.13Å
213C92.1Very high90.8Very high0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-58.2-42.6176.7-66.90000112.6V209 H210 M217 N218 I219 I222V209-C213 PolarHBondContact O-N 3.29Å; V209-C213 PolarHBondContact O-SG 3.09Å; H210-C213 PolarHBondContact O-N 2.85Å; C213-M217 WeakPolarHBondContact O-CB 3.19Å; C213-N218 PolarHBondContact O-N 3.09Å; C213-I219 HydrophobicContact CB-CD1 4.48Å; C213-I219 PolarHBondContact O-N 3.43Å; C213-I219 VanDerWaalsContact O-N 3.17Å; C213-I222 HydrophobicContact CB-CD1 3.98Å; C213-I222 HydrophobicContact CB-CG1 4.04Å; C213-I222 HydrophobicContact CB-CG2 3.97Å
214A90.3Very high90.5Very high41 Ų4159.3 Ų59.334%0.33929%0.292SS..Hα-helixtrans-67.9-49-178.700000112.7H210 K211 I212 I222H210-A214 WeakPolarHBondContact O-CB 3.32Å; H210-A214 PolarHBondContact O-N 3.13Å; K211-A214 PolarHBondContact O-N 2.97Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.08Å; A214-I222 HydrophobicContact CB-CD1 3.67Å
215K88Confident90.3Very high125 Ų12566 Ų6654%0.54332%0.317SS..Hα-helixtrans-91.1-47.4-169.8-63.5-163.4-175-1750112.9K211 I212 M309K211-K215 WeakPolarHBondContact O-CB 3.25Å; K211-K215 PolarHBondContact O-N 3.08Å; I212-K215 PolarHBondContact O-N 3.04Å; K215-M309 HydrophobicContact CD-CE 3.68Å
216Q83.2Confident90.3Very high11 Ų1166.5 Ų66.55%0.05132%0.32CS..THydrogen-bonded Turntrans-88.4-39.2-171.6-68.2-170.9-29.300112.6I212 Q279 S281 E311I212-Q216 HydrophobicContact CG2-CB 4.4Å; I212-Q216 WeakPolarHBondContact O-CA 3.48Å; I212-Q216 VanDerWaalsContact O-CB 3.32Å; I212-Q216 WeakPolarHBondContact O-CB 3.49Å; I212-Q216 PolarHBondContact O-N 3.22Å; Q216-Q279 WeakPolarHBondContact CB-O 3.36Å; Q216-S281 PolarHBondContact O-N 3.02Å; Q216-E311 WeakPolarHBondContact CG-OE1 3.45Å; Q216-E311 VanDerWaalsContact CG-OE2 3.27Å; Q216-E311 WeakPolarHBondContact CG-OE2 3.1Å; Q216-E311 PolarHBondContact NE2-OE2 3.02Å
217M82.8Confident90.3Very high48 Ų4866 Ų6624%0.23632%0.318CS..SBendtrans-87.1-9.2177.1-54.2-62.1-7200112.8I212 C213 I219 V230 M280I212-M217 PolarHBondContact O-N 3.01Å; C213-M217 WeakPolarHBondContact O-CB 3.19Å; M217-I219 HydrophobicContact CB-CD1 3.75Å; M217-I219 HydrophobicContact CB-CG1 3.78Å; M217-I219 PolarHBondContact O-N 2.64Å; M217-V230 HydrophobicContact CG-CG2 4.42Å; M217-M280 VanDerWaalsContact SD-O 3.41Å
218N85.4Confident90.4Very high103 Ų10364.4 Ų64.455%0.55131%0.309SS*.  trans52.639.2-178.5-165.926000113.4C213C213-N218 PolarHBondContact O-N 3.09Å
219I86.6Confident90.5Very high45 Ų4567.1 Ų67.123%0.23132%0.319CS..  trans-88.4117-179.9-58.8173.3000108.9C213 M217 Q221 I222 D226C213-I219 HydrophobicContact CB-CD1 4.48Å; C213-I219 PolarHBondContact O-N 3.43Å; C213-I219 VanDerWaalsContact O-N 3.17Å; M217-I219 HydrophobicContact CB-CD1 3.75Å; M217-I219 HydrophobicContact CB-CG1 3.78Å; M217-I219 PolarHBondContact O-N 2.64Å; I219-Q221 WeakPolarHBondContact CG2-O 3.3Å; I219-I222 HydrophobicContact CB-CG1 4.16Å; I219-I222 HydrophobicContact CG2-CG1 4.01Å; I219-D226 HydrophobicContact CD1-CB 3.92Å
220K83.9Confident90.5Very high201 Ų20167.7 Ų67.787%0.87432%0.323SS*.SBendtrans-72.7-40.6-178.5-66.7-175.3179.5-179.70113.4
221Q88.9Confident90.6Very high177 Ų17764.3 Ų64.383%0.82731%0.307SS*.SBendtrans-117.298.7178.4-72.2-173.1-19.600108.7I219I219-Q221 WeakPolarHBondContact CG2-O 3.3Å
222I91.8Very high90.7Very high40 Ų4059.1 Ų59.121%0.20529%0.285CS..  trans-85.1122.2-173.4-61.6161.8000109H210 C213 A214 I219 L227H210-I222 VanDerWaalsContact CE1-CD1 3.41Å; H210-I222 WeakPolarHBondContact CE1-CD1 3.39Å; C213-I222 HydrophobicContact CB-CD1 3.98Å; C213-I222 HydrophobicContact CB-CG1 4.04Å; C213-I222 HydrophobicContact CB-CG2 3.97Å; A214-I222 HydrophobicContact CB-CD1 3.67Å; I219-I222 HydrophobicContact CB-CG1 4.16Å; I219-I222 HydrophobicContact CG2-CG1 4.01Å; I222-L227 HydrophobicContact CG2-CD2 3.97Å; I222-L227 HydrophobicContact CG2-CG 4.07Å
223S92.8Very high90.8Very high53 Ų5359.9 Ų59.937%0.37129%0.288SS..  trans-101.5163172.974.70000111.2R225 D226 L227S223-R225 PolarHBondContact O-N 3.2Å; S223-R225 PolarHBondContact OG-N 2.82Å; S223-D226 WeakPolarHBondContact CB-OD2 3.44Å; S223-D226 PolarHBondContact N-OD2 3.16Å; S223-D226 PolarHBondContact O-N 2.81Å; S223-D226 VanDerWaalsContact OG-CG 3.31Å; S223-D226 PolarHBondContact OG-N 2.7Å; S223-D226 PolarHBondContact OG-OD2 3.15Å; S223-L227 PolarHBondContact O-N 3.26Å
224F90.9Very high91Very high110 Ų11060.2 Ų60.248%0.48229%0.29SS..Hα-helixtrans-59.7-27.1171.9-75.8-68.9000113Y175 D226 L227 N228Y175-F224 HydrophobicContact CE2-CE1 4.44Å; F224-D226 VanDerWaalsContact C-N 3.34Å; F224-L227 HydrophobicContact CD1-CD1 3.86Å; F224-L227 HydrophobicContact CE1-CD1 4.28Å; F224-L227 PolarHBondContact O-N 2.75Å; F224-N228 WeakPolarHBondContact O-CB 3.42Å; F224-N228 PolarHBondContact O-N 2.92Å; F224-N228 PolarHBondContact O-ND2 2.9Å; F224-N228 PolarHBondContact O-OD1 3.02Å
225R92.8Very high91.2Very high149 Ų14958.3 Ų58.356%0.56227%0.274SS*.Hα-helixtrans-63.2-43.1174.4-173.6-175.5-178.7-165.6-3.1111.1E18 S223 N228 Q229E18-R225 IonicContact OE1-NE 3.88Å; S223-R225 PolarHBondContact O-N 3.2Å; S223-R225 PolarHBondContact OG-N 2.82Å; R225-N228 PolarHBondContact O-N 2.95Å; R225-Q229 WeakPolarHBondContact O-CG 3.29Å; R225-Q229 PolarHBondContact O-N 2.81Å
226D93.7Very high91.4Very high35 Ų3552.3 Ų52.319%0.18725%0.248CC..Hα-helixtrans-65-41.8-179.7-52.9-54.4000111I219 S223 F224 Q229 V230I219-D226 HydrophobicContact CD1-CB 3.92Å; S223-D226 WeakPolarHBondContact CB-OD2 3.44Å; S223-D226 PolarHBondContact N-OD2 3.16Å; S223-D226 PolarHBondContact O-N 2.81Å; S223-D226 VanDerWaalsContact OG-CG 3.31Å; S223-D226 PolarHBondContact OG-N 2.7Å; S223-D226 PolarHBondContact OG-OD2 3.15Å; F224-D226 VanDerWaalsContact C-N 3.34Å; D226-Q229 PolarHBondContact O-N 3.19Å; D226-V230 PolarHBondContact O-N 3.44Å
227L94.8Very high91.9Very high3 Ų351.9 Ų51.92%0.01625%0.246CC..Hα-helixtrans-59.5-48.7173.8-61.2172.4000111.2Y175 V209 H210 I222 S223 F224 Q229 V230 L231Y175-L227 VanDerWaalsContact OH-CD1 3.24Å; Y175-L227 WeakPolarHBondContact OH-CD1 3.47Å; V209-L227 HydrophobicContact CB-CD2 4.17Å; V209-L227 HydrophobicContact CG1-CB 4.11Å; V209-L227 HydrophobicContact CG1-CD2 3.76Å; H210-L227 VanDerWaalsContact CA-CD2 3.43Å; H210-L227 HydrophobicContact CB-CD2 3.85Å; I222-L227 HydrophobicContact CG2-CD2 3.97Å; I222-L227 HydrophobicContact CG2-CG 4.07Å; S223-L227 PolarHBondContact O-N 3.26Å; F224-L227 HydrophobicContact CD1-CD1 3.86Å; F224-L227 HydrophobicContact CE1-CD1 4.28Å; F224-L227 PolarHBondContact O-N 2.75Å; L227-Q229 VanDerWaalsContact C-N 3.27Å; L227-Q229 PolarHBondContact O-N 2.98Å; L227-V230 PolarHBondContact O-N 2.85Å; L227-L231 WeakPolarHBondContact O-CG 3.24Å; L227-L231 PolarHBondContact O-N 2.88Å
228N96.1Very high92.3Very high10 Ų1049.8 Ų49.85%0.05324%0.236CC..Hα-helixtrans-64.7-31.8-178.5-65.2-11.8000112.2Q14 I15 E18 F224 R225 L231 A232Q14-N228 WeakPolarHBondContact CB-ND2 3.48Å; I15-N228 HydrophobicContact CG1-CB 4.14Å; I15-N228 WeakPolarHBondContact CG1-OD1 3.41Å; E18-N228 HydrophobicContact CB-CB 4.37Å; E18-N228 HydrophobicContact CG-CB 3.87Å; F224-N228 WeakPolarHBondContact O-CB 3.42Å; F224-N228 PolarHBondContact O-N 2.92Å; F224-N228 PolarHBondContact O-ND2 2.9Å; F224-N228 PolarHBondContact O-OD1 3.02Å; R225-N228 PolarHBondContact O-N 2.95Å; N228-L231 PolarHBondContact O-N 3.17Å; N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.34Å; N228-A232 PolarHBondContact O-N 2.96Å
229Q94Very high92.7Very high71 Ų7145 Ų4533%0.33221%0.21SC..Hα-helixtrans-68.9-40.3174.7-76.7-178.1-11.500112.7E18 R225 D226 L227 A232 H233E18-Q229 HydrophobicContact CG-CG 4.4Å; E18-Q229 VanDerWaalsContact OE2-CG 3.27Å; E18-Q229 WeakPolarHBondContact OE2-CG 3.49Å; E18-Q229 PolarHBondContact OE2-NE2 3.46Å; R225-Q229 WeakPolarHBondContact O-CG 3.29Å; R225-Q229 PolarHBondContact O-N 2.81Å; D226-Q229 PolarHBondContact O-N 3.19Å; L227-Q229 VanDerWaalsContact C-N 3.27Å; L227-Q229 PolarHBondContact O-N 2.98Å; Q229-A232 PolarHBondContact O-N 2.97Å; Q229-H233 WeakPolarHBondContact O-CB 3.49Å; Q229-H233 PolarHBondContact O-N 3.01Å
230V94.1Very high93Very high14 Ų1442.8 Ų42.89%0.08520%0.199CC..Hα-helixtrans-63.4-44.7173.6172.70000110.5V209 I212 M217 D226 L227 H233 Q234V209-V230 HydrophobicContact CG1-CB 3.97Å; V209-V230 HydrophobicContact CG1-CG1 3.96Å; I212-V230 HydrophobicContact CG2-CG1 3.86Å; I212-V230 HydrophobicContact CG2-CG2 4.42Å; M217-V230 HydrophobicContact CG-CG2 4.42Å; D226-V230 PolarHBondContact O-N 3.44Å; L227-V230 PolarHBondContact O-N 2.85Å; V230-H233 PolarHBondContact O-N 3.3Å; V230-Q234 WeakPolarHBondContact O-CG 3.36Å; V230-Q234 PolarHBondContact O-N 2.73Å
231L95.8Very high93.3Very high0 Ų033.2 Ų33.20%016%0.157CC..Hα-helixtrans-59.8-46.9175.3-72172.7000111.9I15 I172 H204 V209 L227 N228 H233 Q234 L235I15-L231 HydrophobicContact CD1-CD1 3.78Å; I15-L231 HydrophobicContact CG1-CD1 4.22Å; I172-L231 HydrophobicContact CD1-CD1 3.82Å; I172-L231 HydrophobicContact CD1-CD2 4.46Å; H204-L231 HydrophobicContact CB-CD2 3.52Å; H204-L231 WeakPolarHBondContact CD2-CD2 3.14Å; H204-L231 VanDerWaalsContact CG-CD2 3.45Å; V209-L231 HydrophobicContact CG1-CG 4.24Å; V209-L231 HydrophobicContact CG2-CD2 3.69Å; V209-L231 HydrophobicContact CG2-CG 4.19Å; L227-L231 WeakPolarHBondContact O-CG 3.24Å; L227-L231 PolarHBondContact O-N 2.88Å; N228-L231 PolarHBondContact O-N 3.17Å; L231-H233 VanDerWaalsContact C-N 3.3Å; L231-H233 PolarHBondContact O-N 2.97Å; L231-Q234 WeakPolarHBondContact O-CB 3.34Å; L231-Q234 PolarHBondContact O-N 2.91Å; L231-Q234 VanDerWaalsContact O-N 3.13Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 2.84Å
232A95.8Very high93.3Very high2 Ų224.9 Ų24.92%0.01712%0.118CC..Hα-helixtrans-60.4-40.6177.600000112.3E18 V19 A22 N228 Q229 L235 G236E18-A232 HydrophobicContact CB-CB 3.81Å; E18-A232 WeakPolarHBondContact O-CB 3.41Å; V19-A232 HydrophobicContact CG2-CB 4.07Å; A22-A232 HydrophobicContact CB-CB 3.98Å; N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.34Å; N228-A232 PolarHBondContact O-N 2.96Å; Q229-A232 PolarHBondContact O-N 2.97Å; A232-L235 PolarHBondContact O-N 3.44Å; A232-G236 PolarHBondContact O-N 3.42Å
233H94Very high92.9Very high20 Ų2024.3 Ų24.39%0.09311%0.114CC..Hα-helixtrans-65.4-38.6174.6-174.689.7000112.1Q229 V230 L231 N237 F386 D387 Y389Q229-H233 WeakPolarHBondContact O-CB 3.49Å; Q229-H233 PolarHBondContact O-N 3.01Å; V230-H233 PolarHBondContact O-N 3.3Å; L231-H233 VanDerWaalsContact C-N 3.3Å; L231-H233 PolarHBondContact O-N 2.97Å; H233-N237 PolarHBondContact CD2-ND2 3.28Å; H233-N237 PolarHBondContact NE2-ND2 3.11Å; H233-N237 VanDerWaalsContact NE2-ND2 3.14Å; H233-N237 PolarHBondContact O-N 3.02Å; H233-N237 PolarHBondContact O-ND2 3.44Å; H233-F386 AromaticContact CE1-CD1 3.58Å; H233-F386 AromaticContact CE1-CE1 3.34Å; H233-F386 WeakPolarHBondContact CE1-CE1 3.43Å; H233-F386 AromaticContact ND1-CE1 3.48Å; H233-F386 WeakPolarHBondContact ND1-CE1 3.38Å; H233-F386 AromaticContact NE2-CD1 3.99Å; H233-F386 AromaticContact NE2-CE1 3.8Å; H233-D387 IonicContact CE1-OD2 3.22Å; H233-D387 IonicContact ND1-OD2 2.76Å; H233-D387 PolarHBondContact ND1-OD2 2.96Å; H233-Y389 AromaticContact CE1-CD2 3.63Å; H233-Y389 AromaticContact CE1-CE2 3.34Å; H233-Y389 WeakPolarHBondContact CE1-CE2 3.25Å; H233-Y389 AromaticContact NE2-CE2 3.64Å
234Q94.6Very high92Very high7 Ų723.3 Ų23.33%0.03311%0.107CC..Hα-helixtrans-61.1-51174.8-76177.5-29.500111.9H204 V230 L231 N237 V238 V274 N276 Q279H204-Q234 PolarHBondContact CD2-OE1 3.24Å; V230-Q234 WeakPolarHBondContact O-CG 3.36Å; V230-Q234 PolarHBondContact O-N 2.73Å; L231-Q234 WeakPolarHBondContact O-CB 3.34Å; L231-Q234 PolarHBondContact O-N 2.91Å; L231-Q234 VanDerWaalsContact O-N 3.13Å; Q234-N237 PolarHBondContact O-N 3.49Å; Q234-V238 PolarHBondContact O-N 2.91Å; Q234-V274 HydrophobicContact CB-CG1 4.31Å; Q234-N276 WeakPolarHBondContact CA-ND2 3.3Å; Q234-N276 HydrophobicContact CG-CB 4.21Å; Q234-Q279 VanDerWaalsContact NE2-NE2 3.12Å
235L95.2Very high90.7Very high0 Ų022.3 Ų22.30%010%0.103CC..Hα-helixtrans-65.8-39.4178.7-65.6-177.4000113.1V19 F137 Q170 L202 L231 A232 N237 V238 F239V19-L235 HydrophobicContact CG1-CD1 4.42Å; V19-L235 HydrophobicContact CG2-CD1 3.45Å; V19-L235 VanDerWaalsContact CG2-CD1 3.45Å; F137-L235 HydrophobicContact CE1-CD1 4.21Å; F137-L235 HydrophobicContact CZ-CD1 3.96Å; F137-L235 HydrophobicContact CZ-CD2 4.36Å; Q170-L235 VanDerWaalsContact CD-CD1 3.42Å; L202-L235 HydrophobicContact CD2-CD2 3.44Å; L202-L235 VanDerWaalsContact CD2-CD2 3.44Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 2.84Å; A232-L235 PolarHBondContact O-N 3.44Å; L235-N237 VanDerWaalsContact C-N 3.28Å; L235-N237 PolarHBondContact O-N 3.46Å; L235-V238 PolarHBondContact O-N 3.43Å; L235-F239 HydrophobicContact CB-CD2 4.02Å; L235-F239 HydrophobicContact CB-CE2 4.23Å; L235-F239 HydrophobicContact CD2-CE2 4.02Å; L235-F239 WeakPolarHBondContact O-CB 3.42Å; L235-F239 VanDerWaalsContact O-CD2 3.29Å; L235-F239 WeakPolarHBondContact O-CD2 3.2Å; L235-F239 PolarHBondContact O-N 3.48Å
236G93.3Very high89Confident0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-59.7-40.3177.700000112A232 V238 F239 Q240 F386A232-G236 PolarHBondContact O-N 3.42Å; G236-V238 VanDerWaalsContact C-N 3.26Å; G236-V238 PolarHBondContact O-N 2.89Å; G236-F239 PolarHBondContact O-N 2.74Å; G236-Q240 VanDerWaalsContact O-CB 3.24Å; G236-Q240 WeakPolarHBondContact O-CB 3.46Å; G236-Q240 WeakPolarHBondContact O-CG 3.37Å; G236-Q240 PolarHBondContact O-N 2.68Å; G236-F386 VanDerWaalsContact C-CZ 3.46Å
237N91.7Very high87.2Confident1 Ų123.4 Ų23.41%0.00513%0.134CC..Hα-helixtrans-61.8-32.1173.5-88-75.6000113.3H233 Q234 L235 N276 R349 F386 A394H233-N237 PolarHBondContact CD2-ND2 3.28Å; H233-N237 PolarHBondContact NE2-ND2 3.11Å; H233-N237 VanDerWaalsContact NE2-ND2 3.14Å; H233-N237 PolarHBondContact O-N 3.02Å; H233-N237 PolarHBondContact O-ND2 3.44Å; Q234-N237 PolarHBondContact O-N 3.49Å; L235-N237 VanDerWaalsContact C-N 3.28Å; L235-N237 PolarHBondContact O-N 3.46Å; N237-N276 VanDerWaalsContact CB-ND2 3.26Å; N237-N276 WeakPolarHBondContact CB-ND2 3.49Å; N237-N276 VanDerWaalsContact CG-ND2 3.32Å; N237-N276 PolarHBondContact ND2-ND2 2.69Å; N237-R349 VanDerWaalsContact O-CZ 3.25Å; N237-R349 PolarHBondContact O-NE 2.84Å; N237-R349 PolarHBondContact O-NH2 3.29Å; N237-F386 HydrophobicContact CB-CD1 4.49Å; N237-F386 HydrophobicContact CB-CE1 4.41Å; N237-F386 WeakPolarHBondContact ND2-CD1 3.49Å; N237-F386 WeakPolarHBondContact ND2-CE1 3.4Å; N237-F386 WeakPolarHBondContact OD1-CD1 3.49Å; N237-A394 HydrophobicContact CB-CB 3.97Å
238V93.1Very high85.5Confident4 Ų425.7 Ų25.72%0.02415%0.15CC..Hα-helixtrans-79.2-46.4178.4176.90000110.9Q234 L235 G236 L259 V274 I347 V396Q234-V238 PolarHBondContact O-N 2.91Å; L235-V238 PolarHBondContact O-N 3.43Å; G236-V238 VanDerWaalsContact C-N 3.26Å; G236-V238 PolarHBondContact O-N 2.89Å; V238-L259 HydrophobicContact CG1-CD1 3.94Å; V238-L259 HydrophobicContact CG1-CD2 4.01Å; V238-V274 HydrophobicContact CG2-CG1 4.05Å; V238-V274 HydrophobicContact CG2-CG2 4.48Å; V238-I347 HydrophobicContact CB-CD1 4.37Å; V238-I347 HydrophobicContact CG1-CD1 4.28Å; V238-I347 HydrophobicContact CG2-CD1 4.37Å; V238-V396 HydrophobicContact CG1-CG2 4.2Å; V238-V396 HydrophobicContact CG2-CG2 3.75Å
239F92.9Very high83.8Confident2 Ų230.3 Ų30.31%0.00918%0.184CC..Hα-helixtrans-90.2-16.2-168.9-73.5-56.4000115.8L23 R49 F50 F137 M168 L235 G236 L256 L259L23-F239 HydrophobicContact CD2-CB 4.49Å; R49-F239 PolarHBondContact NH1-O 3.44Å; F50-F239 HydrophobicContact CE2-CB 3.96Å; F50-F239 HydrophobicContact CZ-CB 3.71Å; F50-F239 HydrophobicContact CZ-CD1 4.26Å; F50-F239 AromaticContact CZ-CG 4Å; F50-F239 HydrophobicContact CZ-CG 4Å; F137-F239 HydrophobicContact CD1-CE2 4.33Å; F137-F239 HydrophobicContact CD1-CZ 4.47Å; F137-F239 HydrophobicContact CD2-CE2 4.18Å; F137-F239 AromaticContact CD2-CZ 3.67Å; F137-F239 HydrophobicContact CD2-CZ 3.67Å; F137-F239 AromaticContact CE1-CE2 3.83Å; F137-F239 HydrophobicContact CE1-CE2 3.83Å; F137-F239 HydrophobicContact CE1-CZ 4.29Å; F137-F239 AromaticContact CE2-CE2 3.69Å; F137-F239 HydrophobicContact CE2-CE2 3.69Å; F137-F239 AromaticContact CE2-CZ 3.47Å; F137-F239 HydrophobicContact CE2-CZ 3.47Å; F137-F239 VanDerWaalsContact CE2-CZ 3.47Å; F137-F239 HydrophobicContact CG-CE2 4.49Å; F137-F239 HydrophobicContact CG-CZ 4.19Å; F137-F239 AromaticContact CZ-CE2 3.5Å; F137-F239 HydrophobicContact CZ-CE2 3.5Å; F137-F239 VanDerWaalsContact CZ-CE2 3.5Å; F137-F239 AromaticContact CZ-CZ 3.82Å; F137-F239 HydrophobicContact CZ-CZ 3.82Å; M168-F239 HydrophobicContact SD-CE1 4.29Å; M168-F239 HydrophobicContact SD-CZ 4.04Å; L235-F239 HydrophobicContact CB-CD2 4.02Å; L235-F239 HydrophobicContact CB-CE2 4.23Å; L235-F239 HydrophobicContact CD2-CE2 4.02Å; L235-F239 WeakPolarHBondContact O-CB 3.42Å; L235-F239 VanDerWaalsContact O-CD2 3.29Å; L235-F239 WeakPolarHBondContact O-CD2 3.2Å; L235-F239 PolarHBondContact O-N 3.48Å; G236-F239 PolarHBondContact O-N 2.74Å; F239-L256 HydrophobicContact CE1-CD2 3.86Å; F239-L259 HydrophobicContact CD1-CD1 4.42Å; F239-L259 HydrophobicContact CE1-CD1 3.94Å
240Q92.6Very high82.6Confident0 Ų032.9 Ų32.90%020%0.195CC..SBendtrans-67.3154.5176.5-80.2-6614.800111.9L23 D26 Y42 C46 G236 T242 R349 F386L23-Q240 HydrophobicContact CD2-CG 3.97Å; L23-Q240 PolarHBondContact O-NE2 3.26Å; D26-Q240 VanDerWaalsContact OD2-CD 3.27Å; D26-Q240 WeakPolarHBondContact OD2-CG 3.04Å; D26-Q240 PolarHBondContact OD2-NE2 3.41Å; Y42-Q240 HydrophobicContact CE2-CB 4.21Å; Y42-Q240 WeakPolarHBondContact OH-CB 3.36Å; Y42-Q240 WeakPolarHBondContact OH-CG 3.19Å; C46-Q240 PolarHBondContact SG-OE1 3.46Å; C46-Q240 VanDerWaalsContact SG-OE1 3.33Å; G236-Q240 VanDerWaalsContact O-CB 3.24Å; G236-Q240 WeakPolarHBondContact O-CB 3.46Å; G236-Q240 WeakPolarHBondContact O-CG 3.37Å; G236-Q240 PolarHBondContact O-N 2.68Å; Q240-T242 PolarHBondContact O-N 3.38Å; Q240-R349 PolarHBondContact O-NH2 3.43Å; Q240-F386 HydrophobicContact CG-CD2 4Å; Q240-F386 HydrophobicContact CG-CE2 3.69Å
241P91.1Very high81.6Confident0 Ų032.8 Ų32.80%019%0.194CC..  trans-55.9139-178.6-25.533.2000113.6Y42 C46 Y251 R349Y42-P241 HydrophobicContact CD2-CB 3.71Å; Y42-P241 HydrophobicContact CD2-CG 3.96Å; Y42-P241 HydrophobicContact CE2-CB 4.03Å; Y42-P241 HydrophobicContact CE2-CG 4.17Å; Y42-P241 WeakPolarHBondContact CE2-O 3.32Å; Y42-P241 HydrophobicContact CG-CB 4.39Å; Y42-P241 HydrophobicContact CG-CG 4.28Å; C46-P241 HydrophobicContact CB-CG 4.3Å; P241-Y251 HydrophobicContact CB-CD1 3.37Å; P241-Y251 HydrophobicContact CB-CD2 4.14Å; P241-Y251 HydrophobicContact CB-CE1 3.84Å; P241-Y251 HydrophobicContact CB-CG 3.53Å; P241-R349 PolarHBondContact O-NH1 3.18Å
242T88.3Confident80.6Confident1 Ų133.8 Ų33.81%0.00620%0.197CC..  trans-145.9160.7175.540.40000110.5Q240 R252 I347 W380 T382Q240-T242 PolarHBondContact O-N 3.38Å; T242-R252 WeakPolarHBondContact O-CG 3.44Å; T242-R252 PolarHBondContact O-N 3.32Å; T242-R252 PolarHBondContact OG1-NE 2.95Å; T242-R252 PolarHBondContact OG1-NH2 3.31Å; T242-I347 HydrophobicContact CG2-CG2 3.82Å; T242-W380 HydrophobicContact CG2-CB 4.47Å; T242-T382 HydrophobicContact CG2-CG2 3.87Å
243Y84.4Confident79.5Confident28 Ų2842 Ų4211%0.1123%0.228CC..BIsolated β-bridgetrans-95.2153.1173.2-55.9-75.4000110.6S248 Y251 W380 K381Y243-S248 WeakPolarHBondContact CD1-O 3.11Å; Y243-Y251 HydrophobicContact CD1-CD1 4.19Å; Y243-Y251 HydrophobicContact CD1-CE1 4.48Å; Y243-Y251 HydrophobicContact CD2-CD1 4.38Å; Y243-Y251 AromaticContact CD2-CE1 3.96Å; Y243-Y251 HydrophobicContact CD2-CE1 3.96Å; Y243-Y251 AromaticContact CE1-CD1 3.93Å; Y243-Y251 HydrophobicContact CE1-CD1 3.93Å; Y243-Y251 HydrophobicContact CE1-CD2 4.36Å; Y243-Y251 HydrophobicContact CE1-CE1 4.05Å; Y243-Y251 HydrophobicContact CE1-CE2 4.42Å; Y243-Y251 HydrophobicContact CE1-CG 4.11Å; Y243-Y251 HydrophobicContact CE2-CD1 4.14Å; Y243-Y251 AromaticContact CE2-CE1 3.48Å; Y243-Y251 HydrophobicContact CE2-CE1 3.48Å; Y243-Y251 VanDerWaalsContact CE2-CE1 3.48Å; Y243-Y251 AromaticContact CE2-CZ 3.69Å; Y243-Y251 HydrophobicContact CG-CD1 4.42Å; Y243-Y251 HydrophobicContact CG-CE1 4.45Å; Y243-Y251 AromaticContact CZ-CD1 3.91Å; Y243-Y251 AromaticContact CZ-CE1 3.53Å; Y243-Y251 AromaticContact CZ-CE2 3.88Å; Y243-Y251 AromaticContact CZ-CZ 3.5Å; Y243-Y251 WeakPolarHBondContact OH-CE2 3.44Å; Y243-Y251 VanDerWaalsContact OH-CZ 3.32Å; Y243-W380 WeakPolarHBondContact O-CA 3.34Å; Y243-K381 WeakPolarHBondContact CB-O 3.43Å; Y243-K381 PolarHBondContact N-O 3.4Å; Y243-K381 PolarHBondContact O-N 2.85Å; Y243-K381 VanDerWaalsContact O-N 3.08Å
244S72.4Confident79Confident33 Ų3342.8 Ų42.823%0.23123%0.233CC..  trans-79.7172.9169.1-165.80000111.3D246S244-D246 PolarHBondContact O-N 3.33Å
245E63.6Low78.4Confident88 Ų8842.6 Ų42.641%0.41123%0.232SC..THydrogen-bonded Turntrans-57.4-32.3174.1-82.8-171.5145.600112.7G247 M379E245-G247 PolarHBondContact O-N 2.9Å; E245-M379 HydrophobicContact CG-CB 4.25Å; E245-M379 HydrophobicContact CG-CE 3.73Å; E245-M379 WeakPolarHBondContact OE1-CE 3.43Å
246D58.4Low78.2Confident151 Ų15142.6 Ų42.681%0.80723%0.232SC*.THydrogen-bonded Turntrans-72.49.2-174.7-65.3-27.4000115.7S244 S248S244-D246 PolarHBondContact O-N 3.33Å; D246-S248 VanDerWaalsContact C-N 3.28Å; D246-S248 PolarHBondContact O-N 3.01Å
247G54.3Low78.1Confident57 Ų5743.2 Ų43.259%0.58824%0.239SC*.  trans66.227.1170.100000114.5E245 S249E245-G247 PolarHBondContact O-N 2.9Å; G247-S249 PolarHBondContact O-N 3.44Å
248S59.6Low78Confident50 Ų5044.7 Ų44.735%0.3525%0.246SC..  trans-55.3130.8177.863.50000111.1Y243 D246 H250Y243-S248 WeakPolarHBondContact CD1-O 3.11Å; D246-S248 VanDerWaalsContact C-N 3.28Å; D246-S248 PolarHBondContact O-N 3.01Å; S248-H250 PolarHBondContact O-N 2.85Å; S248-H250 PolarHBondContact OG-O 2.92Å
249S61.4Low78Confident108 Ų10844.6 Ų44.676%0.75525%0.246SC*.SBendtrans-69.11.6175.9-52.10000113.8G247G247-S249 PolarHBondContact O-N 3.44Å
250H67.8Low77.9Confident125 Ų12545.3 Ų45.358%0.57925%0.249SC*.SBendtrans-127.5142.4179.9-62.5-66.5000110.3S248S248-H250 PolarHBondContact O-N 2.85Å; S248-H250 PolarHBondContact OG-O 2.92Å
251Y74.3Confident77.9Confident12 Ų1252.2 Ų52.25%0.04728%0.281CS..  trans-61152.3170.5-73.4-69.9000111.5E38 A41 Y42 P241 Y243 R253E38-Y251 PolarHBondContact O-OH 3.14Å; A41-Y251 HydrophobicContact CB-CD2 4.05Å; A41-Y251 HydrophobicContact CB-CE2 3.96Å; Y42-Y251 VanDerWaalsContact CA-CE2 3.41Å; Y42-Y251 AromaticContact CD2-CE1 3.97Å; Y42-Y251 HydrophobicContact CD2-CE1 3.97Å; Y42-Y251 HydrophobicContact CD2-CE2 4.33Å; Y42-Y251 AromaticContact CD2-CZ 3.72Å; Y42-Y251 VanDerWaalsContact N-CE2 3.26Å; P241-Y251 HydrophobicContact CB-CD1 3.37Å; P241-Y251 HydrophobicContact CB-CD2 4.14Å; P241-Y251 HydrophobicContact CB-CE1 3.84Å; P241-Y251 HydrophobicContact CB-CG 3.53Å; Y243-Y251 HydrophobicContact CD1-CD1 4.19Å; Y243-Y251 HydrophobicContact CD1-CE1 4.48Å; Y243-Y251 HydrophobicContact CD2-CD1 4.38Å; Y243-Y251 AromaticContact CD2-CE1 3.96Å; Y243-Y251 HydrophobicContact CD2-CE1 3.96Å; Y243-Y251 AromaticContact CE1-CD1 3.93Å; Y243-Y251 HydrophobicContact CE1-CD1 3.93Å; Y243-Y251 HydrophobicContact CE1-CD2 4.36Å; Y243-Y251 HydrophobicContact CE1-CE1 4.05Å; Y243-Y251 HydrophobicContact CE1-CE2 4.42Å; Y243-Y251 HydrophobicContact CE1-CG 4.11Å; Y243-Y251 HydrophobicContact CE2-CD1 4.14Å; Y243-Y251 AromaticContact CE2-CE1 3.48Å; Y243-Y251 HydrophobicContact CE2-CE1 3.48Å; Y243-Y251 VanDerWaalsContact CE2-CE1 3.48Å; Y243-Y251 AromaticContact CE2-CZ 3.69Å; Y243-Y251 HydrophobicContact CG-CD1 4.42Å; Y243-Y251 HydrophobicContact CG-CE1 4.45Å; Y243-Y251 AromaticContact CZ-CD1 3.91Å; Y243-Y251 AromaticContact CZ-CE1 3.53Å; Y243-Y251 AromaticContact CZ-CE2 3.88Å; Y243-Y251 AromaticContact CZ-CZ 3.5Å; Y243-Y251 WeakPolarHBondContact OH-CE2 3.44Å; Y243-Y251 VanDerWaalsContact OH-CZ 3.32Å; Y251-R253 PolarHBondContact O-N 3.44Å
252R74.5Confident77.9Confident20 Ų2054.4 Ų54.48%0.07529%0.292CS..  trans-60.5132.9179-71.1-178.2-52.8114.9-0.7112.2R49 T242 D258 W380R49-R252 PolarHBondContact NH2-O 2.85Å; T242-R252 WeakPolarHBondContact O-CG 3.44Å; T242-R252 PolarHBondContact O-N 3.32Å; T242-R252 PolarHBondContact OG1-NE 2.95Å; T242-R252 PolarHBondContact OG1-NH2 3.31Å; R252-D258 VanDerWaalsContact CB-OD2 3.31Å; R252-D258 WeakPolarHBondContact CB-OD2 3.24Å; R252-D258 VanDerWaalsContact CD-OD2 3.26Å; R252-D258 WeakPolarHBondContact CD-OD2 3.29Å; R252-D258 IonicContact CZ-OD2 2.76Å; R252-D258 IonicContact NE-OD2 3.24Å; R252-D258 IonicContact NH1-OD2 3.76Å; R252-D258 PolarHBondContact NH1-OD2 3.29Å; R252-W380 VanDerWaalsContact CZ-CZ3 3.45Å
253R73.2Confident78.2Confident176 Ų17654.3 Ų54.366%0.66429%0.291SS*.SBendtrans-89.3-29.1-171.6-67.2-172.7178.4-168.20.4113.5M1 Y251M1-R253 WeakPolarHBondContact CB-O 3.33Å; M1-R253 PolarHBondContact N-O 3.04Å; Y251-R253 PolarHBondContact O-N 3.44Å
254D82.9Confident78.7Confident36 Ų3654.3 Ų54.319%0.19329%0.294CS..  trans-120.685.8-178.6-169.4-0.4000112.3M1 S134 L256 G257 D258M1-D254 HydrophobicContact SD-CB 3.64Å; S134-D254 VanDerWaalsContact CB-OD1 3.27Å; S134-D254 WeakPolarHBondContact CB-OD1 3.47Å; S134-D254 PolarHBondContact OG-OD1 2.89Å; D254-L256 VanDerWaalsContact C-N 3.34Å; D254-L256 PolarHBondContact O-N 2.79Å; D254-L256 PolarHBondContact OD1-N 2.92Å; D254-G257 PolarHBondContact OD1-N 2.97Å; D254-G257 VanDerWaalsContact OD1-N 3.12Å; D254-D258 VanDerWaalsContact O-CB 3.31Å; D254-D258 WeakPolarHBondContact O-CB 3.47Å; D254-D258 PolarHBondContact O-N 2.82Å
255P82.1Confident79.7Confident2 Ų255.2 Ų55.21%0.01330%0.299CS..Hα-helixtrans-61.1-38.8-177.724.2-32.2000114.8I3 R49 L259I3-P255 HydrophobicContact CD1-CB 4.41Å; I3-P255 HydrophobicContact CD1-CG 3.53Å; I3-P255 HydrophobicContact CG1-CG 4.04Å; R49-P255 HydrophobicContact CG-CG 4.26Å; P255-L259 VanDerWaalsContact O-CB 3.28Å; P255-L259 WeakPolarHBondContact O-CB 3.33Å; P255-L259 WeakPolarHBondContact O-CD1 3.46Å; P255-L259 WeakPolarHBondContact O-CG 3.44Å; P255-L259 PolarHBondContact O-N 2.97Å
256L90.9Very high81Confident0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-78.6-43.1-173.2-63.9-178.5000109.2I3 L166 M168 F239 D254 L259 M260I3-L256 HydrophobicContact CD1-CD1 4.21Å; I3-L256 HydrophobicContact CD1-CD2 4.24Å; I3-L256 HydrophobicContact CD1-CG 3.97Å; I3-L256 HydrophobicContact CG1-CD1 4.08Å; I3-L256 HydrophobicContact CG1-CG 4.22Å; I3-L256 HydrophobicContact CG2-CD1 4.23Å; L166-L256 HydrophobicContact CB-CB 4.35Å; L166-L256 HydrophobicContact CD1-CB 4.09Å; M168-L256 HydrophobicContact CB-CD2 4.12Å; M168-L256 HydrophobicContact CE-CD2 4.29Å; M168-L256 HydrophobicContact SD-CD2 3.94Å; F239-L256 HydrophobicContact CE1-CD2 3.86Å; D254-L256 VanDerWaalsContact C-N 3.34Å; D254-L256 PolarHBondContact O-N 2.79Å; D254-L256 PolarHBondContact OD1-N 2.92Å; L256-L259 PolarHBondContact O-N 2.88Å; L256-M260 WeakPolarHBondContact O-CB 3.36Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.31Å; L256-M260 PolarHBondContact O-N 2.92Å
257G90.8Very high82.5Confident14 Ų1452 Ų5214%0.14429%0.287CS..Hα-helixtrans-57-53.3173.400000111.3D254 L259 M260 E261D254-G257 PolarHBondContact OD1-N 2.97Å; D254-G257 VanDerWaalsContact OD1-N 3.12Å; G257-L259 VanDerWaalsContact C-N 3.33Å; G257-L259 PolarHBondContact O-N 2.73Å; G257-M260 PolarHBondContact O-N 3.41Å; G257-M260 VanDerWaalsContact O-N 3.14Å; G257-E261 WeakPolarHBondContact O-CB 3.43Å; G257-E261 PolarHBondContact O-N 3.05Å
258D90.1Very high84.3Confident31 Ų3152 Ų5217%0.16627%0.271CS..Hα-helixtrans-61.4-40.5179.1-61.2-16.5000111.9R252 D254 M260 H262 W380R252-D258 VanDerWaalsContact CB-OD2 3.31Å; R252-D258 WeakPolarHBondContact CB-OD2 3.24Å; R252-D258 VanDerWaalsContact CD-OD2 3.26Å; R252-D258 WeakPolarHBondContact CD-OD2 3.29Å; R252-D258 IonicContact CZ-OD2 2.76Å; R252-D258 IonicContact NE-OD2 3.24Å; R252-D258 IonicContact NH1-OD2 3.76Å; R252-D258 PolarHBondContact NH1-OD2 3.29Å; D254-D258 VanDerWaalsContact O-CB 3.31Å; D254-D258 WeakPolarHBondContact O-CB 3.47Å; D254-D258 PolarHBondContact O-N 2.82Å; D258-M260 VanDerWaalsContact C-N 3.33Å; D258-M260 PolarHBondContact O-N 3.29Å; D258-H262 PolarHBondContact O-N 2.82Å; D258-H262 PolarHBondContact O-ND1 3.38Å; D258-W380 HydrophobicContact CB-CH2 4.11Å; D258-W380 HydrophobicContact CB-CZ2 3.84Å
259L92.1Very high86Confident3 Ų350.3 Ų50.32%0.01626%0.258CS..Hα-helixtrans-61.2-44.7176.7-83.2169.1000111M168 V238 F239 P255 L256 G257 L263 L345 W380M168-L259 HydrophobicContact CE-CB 3.95Å; M168-L259 HydrophobicContact CE-CD1 3.91Å; M168-L259 HydrophobicContact SD-CD1 4.23Å; V238-L259 HydrophobicContact CG1-CD1 3.94Å; V238-L259 HydrophobicContact CG1-CD2 4.01Å; F239-L259 HydrophobicContact CD1-CD1 4.42Å; F239-L259 HydrophobicContact CE1-CD1 3.94Å; P255-L259 VanDerWaalsContact O-CB 3.28Å; P255-L259 WeakPolarHBondContact O-CB 3.33Å; P255-L259 WeakPolarHBondContact O-CD1 3.46Å; P255-L259 WeakPolarHBondContact O-CG 3.44Å; P255-L259 PolarHBondContact O-N 2.97Å; L256-L259 PolarHBondContact O-N 2.88Å; G257-L259 VanDerWaalsContact C-N 3.33Å; G257-L259 PolarHBondContact O-N 2.73Å; L259-L263 HydrophobicContact CD2-CD1 3.82Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.49Å; L259-L345 HydrophobicContact CD2-CD2 3.59Å; L259-W380 HydrophobicContact CB-CH2 4.32Å; L259-W380 HydrophobicContact CD2-CH2 3.47Å; L259-W380 VanDerWaalsContact CD2-CH2 3.47Å; L259-W380 HydrophobicContact CD2-CZ3 3.54Å; L259-W380 HydrophobicContact CG-CH2 3.63Å; L259-W380 HydrophobicContact CG-CZ3 3.95Å
260M92.1Very high87.6Confident17 Ų1746.4 Ų46.48%0.08423%0.227CC..Hα-helixtrans-70.6-42.3-176.8-69.4178.2-172.900112L166 M168 D199 A200 L256 G257 D258 H262 L263 V264L166-M260 HydrophobicContact CB-CE 3.79Å; L166-M260 HydrophobicContact CB-SD 3.76Å; L166-M260 HydrophobicContact CD1-SD 3.78Å; L166-M260 HydrophobicContact CD2-SD 3.62Å; L166-M260 HydrophobicContact CG-SD 3.9Å; M168-M260 HydrophobicContact CB-CE 3.86Å; M168-M260 HydrophobicContact CE-CE 4.17Å; M168-M260 HydrophobicContact CE-CG 4.45Å; D199-M260 HydrophobicContact CB-CE 3.68Å; D199-M260 HydrophobicContact CB-SD 3.5Å; D199-M260 VanDerWaalsContact CB-SD 3.5Å; A200-M260 HydrophobicContact CB-CE 4.04Å; A200-M260 HydrophobicContact CB-CG 4.31Å; L256-M260 WeakPolarHBondContact O-CB 3.36Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.31Å; L256-M260 PolarHBondContact O-N 2.92Å; G257-M260 PolarHBondContact O-N 3.41Å; G257-M260 VanDerWaalsContact O-N 3.14Å; D258-M260 VanDerWaalsContact C-N 3.33Å; D258-M260 PolarHBondContact O-N 3.29Å; M260-H262 VanDerWaalsContact C-N 3.29Å; M260-H262 PolarHBondContact O-N 3.1Å; M260-L263 PolarHBondContact O-N 3Å; M260-V264 WeakPolarHBondContact O-CA 3.47Å; M260-V264 PolarHBondContact O-N 3.47Å
261E91.6Very high89Confident144 Ų14440.5 Ų40.567%0.67320%0.2SC*.Hα-helixtrans-55.1-45176.8-177.9177.6-170.400111.7G257G257-E261 WeakPolarHBondContact O-CB 3.43Å; G257-E261 PolarHBondContact O-N 3.05Å
262H92Very high90Very high46 Ų4640 Ų4021%0.21320%0.198CC..Hα-helixtrans-85.9-20.7-176.2-6296.6000114D258 M260 A343 S378 W380D258-H262 PolarHBondContact O-N 2.82Å; D258-H262 PolarHBondContact O-ND1 3.38Å; M260-H262 VanDerWaalsContact C-N 3.29Å; M260-H262 PolarHBondContact O-N 3.1Å; H262-A343 VanDerWaalsContact O-CB 3.32Å; H262-A343 WeakPolarHBondContact O-CB 3.37Å; H262-S378 PolarHBondContact CD2-OG 3.45Å; H262-W380 AromaticContact ND1-CZ2 3.87Å
263L94.7Very high91Very high0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-115.4-21-171.2-66.8168.2000115L259 M260 P265 L272 L345 V396 N398L259-L263 HydrophobicContact CD2-CD1 3.82Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 3.49Å; M260-L263 PolarHBondContact O-N 3Å; L263-P265 VanDerWaalsContact O-CD 3.26Å; L263-P265 WeakPolarHBondContact O-CD 3.44Å; L263-L272 HydrophobicContact CB-CD1 4.35Å; L263-L272 HydrophobicContact CB-CD2 3.78Å; L263-L272 HydrophobicContact CD1-CD1 4.11Å; L263-L272 HydrophobicContact CD1-CD2 4.45Å; L263-L345 HydrophobicContact CD1-CB 4.29Å; L263-L345 HydrophobicContact CD1-CD2 4.13Å; L263-L345 HydrophobicContact CD2-CB 3.67Å; L263-L345 HydrophobicContact CG-CB 4.1Å; L263-V396 HydrophobicContact CD1-CB 3.81Å; L263-V396 HydrophobicContact CD1-CG1 3.43Å; L263-V396 VanDerWaalsContact CD1-CG1 3.43Å; L263-V396 HydrophobicContact CD2-CB 4.41Å; L263-V396 HydrophobicContact CD2-CG1 4.42Å; L263-V396 WeakPolarHBondContact CD2-O 3.35Å; L263-N398 VanDerWaalsContact O-CB 3.31Å; L263-N398 WeakPolarHBondContact O-CB 3.49Å; L263-N398 PolarHBondContact O-ND2 3.34Å
264V95Very high92.1Very high27 Ų2731.6 Ų31.616%0.16417%0.169CC..  trans-121.372.4-175.7-172.40000108.9A200 M260 H266 K270 L272A200-V264 HydrophobicContact CB-CG2 4.13Å; M260-V264 WeakPolarHBondContact O-CA 3.47Å; M260-V264 PolarHBondContact O-N 3.47Å; V264-H266 PolarHBondContact O-N 2.86Å; V264-K270 HydrophobicContact CG1-CG 4.19Å; V264-L272 HydrophobicContact CG2-CD1 4.49Å; V264-L272 HydrophobicContact CG2-CD2 4.29Å
265P91.4Very high92.6Very high53 Ų5329.9 Ų29.934%0.34416%0.16SC..SBendtrans-70.7-19.3-178.827.7-34.5000113.2L263 I342 W370 L371L263-P265 VanDerWaalsContact O-CD 3.26Å; L263-P265 WeakPolarHBondContact O-CD 3.44Å; P265-I342 HydrophobicContact CG-CG2 3.4Å; P265-I342 VanDerWaalsContact CG-CG2 3.4Å; P265-W370 HydrophobicContact CG-CH2 4.02Å; P265-L371 HydrophobicContact CB-CD2 4.38Å; P265-L371 HydrophobicContact CG-CD2 4.19Å
266H92.3Very high93.1Very high82 Ų8230 Ų3038%0.3816%0.161SC..SBendtrans-140.6138178.4-171.2-98.4000111V264 E268 F269 W370V264-H266 PolarHBondContact O-N 2.86Å; H266-E268 IonicContact CE1-OE2 3.8Å; H266-E268 WeakPolarHBondContact ND1-CB 3.29Å; H266-E268 PolarHBondContact ND1-N 3.22Å; H266-E268 PolarHBondContact O-N 2.98Å; H266-F269 HydrophobicContact CB-CD2 3.98Å; H266-F269 PolarHBondContact O-N 3.11Å; H266-W370 HydrophobicContact CB-CH2 4.48Å
267P90.3Very high93.2Very high89 Ų8930.1 Ų30.158%0.57816%0.161SC*.THydrogen-bonded Turntrans-61.4-17.1-177.2-2534.4000115.5F269 K270P267-F269 VanDerWaalsContact C-N 3.34Å; P267-K270 VanDerWaalsContact O-CD 3.27Å; P267-K270 WeakPolarHBondContact O-CD 3.48Å; P267-K270 WeakPolarHBondContact O-CE 3.47Å; P267-K270 VanDerWaalsContact O-CG 3.28Å; P267-K270 WeakPolarHBondContact O-CG 3.46Å
268E91.3Very high93.1Very high56 Ų5629.6 Ų29.626%0.26216%0.155SC..THydrogen-bonded Turntrans-75.3-27.3175.2-167.8167.9-171.900112.3H266 S449H266-E268 IonicContact CE1-OE2 3.8Å; H266-E268 WeakPolarHBondContact ND1-CB 3.29Å; H266-E268 PolarHBondContact ND1-N 3.22Å; H266-E268 PolarHBondContact O-N 2.98Å; E268-S449 VanDerWaalsContact OE1-CB 3.25Å; E268-S449 WeakPolarHBondContact OE1-CB 3.33Å; E268-S449 PolarHBondContact OE1-OG 3.33Å
269F94.8Very high92.9Very high15 Ų1528.6 Ų28.67%0.06615%0.149CC..  trans-107.180-173.9-58.3-66.6000110.9H266 P267 I342 W370 N398 Y450 L453H266-F269 HydrophobicContact CB-CD2 3.98Å; H266-F269 PolarHBondContact O-N 3.11Å; P267-F269 VanDerWaalsContact C-N 3.34Å; F269-I342 HydrophobicContact CB-CD1 3.4Å; F269-I342 HydrophobicContact CD1-CD1 3.43Å; F269-I342 VanDerWaalsContact CD1-CD1 3.43Å; F269-I342 HydrophobicContact CD2-CD1 3.61Å; F269-I342 HydrophobicContact CE1-CD1 4.05Å; F269-I342 HydrophobicContact CE2-CD1 4.23Å; F269-I342 HydrophobicContact CG-CD1 3.19Å; F269-I342 HydrophobicContact CZ-CD1 4.43Å; F269-W370 HydrophobicContact CD2-CH2 4.39Å; F269-W370 HydrophobicContact CD2-CZ2 4.03Å; F269-W370 HydrophobicContact CE2-CH2 4.49Å; F269-W370 AromaticContact CE2-CZ2 3.83Å; F269-W370 HydrophobicContact CE2-CZ2 3.83Å; F269-N398 PolarHBondContact O-ND2 3.48Å; F269-Y450 WeakPolarHBondContact CA-OH 3.43Å; F269-Y450 HydrophobicContact CB-CE1 4.47Å; F269-Y450 HydrophobicContact CB-CE2 4.33Å; F269-Y450 HydrophobicContact CD1-CD1 4.1Å; F269-Y450 AromaticContact CD1-CD2 3.74Å; F269-Y450 HydrophobicContact CD1-CD2 3.74Å; F269-Y450 AromaticContact CD1-CE1 3.93Å; F269-Y450 HydrophobicContact CD1-CE1 3.93Å; F269-Y450 AromaticContact CD1-CE2 3.56Å; F269-Y450 HydrophobicContact CD1-CE2 3.56Å; F269-Y450 HydrophobicContact CD1-CG 4.01Å; F269-Y450 AromaticContact CD1-CZ 3.66Å; F269-Y450 HydrophobicContact CE1-CD2 4.17Å; F269-Y450 HydrophobicContact CE1-CE2 4.42Å; F269-Y450 HydrophobicContact CE1-CG 4.25Å; F269-Y450 HydrophobicContact CG-CE2 4.41Å; F269-L453 HydrophobicContact CE1-CD1 4.42Å; F269-L453 HydrophobicContact CE1-CD2 4.12Å; F269-L453 HydrophobicContact CE1-CG 4.4Å; F269-L453 HydrophobicContact CZ-CD2 4.01Å
270K95.4Very high92.5Very high26 Ų2630.2 Ų30.211%0.11316%0.157CC..  trans-104.7-5.4-174-65.3174.3167.5175.10114.8Y195 S198 D199 L201 V264 P267 Y450Y195-K270 HydrophobicContact CD1-CD 4.43Å; Y195-K270 HydrophobicContact CE1-CB 4.32Å; Y195-K270 PolarHBondContact O-NZ 3.09Å; S198-K270 WeakPolarHBondContact O-CD 3.5Å; S198-K270 WeakPolarHBondContact O-CE 3.17Å; S198-K270 PolarHBondContact O-NZ 2.92Å; D199-K270 WeakPolarHBondContact O-CG 3.34Å; L201-K270 HydrophobicContact CG-CB 4.49Å; L201-K270 PolarHBondContact N-O 2.98Å; V264-K270 HydrophobicContact CG1-CG 4.19Å; P267-K270 VanDerWaalsContact O-CD 3.27Å; P267-K270 WeakPolarHBondContact O-CD 3.48Å; P267-K270 WeakPolarHBondContact O-CE 3.47Å; P267-K270 VanDerWaalsContact O-CG 3.28Å; P267-K270 WeakPolarHBondContact O-CG 3.46Å; K270-Y450 PolarHBondContact N-OH 2.84Å
271M96.5Very high92.1Very high1 Ų130.5 Ų30.51%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-82.5119.9-176.1-71.8-178.3-56.500112.3Y195 I203 N398 L402 L406 V446 Y450Y195-M271 HydrophobicContact CE2-CG 4.25Å; Y195-M271 HydrophobicContact CE2-SD 4.28Å; Y195-M271 VanDerWaalsContact OH-CE 3.24Å; Y195-M271 WeakPolarHBondContact OH-CE 3.49Å; Y195-M271 WeakPolarHBondContact OH-CG 3.4Å; Y195-M271 PolarHBondContact OH-SD 3.11Å; I203-M271 HydrophobicContact CD1-CB 4.24Å; I203-M271 HydrophobicContact CD1-CG 3.7Å; I203-M271 HydrophobicContact CD1-SD 3.94Å; M271-N398 PolarHBondContact O-OD1 3.39Å; M271-L402 HydrophobicContact CB-CD1 3.96Å; M271-L402 HydrophobicContact CE-CB 4.44Å; M271-L402 HydrophobicContact SD-CB 4.23Å; M271-L406 HydrophobicContact CE-CD2 4.17Å; M271-L406 HydrophobicContact SD-CD2 4.24Å; M271-V446 HydrophobicContact CE-CG1 3.86Å; M271-Y450 HydrophobicContact CE-CD1 4.4Å; M271-Y450 HydrophobicContact CE-CD2 3.51Å; M271-Y450 HydrophobicContact CE-CE1 4.26Å; M271-Y450 HydrophobicContact CE-CE2 3.32Å; M271-Y450 HydrophobicContact CE-CG 4.06Å; M271-Y450 PolarHBondContact N-OH 2.75Å
272L97Very high91.5Very high1 Ų128.6 Ų28.61%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-114131.3179.5-54.3-178.5000110.1M168 A200 L201 L202 I203 L263 V264 V396 N398M168-L272 HydrophobicContact CE-CD1 4.36Å; A200-L272 HydrophobicContact CB-CD1 3.99Å; L201-L272 PolarHBondContact O-N 2.78Å; L202-L272 HydrophobicContact CD1-CB 3.74Å; I203-L272 PolarHBondContact N-O 2.87Å; L263-L272 HydrophobicContact CB-CD1 4.35Å; L263-L272 HydrophobicContact CB-CD2 3.78Å; L263-L272 HydrophobicContact CD1-CD1 4.11Å; L263-L272 HydrophobicContact CD1-CD2 4.45Å; V264-L272 HydrophobicContact CG2-CD1 4.49Å; V264-L272 HydrophobicContact CG2-CD2 4.29Å; L272-V396 HydrophobicContact CB-CG1 4.19Å; L272-N398 HydrophobicContact CD2-CB 3.77Å
273G95.3Very high91.1Very high3 Ų332.3 Ų32.33%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-108.1144.2170.100000111.5V396 S397G273-V396 WeakPolarHBondContact O-CA 3.34Å; G273-S397 PolarHBondContact N-O 3.14Å; G273-S397 PolarHBondContact O-N 3.25Å
274V95.1Very high90.5Very high17 Ų1737 Ų3710%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-113.3137.8178-176.20000110.5L202 Q234 V238 N276 L395 V396L202-V274 HydrophobicContact CD1-CG2 3.37Å; L202-V274 HydrophobicContact CD2-CG2 4.25Å; L202-V274 HydrophobicContact CG-CG2 4.03Å; Q234-V274 HydrophobicContact CB-CG1 4.31Å; V238-V274 HydrophobicContact CG2-CG1 4.05Å; V238-V274 HydrophobicContact CG2-CG2 4.48Å; V274-N276 WeakPolarHBondContact CG1-OD1 3.34Å; V274-L395 CarbonylContact C-O 3.59Å; V274-L395 WeakPolarHBondContact CA-O 3.11Å; V274-V396 HydrophobicContact CG2-CG1 4.42Å; V274-V396 HydrophobicContact CG2-CG2 4.39Å
275R93.7Very high90Very high1 Ų137.2 Ų37.20%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-132.9134.7172-60.2176.6-173.787.5-10.4109L299 M302 A307 A394 L395 S397R275-L299 HydrophobicContact CB-CD1 4.33Å; R275-M302 HydrophobicContact CB-CE 4.1Å; R275-M302 HydrophobicContact CG-CE 4.33Å; R275-A307 WeakPolarHBondContact CD-O 3.34Å; R275-A307 PolarHBondContact NE-O 2.57Å; R275-A394 CarbonylContact O-C 3.5Å; R275-A394 VanDerWaalsContact O-CA 3.29Å; R275-A394 WeakPolarHBondContact O-CA 3.4Å; R275-L395 HydrophobicContact CB-CB 4.42Å; R275-L395 PolarHBondContact N-O 3.27Å; R275-L395 PolarHBondContact O-N 2.96Å; R275-S397 PolarHBondContact NH1-OG 3.2Å
276N92.9Very high89.5Confident4 Ų439 Ų392%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-125.3143.2178.3-75.334.7000110.6Q234 N237 V274 Q279 A393 A394Q234-N276 WeakPolarHBondContact CA-ND2 3.3Å; Q234-N276 HydrophobicContact CG-CB 4.21Å; N237-N276 VanDerWaalsContact CB-ND2 3.26Å; N237-N276 WeakPolarHBondContact CB-ND2 3.49Å; N237-N276 VanDerWaalsContact CG-ND2 3.32Å; N237-N276 PolarHBondContact ND2-ND2 2.69Å; V274-N276 WeakPolarHBondContact CG1-OD1 3.34Å; N276-Q279 HydrophobicContact CB-CG 4.2Å; N276-Q279 WeakPolarHBondContact O-CG 3.45Å; N276-A393 WeakPolarHBondContact CA-O 3.5Å; N276-A394 WeakPolarHBondContact OD1-CB 3.22Å
277I92.4Very high89.1Confident3 Ų344.6 Ų44.62%0.01523%0.232CC..EExtended strand (participates in β ladder)trans-141.8152.5170.560.5168.5000110.2L295 L299 M302 E310 S392 A393I277-L295 HydrophobicContact CB-CD2 4.47Å; I277-L295 HydrophobicContact CD1-CB 3.76Å; I277-L295 HydrophobicContact CD1-CD2 3.95Å; I277-L295 HydrophobicContact CD1-CG 4.45Å; I277-L295 WeakPolarHBondContact CD1-O 3.29Å; I277-L295 HydrophobicContact CG1-CD2 4.27Å; I277-L299 HydrophobicContact CD1-CB 3.66Å; I277-L299 HydrophobicContact CD1-CD1 4.24Å; I277-L299 HydrophobicContact CD1-CD2 4.45Å; I277-L299 HydrophobicContact CD1-CG 4.35Å; I277-L299 HydrophobicContact CG1-CB 4.46Å; I277-L299 HydrophobicContact CG1-CD1 4.2Å; I277-M302 HydrophobicContact CG2-CE 4.39Å; I277-M302 HydrophobicContact CG2-SD 3.84Å; I277-E310 HydrophobicContact CG2-CG 3.92Å; I277-S392 WeakPolarHBondContact O-CA 3.47Å; I277-A393 HydrophobicContact CD1-CB 4.47Å; I277-A393 HydrophobicContact CG1-CB 3.98Å; I277-A393 PolarHBondContact N-O 2.95Å; I277-A393 PolarHBondContact O-N 2.81Å; I277-A393 VanDerWaalsContact O-O 3.06Å
278P90.1Very high88.8Confident2 Ų242.1 Ų42.11%0.01322%0.217CC..  cis-69.1153.5-16.831.7-34.5000110.7F290 L295 Y389 K391P278-F290 HydrophobicContact CB-CD1 4.06Å; P278-F290 HydrophobicContact CB-CE1 3.43Å; P278-F290 VanDerWaalsContact CB-CE1 3.43Å; P278-F290 HydrophobicContact CB-CZ 3.76Å; P278-F290 HydrophobicContact CG-CD1 3.89Å; P278-F290 HydrophobicContact CG-CD2 4.27Å; P278-F290 HydrophobicContact CG-CE1 3.52Å; P278-F290 HydrophobicContact CG-CE2 3.93Å; P278-F290 HydrophobicContact CG-CG 4.26Å; P278-F290 HydrophobicContact CG-CZ 3.54Å; P278-L295 HydrophobicContact CB-CD2 4.44Å; P278-Y389 HydrophobicContact CB-CE1 4.33Å; P278-Y389 HydrophobicContact CG-CD1 3.5Å; P278-Y389 VanDerWaalsContact CG-CD1 3.5Å; P278-Y389 HydrophobicContact CG-CE1 3.66Å; P278-Y389 HydrophobicContact CG-CG 4.48Å; P278-K391 WeakPolarHBondContact CD-O 3.48Å
279Q84.8Confident88.6Confident10 Ų1045.9 Ų45.95%0.04724%0.244CC..  trans-123.9110.6169.4-79.8-172.7-26.900107.1Q216 Q234 N276Q216-Q279 WeakPolarHBondContact CB-O 3.36Å; Q234-Q279 VanDerWaalsContact NE2-NE2 3.12Å; N276-Q279 HydrophobicContact CB-CG 4.2Å; N276-Q279 WeakPolarHBondContact O-CG 3.45Å
280M84.1Confident88.3Confident37 Ų3746.7 Ų46.718%0.18225%0.248CC..  trans-156.7162.8179.258.8167.343.500112.7M217 F284 L285 S288 F290 Y389M217-M280 VanDerWaalsContact SD-O 3.41Å; M280-F284 HydrophobicContact CE-CB 4.36Å; M280-F284 HydrophobicContact SD-CB 3.84Å; M280-L285 HydrophobicContact CG-CD2 3.65Å; M280-L285 HydrophobicContact CG-CG 4.36Å; M280-L285 HydrophobicContact SD-CD2 3.76Å; M280-L285 HydrophobicContact SD-CG 4.42Å; M280-S288 WeakPolarHBondContact CE-OG 3.34Å; M280-S288 PolarHBondContact SD-OG 3.1Å; M280-S288 VanDerWaalsContact SD-OG 3.38Å; M280-F290 HydrophobicContact CE-CZ 4.35Å; M280-F290 HydrophobicContact SD-CZ 3.9Å; M280-Y389 HydrophobicContact CG-CE1 4.32Å; M280-Y389 PolarHBondContact N-OH 3.01Å; M280-Y389 PolarHBondContact O-OH 3.41Å
281S83.3Confident88.1Confident23 Ų2349.4 Ų49.416%0.16127%0.267CS..  trans-63.1145.9173.4-174.40000111.9Q216 N283 F284Q216-S281 PolarHBondContact O-N 3.02Å; S281-N283 PolarHBondContact O-N 3.01Å; S281-N283 VanDerWaalsContact O-N 3.13Å; S281-F284 PolarHBondContact O-N 3.13Å
282E79.6Confident88.1Confident105 Ų10549.6 Ų49.649%0.49127%0.267SS..Hα-helixtrans-57.1-31.4-179.5-60.1-173.4-177.300113.2F284 L285 K388E282-F284 PolarHBondContact O-N 2.78Å; E282-L285 HydrophobicContact CB-CD1 4.4Å; E282-L285 HydrophobicContact CG-CD1 4.41Å; E282-L285 WeakPolarHBondContact O-CB 3.28Å; E282-L285 PolarHBondContact O-N 2.79Å; E282-L285 VanDerWaalsContact O-N 3.16Å; E282-K388 HydrophobicContact CG-CD 4.29Å; E282-K388 IonicContact OE1-NZ 2.64Å; E282-K388 PolarHBondContact OE1-NZ 3.11Å; E282-K388 IonicContact OE2-NZ 2.68Å; E282-K388 PolarHBondContact OE2-NZ 2.87Å
283N82.3Confident87.9Confident124 Ų12454.3 Ų54.366%0.66330%0.298SS*.Hα-helixtrans-61.7-27.4178.7-65.2-23.8000112.7S281 Y287S281-N283 PolarHBondContact O-N 3.01Å; S281-N283 VanDerWaalsContact O-N 3.13Å; N283-Y287 VanDerWaalsContact O-CD2 3.29Å; N283-Y287 WeakPolarHBondContact O-CD2 3.34Å; N283-Y287 VanDerWaalsContact O-CE2 3.31Å; N283-Y287 WeakPolarHBondContact O-CE2 3.38Å
284F83.6Confident87.8Confident99 Ų9955.3 Ų55.343%0.43431%0.308SS..Hα-helixtrans-92.5-16.5179.8-62.8-66.5000113.1M280 S281 E282 A286 Y287 S288M280-F284 HydrophobicContact CE-CB 4.36Å; M280-F284 HydrophobicContact SD-CB 3.84Å; S281-F284 PolarHBondContact O-N 3.13Å; E282-F284 PolarHBondContact O-N 2.78Å; F284-A286 VanDerWaalsContact C-N 3.31Å; F284-A286 PolarHBondContact O-N 3.08Å; F284-Y287 PolarHBondContact O-N 2.82Å; F284-Y287 VanDerWaalsContact O-N 3.11Å; F284-S288 WeakPolarHBondContact O-CB 3.24Å; F284-S288 PolarHBondContact O-N 2.81Å; F284-S288 PolarHBondContact O-OG 2.73Å
285L83Confident87.8Confident30 Ų3054.9 Ų54.916%0.15731%0.305CS..Hα-helixtrans-60.3-40.9-178.5-67.9176.1000112.1M280 E282 Y287 S288 F290 K388 Y389M280-L285 HydrophobicContact CG-CD2 3.65Å; M280-L285 HydrophobicContact CG-CG 4.36Å; M280-L285 HydrophobicContact SD-CD2 3.76Å; M280-L285 HydrophobicContact SD-CG 4.42Å; E282-L285 HydrophobicContact CB-CD1 4.4Å; E282-L285 HydrophobicContact CG-CD1 4.41Å; E282-L285 WeakPolarHBondContact O-CB 3.28Å; E282-L285 PolarHBondContact O-N 2.79Å; E282-L285 VanDerWaalsContact O-N 3.16Å; L285-Y287 PolarHBondContact O-N 3.36Å; L285-S288 PolarHBondContact O-N 2.93Å; L285-F290 HydrophobicContact CD2-CE2 4.3Å; L285-F290 HydrophobicContact CD2-CZ 4.36Å; L285-K388 HydrophobicContact CD1-CB 4.06Å; L285-Y389 HydrophobicContact CD1-CE1 4.48Å; L285-Y389 HydrophobicContact CD2-CD1 3.61Å; L285-Y389 HydrophobicContact CD2-CE1 3.28Å; L285-Y389 HydrophobicContact CG-CE1 4.48Å
286A81.2Confident87.8Confident90 Ų9055.2 Ų55.274%0.74431%0.307SS*.THydrogen-bonded Turntrans-64.1-20.5-18000000113.7F284F284-A286 VanDerWaalsContact C-N 3.31Å; F284-A286 PolarHBondContact O-N 3.08Å
287Y84.3Confident87.9Confident200 Ų20061.3 Ų61.378%0.78433%0.333SS*.THydrogen-bonded Turntrans-108.20.6-178.3-52.3-74.2000113N283 F284 L285N283-Y287 VanDerWaalsContact O-CD2 3.29Å; N283-Y287 WeakPolarHBondContact O-CD2 3.34Å; N283-Y287 VanDerWaalsContact O-CE2 3.31Å; N283-Y287 WeakPolarHBondContact O-CE2 3.38Å; F284-Y287 PolarHBondContact O-N 2.82Å; F284-Y287 VanDerWaalsContact O-N 3.11Å; L285-Y287 PolarHBondContact O-N 3.36Å
288S84.8Confident87.9Confident37 Ų3764 Ų6426%0.25935%0.345SS..  trans-104.6135.7-175.4-61.70000110.4M280 F284 L285M280-S288 WeakPolarHBondContact CE-OG 3.34Å; M280-S288 PolarHBondContact SD-OG 3.1Å; M280-S288 VanDerWaalsContact SD-OG 3.38Å; F284-S288 WeakPolarHBondContact O-CB 3.24Å; F284-S288 PolarHBondContact O-N 2.81Å; F284-S288 PolarHBondContact O-OG 2.73Å; L285-S288 PolarHBondContact O-N 2.93Å
289T85.7Confident88.2Confident136 Ų13663.9 Ų63.983%0.83435%0.345SS*.  trans-115.7125.4173.551.90000109.3
290F88.6Confident88.6Confident32 Ų3266.5 Ų66.514%0.1435%0.354CS..  trans-106.3128.1-176.8-56.1-65.9000110.6P278 M280 L285 L295 K391P278-F290 HydrophobicContact CB-CD1 4.06Å; P278-F290 HydrophobicContact CB-CE1 3.43Å; P278-F290 VanDerWaalsContact CB-CE1 3.43Å; P278-F290 HydrophobicContact CB-CZ 3.76Å; P278-F290 HydrophobicContact CG-CD1 3.89Å; P278-F290 HydrophobicContact CG-CD2 4.27Å; P278-F290 HydrophobicContact CG-CE1 3.52Å; P278-F290 HydrophobicContact CG-CE2 3.93Å; P278-F290 HydrophobicContact CG-CG 4.26Å; P278-F290 HydrophobicContact CG-CZ 3.54Å; M280-F290 HydrophobicContact CE-CZ 4.35Å; M280-F290 HydrophobicContact SD-CZ 3.9Å; L285-F290 HydrophobicContact CD2-CE2 4.3Å; L285-F290 HydrophobicContact CD2-CZ 4.36Å; F290-L295 HydrophobicContact CB-CD1 4.12Å; F290-L295 HydrophobicContact CB-CG 4.48Å; F290-L295 HydrophobicContact CD1-CD2 4.12Å; F290-K391 HydrophobicContact CB-CB 4.27Å; F290-K391 WeakPolarHBondContact O-CD 3.49Å; F290-K391 PolarHBondContact O-NZ 3.17Å
291T92.9Very high89.1Confident82 Ų8265.7 Ų65.750%0.50335%0.35SS..  trans-117.6140.7174.263.90000109.3G294 L295T291-G294 PolarHBondContact O-N 3.43Å; T291-G294 PolarHBondContact OG1-N 3.32Å; T291-L295 PolarHBondContact O-N 3.23Å
292W94.8Very high89.5Confident6 Ų664.6 Ų64.62%0.02334%0.343CS..Hα-helixtrans-57-45.7179.1-71.2122.2000113G294 L295 L296 L348 R349 K351 D352 V353 A356 K391 A393W292-G294 VanDerWaalsContact C-N 3.27Å; W292-G294 PolarHBondContact O-N 3.37Å; W292-L295 HydrophobicContact CE3-CD1 4.25Å; W292-L295 HydrophobicContact CZ3-CD1 4.27Å; W292-L295 PolarHBondContact O-N 2.85Å; W292-L296 HydrophobicContact CB-CD1 4.46Å; W292-L296 WeakPolarHBondContact O-CB 3.33Å; W292-L296 VanDerWaalsContact O-CG 3.24Å; W292-L296 WeakPolarHBondContact O-CG 3.5Å; W292-L296 PolarHBondContact O-N 3.49Å; W292-L348 HydrophobicContact CH2-CB 4.08Å; W292-L348 HydrophobicContact CZ3-CB 4.22Å; W292-L348 HydrophobicContact CZ3-CD2 3.93Å; W292-R349 WeakPolarHBondContact CH2-O 3.29Å; W292-K351 PolarHBondContact NE1-O 2.94Å; W292-D352 PolarHBondContact NE1-O 2.77Å; W292-V353 HydrophobicContact CH2-CG2 4.34Å; W292-V353 HydrophobicContact CZ2-CB 4.05Å; W292-V353 HydrophobicContact CZ2-CG2 4.02Å; W292-A356 HydrophobicContact CB-CB 4.17Å; W292-A356 HydrophobicContact CD2-CB 3.92Å; W292-A356 HydrophobicContact CE3-CB 4.29Å; W292-A356 HydrophobicContact CG-CB 3.87Å; W292-K391 HydrophobicContact CD2-CD 4.07Å; W292-K391 HydrophobicContact CG-CD 4.3Å; W292-K391 HydrophobicContact CH2-CB 4.02Å; W292-K391 HydrophobicContact CZ2-CB 4Å; W292-K391 HydrophobicContact CZ2-CD 4.08Å; W292-K391 HydrophobicContact CZ2-CG 4Å; W292-K391 HydrophobicContact CZ3-CB 4.43Å; W292-A393 HydrophobicContact CZ3-CB 4.47Å
293P94.3Very high90.2Very high100 Ų10059.7 Ų59.765%0.64932%0.319SS*.Hα-helixtrans-59-38.5176.7-25.835.8000113.1K297P293-K297 WeakPolarHBondContact O-CB 3.49Å; P293-K297 PolarHBondContact O-N 3.02Å; P293-K297 VanDerWaalsContact O-N 3.09Å
294G93Very high90.6Very high23 Ų2353.8 Ų53.824%0.23729%0.288CS..Hα-helixtrans-64.5-53.9176.600000111.9T291 W292 K297 H298T291-G294 PolarHBondContact O-N 3.43Å; T291-G294 PolarHBondContact OG1-N 3.32Å; W292-G294 VanDerWaalsContact C-N 3.27Å; W292-G294 PolarHBondContact O-N 3.37Å; G294-K297 PolarHBondContact O-N 3.13Å; G294-H298 PolarHBondContact O-N 3.02Å; G294-H298 PolarHBondContact O-ND1 3.37Å
295L93.9Very high90.9Very high8 Ų850.2 Ų50.24%0.04228%0.275CS..Hα-helixtrans-59-52-179.9-69.5177.4000111.3I277 P278 F290 T291 W292 K297 H298 L299 K391I277-L295 HydrophobicContact CB-CD2 4.47Å; I277-L295 HydrophobicContact CD1-CB 3.76Å; I277-L295 HydrophobicContact CD1-CD2 3.95Å; I277-L295 HydrophobicContact CD1-CG 4.45Å; I277-L295 WeakPolarHBondContact CD1-O 3.29Å; I277-L295 HydrophobicContact CG1-CD2 4.27Å; P278-L295 HydrophobicContact CB-CD2 4.44Å; F290-L295 HydrophobicContact CB-CD1 4.12Å; F290-L295 HydrophobicContact CB-CG 4.48Å; F290-L295 HydrophobicContact CD1-CD2 4.12Å; T291-L295 PolarHBondContact O-N 3.23Å; W292-L295 HydrophobicContact CE3-CD1 4.25Å; W292-L295 HydrophobicContact CZ3-CD1 4.27Å; W292-L295 PolarHBondContact O-N 2.85Å; L295-K297 VanDerWaalsContact C-N 3.31Å; L295-K297 PolarHBondContact O-N 3.39Å; L295-H298 PolarHBondContact O-N 3.23Å; L295-H298 VanDerWaalsContact O-N 3.13Å; L295-L299 PolarHBondContact O-N 3.3Å; L295-K391 HydrophobicContact CD1-CB 4.01Å
296L95.3Very high91.1Very high9 Ų949.8 Ų49.85%0.04728%0.278CS..Hα-helixtrans-64.4-35.3-176.3-64.5176.2000112.5W292 L299 R300 L348 A356 D357 V358 F361W292-L296 HydrophobicContact CB-CD1 4.46Å; W292-L296 WeakPolarHBondContact O-CB 3.33Å; W292-L296 VanDerWaalsContact O-CG 3.24Å; W292-L296 WeakPolarHBondContact O-CG 3.5Å; W292-L296 PolarHBondContact O-N 3.49Å; L296-L299 PolarHBondContact O-N 2.93Å; L296-R300 VanDerWaalsContact O-CB 3.27Å; L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.27Å; L296-L348 HydrophobicContact CD2-CD2 3.76Å; L296-A356 HydrophobicContact CD1-CB 4.1Å; L296-D357 WeakPolarHBondContact CD1-O 3.27Å; L296-V358 HydrophobicContact CD1-CG1 4.23Å; L296-V358 HydrophobicContact CD2-CG1 4.47Å; L296-F361 HydrophobicContact CB-CE2 4.23Å; L296-F361 HydrophobicContact CD2-CE2 4.14Å
297K93.6Very high91.5Very high131 Ų13145.9 Ų45.957%0.5725%0.246SC*.Hα-helixtrans-60.6-46.7172.7-179.6-176.1176.7-176.20111.9P293 G294 L295 Q301 W315P293-K297 WeakPolarHBondContact O-CB 3.49Å; P293-K297 PolarHBondContact O-N 3.02Å; P293-K297 VanDerWaalsContact O-N 3.09Å; G294-K297 PolarHBondContact O-N 3.13Å; L295-K297 VanDerWaalsContact C-N 3.31Å; L295-K297 PolarHBondContact O-N 3.39Å; K297-Q301 PolarHBondContact O-N 3.37Å; K297-W315 HydrophobicContact CD-CH2 4.46Å; K297-W315 HydrophobicContact CD-CZ3 4.47Å; K297-W315 HydrophobicContact CG-CH2 4.17Å; K297-W315 HydrophobicContact CG-CZ3 4.15Å
298H93.8Very high91.7Very high59 Ų5939.4 Ų39.427%0.27322%0.222SC..Hα-helixtrans-66.4-45.1178.4-7177.7000110.7G294 L295 R300 Q301 M302 E310 I313 W315G294-H298 PolarHBondContact O-N 3.02Å; G294-H298 PolarHBondContact O-ND1 3.37Å; L295-H298 PolarHBondContact O-N 3.23Å; L295-H298 VanDerWaalsContact O-N 3.13Å; H298-R300 VanDerWaalsContact C-N 3.34Å; H298-R300 PolarHBondContact O-N 2.97Å; H298-Q301 PolarHBondContact O-N 3.36Å; H298-Q301 VanDerWaalsContact O-N 3.17Å; H298-M302 VanDerWaalsContact O-CG 3.25Å; H298-M302 WeakPolarHBondContact O-CG 3.36Å; H298-M302 PolarHBondContact O-N 3.36Å; H298-E310 IonicContact CD2-OE1 2.57Å; H298-E310 IonicContact CG-OE1 2.73Å; H298-I313 HydrophobicContact CB-CD1 4.12Å; H298-W315 AromaticContact CD2-CZ2 3.74Å; H298-W315 AromaticContact NE2-CZ2 3.79Å
299L94.8Very high91.8Very high0 Ų038.4 Ų38.40%021%0.213CC..Hα-helixtrans-60.6-42.6178.9-164.858.6000112.4R275 I277 L295 L296 M302 L303 V346 F361 A393 L395R275-L299 HydrophobicContact CB-CD1 4.33Å; I277-L299 HydrophobicContact CD1-CB 3.66Å; I277-L299 HydrophobicContact CD1-CD1 4.24Å; I277-L299 HydrophobicContact CD1-CD2 4.45Å; I277-L299 HydrophobicContact CD1-CG 4.35Å; I277-L299 HydrophobicContact CG1-CB 4.46Å; I277-L299 HydrophobicContact CG1-CD1 4.2Å; L295-L299 PolarHBondContact O-N 3.3Å; L296-L299 PolarHBondContact O-N 2.93Å; L299-M302 WeakPolarHBondContact O-CB 3.45Å; L299-M302 PolarHBondContact O-N 3.36Å; L299-L303 PolarHBondContact O-N 3.03Å; L299-V346 HydrophobicContact CD2-CG1 4.48Å; L299-F361 HydrophobicContact CB-CZ 4.09Å; L299-F361 HydrophobicContact CD2-CZ 4.35Å; L299-F361 HydrophobicContact CG-CZ 4.24Å; L299-A393 HydrophobicContact CD2-CB 3.82Å; L299-L395 HydrophobicContact CD1-CB 3.67Å; L299-L395 HydrophobicContact CD1-CD2 4.2Å; L299-L395 HydrophobicContact CD2-CB 3.99Å; L299-L395 HydrophobicContact CG-CB 3.89Å; L299-L395 HydrophobicContact CG-CD2 4.18Å
300R94.3Very high91.7Very high65 Ų6534.4 Ų34.425%0.24519%0.185CC..Hα-helixtrans-63.4-44175.1-176.2179.4177.6-92.71.7111.2L296 H298 M302 L303 I304 G360 F361 D363L296-R300 VanDerWaalsContact O-CB 3.27Å; L296-R300 WeakPolarHBondContact O-CB 3.43Å; L296-R300 PolarHBondContact O-N 3.27Å; H298-R300 VanDerWaalsContact C-N 3.34Å; H298-R300 PolarHBondContact O-N 2.97Å; R300-M302 VanDerWaalsContact C-N 3.31Å; R300-M302 PolarHBondContact O-N 2.95Å; R300-L303 WeakPolarHBondContact O-CB 3.49Å; R300-L303 PolarHBondContact O-N 3.25Å; R300-I304 HydrophobicContact CG-CD1 3.92Å; R300-I304 VanDerWaalsContact O-CG1 3.29Å; R300-I304 WeakPolarHBondContact O-CG1 3.45Å; R300-I304 PolarHBondContact O-N 2.92Å; R300-G360 WeakPolarHBondContact CD-O 3.39Å; R300-G360 PolarHBondContact NE-O 3.04Å; R300-F361 HydrophobicContact CB-CE1 3.84Å; R300-F361 HydrophobicContact CB-CE2 4.19Å; R300-F361 HydrophobicContact CB-CZ 3.65Å; R300-F361 HydrophobicContact CG-CE1 4.36Å; R300-D363 IonicContact NH2-OD2 3.07Å; R300-D363 PolarHBondContact NH2-OD2 3.46Å
301Q93.6Very high91.5Very high20 Ų2037.8 Ų37.89%0.09320%0.201CC..Hα-helixtrans-67.5-35.2178-165.566.127.300111.7K297 H298 L303 I304 S305 I313 D314 W315 V317K297-Q301 PolarHBondContact O-N 3.37Å; H298-Q301 PolarHBondContact O-N 3.36Å; H298-Q301 VanDerWaalsContact O-N 3.17Å; Q301-L303 VanDerWaalsContact C-N 3.3Å; Q301-L303 PolarHBondContact O-N 3.42Å; Q301-I304 PolarHBondContact O-N 2.95Å; Q301-S305 WeakPolarHBondContact O-CB 3.34Å; Q301-S305 PolarHBondContact O-N 3.32Å; Q301-S305 PolarHBondContact O-OG 3.17Å; Q301-I313 HydrophobicContact CB-CG2 3.86Å; Q301-I313 HydrophobicContact CG-CG2 3.22Å; Q301-D314 PolarHBondContact NE2-O 3Å; Q301-W315 HydrophobicContact CB-CE3 4.1Å; Q301-W315 HydrophobicContact CB-CH2 4.07Å; Q301-W315 HydrophobicContact CB-CZ3 3.71Å; Q301-W315 HydrophobicContact CG-CD2 4.05Å; Q301-W315 HydrophobicContact CG-CE3 3.61Å; Q301-W315 HydrophobicContact CG-CH2 4.39Å; Q301-W315 HydrophobicContact CG-CZ3 3.79Å; Q301-V317 PolarHBondContact NE2-O 3.04Å
302M93Very high90.9Very high1 Ų135.9 Ų35.91%0.00520%0.198CC..Hα-helixtrans-61.9-37.6173.2-70.6171.163.500112.4R275 I277 H298 L299 R300 G306 A307 E310 I313R275-M302 HydrophobicContact CB-CE 4.1Å; R275-M302 HydrophobicContact CG-CE 4.33Å; I277-M302 HydrophobicContact CG2-CE 4.39Å; I277-M302 HydrophobicContact CG2-SD 3.84Å; H298-M302 VanDerWaalsContact O-CG 3.25Å; H298-M302 WeakPolarHBondContact O-CG 3.36Å; H298-M302 PolarHBondContact O-N 3.36Å; L299-M302 WeakPolarHBondContact O-CB 3.45Å; L299-M302 PolarHBondContact O-N 3.36Å; R300-M302 VanDerWaalsContact C-N 3.31Å; R300-M302 PolarHBondContact O-N 2.95Å; M302-G306 CarbonylContact O-C 3.55Å; M302-G306 WeakPolarHBondContact O-CA 3.49Å; M302-G306 PolarHBondContact O-N 3.49Å; M302-G306 VanDerWaalsContact O-N 3.15Å; M302-A307 HydrophobicContact CB-CB 4.38Å; M302-A307 HydrophobicContact CG-CB 4.24Å; M302-A307 PolarHBondContact O-N 2.86Å; M302-E310 HydrophobicContact SD-CG 4.07Å; M302-I313 HydrophobicContact CG-CD1 3.58Å; M302-I313 HydrophobicContact CG-CG1 3.45Å; M302-I313 VanDerWaalsContact CG-CG1 3.45Å; M302-I313 HydrophobicContact SD-CD1 4.31Å
303L92.6Very high90.5Very high1 Ų136.5 Ų36.51%0.00520%0.201CC..Hα-helixtrans-61.5-52.2172.4176.667.9000110.9L299 R300 Q301 G306 N339 S341 N344 F361 L366 L395L299-L303 PolarHBondContact O-N 3.03Å; R300-L303 WeakPolarHBondContact O-CB 3.49Å; R300-L303 PolarHBondContact O-N 3.25Å; Q301-L303 VanDerWaalsContact C-N 3.3Å; Q301-L303 PolarHBondContact O-N 3.42Å; L303-G306 PolarHBondContact O-N 3.16Å; L303-N339 WeakPolarHBondContact O-CB 3.33Å; L303-N339 PolarHBondContact O-ND2 3.31Å; L303-S341 WeakPolarHBondContact CD1-OG 3.29Å; L303-N344 WeakPolarHBondContact CD1-OD1 3.37Å; L303-N344 WeakPolarHBondContact CD2-ND2 3.26Å; L303-F361 HydrophobicContact CD2-CD1 4.13Å; L303-F361 HydrophobicContact CD2-CE1 4.4Å; L303-L366 HydrophobicContact CD2-CD1 4.27Å; L303-L395 HydrophobicContact CB-CD2 3.76Å; L303-L395 HydrophobicContact CD1-CD2 3.94Å; L303-L395 HydrophobicContact CG-CD2 4.3Å
304I91.6Very high90.1Very high1 Ų134.8 Ų34.81%0.00519%0.187CC..Hα-helixtrans-62.1-47.7-176.4-70.4167.7000111.9R300 Q301 G306 V317 P319 F338 N339 L366R300-I304 HydrophobicContact CG-CD1 3.92Å; R300-I304 VanDerWaalsContact O-CG1 3.29Å; R300-I304 WeakPolarHBondContact O-CG1 3.45Å; R300-I304 PolarHBondContact O-N 2.92Å; Q301-I304 PolarHBondContact O-N 2.95Å; I304-G306 VanDerWaalsContact C-N 3.3Å; I304-G306 PolarHBondContact O-N 3.25Å; I304-V317 HydrophobicContact CG2-CB 4.18Å; I304-V317 HydrophobicContact CG2-CG1 3.76Å; I304-V317 WeakPolarHBondContact CG2-O 3.29Å; I304-P319 HydrophobicContact CD1-CG 4.06Å; I304-P319 HydrophobicContact CG1-CG 4.37Å; I304-F338 HydrophobicContact CB-CE2 4.18Å; I304-F338 HydrophobicContact CG1-CE2 4.09Å; I304-F338 HydrophobicContact CG2-CD2 3.9Å; I304-F338 HydrophobicContact CG2-CE2 3.82Å; I304-N339 PolarHBondContact O-N 3.26Å; I304-N339 VanDerWaalsContact O-N 3.11Å; I304-L366 HydrophobicContact CD1-CD2 4.1Å; I304-L366 HydrophobicContact CG1-CD2 3.63Å
305S89.9Confident89.9Confident24 Ų2439.3 Ų39.317%0.16820%0.197CC..THydrogen-bonded Turntrans-85.7-1.4-175.981.10000113.4Q301 A307 D314Q301-S305 WeakPolarHBondContact O-CB 3.34Å; Q301-S305 PolarHBondContact O-N 3.32Å; Q301-S305 PolarHBondContact O-OG 3.17Å; S305-A307 PolarHBondContact O-N 3.47Å; S305-A307 WeakPolarHBondContact OG-CB 3.14Å; S305-A307 PolarHBondContact OG-N 2.89Å; S305-D314 PolarHBondContact OG-N 3.28Å
306G87.4Confident89.4Confident21 Ų2145.9 Ų45.922%0.21623%0.227CC..THydrogen-bonded Turntrans62.122.4-17200000113.7M302 L303 I304 L401M302-G306 CarbonylContact O-C 3.55Å; M302-G306 WeakPolarHBondContact O-CA 3.49Å; M302-G306 PolarHBondContact O-N 3.49Å; M302-G306 VanDerWaalsContact O-N 3.15Å; L303-G306 PolarHBondContact O-N 3.16Å; I304-G306 VanDerWaalsContact C-N 3.3Å; I304-G306 PolarHBondContact O-N 3.25Å; G306-L401 WeakPolarHBondContact O-CD1 3.36Å
307A89.9Confident88.9Confident8 Ų845.7 Ų45.77%0.06623%0.227CC..  trans-73.3144.517800000110.8R275 M302 S305 G312 I313R275-A307 WeakPolarHBondContact CD-O 3.34Å; R275-A307 PolarHBondContact NE-O 2.57Å; M302-A307 HydrophobicContact CB-CB 4.38Å; M302-A307 HydrophobicContact CG-CB 4.24Å; M302-A307 PolarHBondContact O-N 2.86Å; S305-A307 PolarHBondContact O-N 3.47Å; S305-A307 WeakPolarHBondContact OG-CB 3.14Å; S305-A307 PolarHBondContact OG-N 2.89Å; A307-G312 WeakPolarHBondContact CB-O 3.5Å; A307-I313 HydrophobicContact CB-CG1 4.16Å
308K87.4Confident88.5Confident64 Ų6448 Ų4828%0.27823%0.232SC..SBendtrans-97.4-13.5179.8-62.6179.3-178.2156.70113.5E205 A208E205-K308 WeakPolarHBondContact OE1-CE 3.47Å; E205-K308 IonicContact OE1-NZ 3.84Å; E205-K308 PolarHBondContact OE1-NZ 3.47Å; E205-K308 IonicContact OE2-NZ 3.98Å; E205-K308 PolarHBondContact OE2-NZ 2.52Å; A208-K308 HydrophobicContact CB-CB 4.33Å; A208-K308 HydrophobicContact CB-CD 3.36Å; A208-K308 HydrophobicContact CB-CG 4.47Å
309M87.6Confident87.8Confident16 Ų1646.3 Ų46.38%0.07923%0.226CC..SBendtrans-152.5162.8-18073-167.4-178.100109.7K211 I212 K215 E311 G312K211-M309 HydrophobicContact CB-CE 4.12Å; K211-M309 HydrophobicContact CB-SD 3.94Å; I212-M309 HydrophobicContact CG1-CB 3.92Å; I212-M309 HydrophobicContact CG1-SD 4.13Å; K215-M309 HydrophobicContact CD-CE 3.68Å; M309-E311 HydrophobicContact CE-CB 4.48Å; M309-E311 PolarHBondContact O-N 3.33Å; M309-G312 PolarHBondContact O-N 3.04Å; M309-G312 VanDerWaalsContact O-N 3.07Å
310E84.1Confident87Confident51 Ų5148.7 Ų48.724%0.23824%0.241CC..G310 helixtrans-62-41.3-171.3-66.7-179.990.500113.2I277 H298 M302 G312 I313I277-E310 HydrophobicContact CG2-CG 3.92Å; H298-E310 IonicContact CD2-OE1 2.57Å; H298-E310 IonicContact CG-OE1 2.73Å; M302-E310 HydrophobicContact SD-CG 4.07Å; E310-G312 PolarHBondContact O-N 2.92Å; E310-G312 VanDerWaalsContact O-N 3.15Å; E310-I313 HydrophobicContact CB-CD1 4.41Å; E310-I313 WeakPolarHBondContact O-CB 3.27Å; E310-I313 WeakPolarHBondContact O-CD1 3.49Å; E310-I313 WeakPolarHBondContact O-CG1 3.11Å; E310-I313 PolarHBondContact O-N 3.33Å
311E82.9Confident85.6Confident104 Ų10454.2 Ų54.249%0.48627%0.267SS..G310 helixtrans-71.1-9.6178.9-59.888161.100113.4Q216 M309Q216-E311 WeakPolarHBondContact CG-OE1 3.45Å; Q216-E311 VanDerWaalsContact CG-OE2 3.27Å; Q216-E311 WeakPolarHBondContact CG-OE2 3.1Å; Q216-E311 PolarHBondContact NE2-OE2 3.02Å; M309-E311 HydrophobicContact CE-CB 4.48Å; M309-E311 PolarHBondContact O-N 3.33Å
312G80.6Confident83.6Confident41 Ų4159 Ų5942%0.42330%0.303SS..G310 helixtrans-93.80.1176.200000113.8A307 M309 E310 D314A307-G312 WeakPolarHBondContact CB-O 3.5Å; M309-G312 PolarHBondContact O-N 3.04Å; M309-G312 VanDerWaalsContact O-N 3.07Å; E310-G312 PolarHBondContact O-N 2.92Å; E310-G312 VanDerWaalsContact O-N 3.15Å; G312-D314 PolarHBondContact O-N 2.95Å
313I86.3Confident81.6Confident20 Ų2062.4 Ų62.410%0.10334%0.339CS..  trans-67.2126.5-175.8-68170000110.8H298 Q301 M302 A307 E310 W315H298-I313 HydrophobicContact CB-CD1 4.12Å; Q301-I313 HydrophobicContact CB-CG2 3.86Å; Q301-I313 HydrophobicContact CG-CG2 3.22Å; M302-I313 HydrophobicContact CG-CD1 3.58Å; M302-I313 HydrophobicContact CG-CG1 3.45Å; M302-I313 VanDerWaalsContact CG-CG1 3.45Å; M302-I313 HydrophobicContact SD-CD1 4.31Å; A307-I313 HydrophobicContact CB-CG1 4.16Å; E310-I313 HydrophobicContact CB-CD1 4.41Å; E310-I313 WeakPolarHBondContact O-CB 3.27Å; E310-I313 WeakPolarHBondContact O-CD1 3.49Å; E310-I313 WeakPolarHBondContact O-CG1 3.11Å; E310-I313 PolarHBondContact O-N 3.33Å; I313-W315 HydrophobicContact CD1-CZ2 4.15Å; I313-W315 HydrophobicContact CG2-CD2 3.8Å; I313-W315 HydrophobicContact CG2-CE3 4.44Å; I313-W315 HydrophobicContact CG2-CG 3.99Å; I313-W315 HydrophobicContact CG2-CZ2 4Å
314D86.3Confident79Confident64 Ų6469.4 Ų69.434%0.34238%0.375SS..  trans-96.5105.8165.5-168.2-19.3000109.5Q301 S305 G312 Q316 V317Q301-D314 PolarHBondContact NE2-O 3Å; S305-D314 PolarHBondContact OG-N 3.28Å; G312-D314 PolarHBondContact O-N 2.95Å; D314-Q316 PolarHBondContact O-N 2.99Å; D314-Q316 VanDerWaalsContact OD1-CB 3.3Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.4Å; D314-Q316 PolarHBondContact OD1-N 3.44Å; D314-V317 HydrophobicContact CB-CG2 3.92Å
315W88.2Confident76.5Confident118 Ų11874 Ų7445%0.44741%0.405SS..THydrogen-bonded Turntrans-74.9-7-179.9-6696.8000113.7K297 H298 Q301 I313K297-W315 HydrophobicContact CD-CH2 4.46Å; K297-W315 HydrophobicContact CD-CZ3 4.47Å; K297-W315 HydrophobicContact CG-CH2 4.17Å; K297-W315 HydrophobicContact CG-CZ3 4.15Å; H298-W315 AromaticContact CD2-CZ2 3.74Å; H298-W315 AromaticContact NE2-CZ2 3.79Å; Q301-W315 HydrophobicContact CB-CE3 4.1Å; Q301-W315 HydrophobicContact CB-CH2 4.07Å; Q301-W315 HydrophobicContact CB-CZ3 3.71Å; Q301-W315 HydrophobicContact CG-CD2 4.05Å; Q301-W315 HydrophobicContact CG-CE3 3.61Å; Q301-W315 HydrophobicContact CG-CH2 4.39Å; Q301-W315 HydrophobicContact CG-CZ3 3.79Å; I313-W315 HydrophobicContact CD1-CZ2 4.15Å; I313-W315 HydrophobicContact CG2-CD2 3.8Å; I313-W315 HydrophobicContact CG2-CE3 4.44Å; I313-W315 HydrophobicContact CG2-CG 3.99Å; I313-W315 HydrophobicContact CG2-CZ2 4Å
316Q85.4Confident74.2Confident145 Ų14579.3 Ų79.368%0.67844%0.439SS*.THydrogen-bonded Turntrans-84.4-23.8177.2-57.3-175.2-1.300112.2D314 R318 L336D314-Q316 PolarHBondContact O-N 2.99Å; D314-Q316 VanDerWaalsContact OD1-CB 3.3Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.4Å; D314-Q316 PolarHBondContact OD1-N 3.44Å; Q316-R318 PolarHBondContact O-N 2.95Å; Q316-L336 HydrophobicContact CB-CD1 4.47Å; Q316-L336 HydrophobicContact CB-CD2 4.16Å
317V84Confident71.9Confident6 Ų685.9 Ų85.94%0.03647%0.468CS..  trans-69.6130.2177.2-1740000109.7Q301 I304 D314 L336 F338Q301-V317 PolarHBondContact NE2-O 3.04Å; I304-V317 HydrophobicContact CG2-CB 4.18Å; I304-V317 HydrophobicContact CG2-CG1 3.76Å; I304-V317 WeakPolarHBondContact CG2-O 3.29Å; D314-V317 HydrophobicContact CB-CG2 3.92Å; V317-L336 HydrophobicContact CG2-CB 4.4Å; V317-L336 HydrophobicContact CG2-CD2 3.66Å; V317-F338 HydrophobicContact CG1-CB 4.44Å; V317-F338 HydrophobicContact CG1-CD2 4.33Å
318R84.7Confident69.5Low179 Ų17988.5 Ų88.568%0.67550%0.496SS*.  trans-131.2153178.5-64.4-173.9-178.8-173.70.9110.4Q316Q316-R318 PolarHBondContact O-N 2.95Å
319P80.3Confident67.4Low24 Ų2495.1 Ų95.116%0.15653%0.525CS..PPolyproline II helixtrans-58.7149.7169.9-19.932.3000111.3I304 F321 F338 A365 L366I304-P319 HydrophobicContact CD1-CG 4.06Å; I304-P319 HydrophobicContact CG1-CG 4.37Å; P319-F321 PolarHBondContact O-N 3.49Å; P319-F338 HydrophobicContact CB-CE2 3.96Å; P319-F338 HydrophobicContact CB-CZ 4.28Å; P319-F338 HydrophobicContact CG-CE2 4.02Å; P319-A365 HydrophobicContact CB-CB 3.81Å; P319-L366 HydrophobicContact CB-CD2 4.34Å; P319-L366 HydrophobicContact CG-CD2 3.77Å
320P76.6Confident64.8Low49 Ų49103 Ų10332%0.31856%0.564SS.*PPolyproline II helixtrans-60.2135.6174.322.6-29000110.4S322 F338 P455P320-S322 PolarHBondContact O-N 3.01Å; P320-F338 HydrophobicContact CG-CD1 4.49Å; P320-P455 HydrophobicContact CB-CG 4.29Å; P320-P455 HydrophobicContact CG-CB 3.91Å; P320-P455 HydrophobicContact CG-CG 3.83Å
321F64.6Low62.3Low182 Ų182105.4 Ų105.480%0.79859%0.586SS**PPolyproline II helixtrans-68.2124.6-179.4-80.1-85.2000110.9P319 G323P319-F321 PolarHBondContact O-N 3.49Å; F321-G323 PolarHBondContact O-N 3.48Å
322S52.6Low60.3Low120 Ų120107.4 Ų107.484%0.83961%0.605SS**SBendtrans-72.3107168.848.50000110.3P320P320-S322 PolarHBondContact O-N 3.01Å
323G49.8Very low58.1Low73 Ų73113.1 Ų113.175%0.75362%0.62SS**SBendtrans120.214.9154.600000121.4F321F321-G323 PolarHBondContact O-N 3.48Å
324L37.9Very low55.8Low148 Ų148121.4 Ų121.478%0.77566%0.655SS**  trans-138.1140168.5-87.6157.7000111.3
325P39.2Very low53.9Low98 Ų98126.2 Ų126.264%0.63668%0.681SS**  trans-64.5153.717424.2-24.5000109.8L327P325-L327 PolarHBondContact O-N 3Å
326P43.3Very low52.6Low134 Ų134124.4 Ų124.487%0.8768%0.68SS**  trans-64.799.3-173.325.4-31.9000110G328P326-G328 PolarHBondContact O-N 3.5Å
327L37.9Very low52.1Low160 Ų160122.1 Ų122.184%0.83867%0.669SS**  trans-71.1101169.2-100143.2000108.4P325P325-L327 PolarHBondContact O-N 3Å
328G39.9Very low52.1Low63 Ų63122.9 Ų122.965%0.64967%0.672SS**SBendtrans27.4111.4149.400000119.2P326P326-G328 PolarHBondContact O-N 3.5Å
329K42.9Very low52.3Low202 Ų202114.7 Ų114.788%0.87864%0.642SS**  trans56.4101.6150.4-66.8-177.9177.4178.40117.1
330M32.8Very low52.9Low183 Ų183113.9 Ų113.990%0.90164%0.636SS**  trans-152.2122137-74.7-156.873.900113.5
331S32.2Very low53.6Low101 Ų101111.5 Ų111.571%0.70662%0.621SS**  trans78.1122.6158.495.60000120.6H333S331-H333 VanDerWaalsContact C-N 3.29Å; S331-H333 PolarHBondContact O-N 3.42Å
332V39.9Very low55.1Low145 Ų145102.9 Ų102.988%0.87958%0.583SS**  trans-88.744.8176.7-178.50000110.5
333H35.1Very low57.1Low161 Ų16197.2 Ų97.275%0.74554%0.543SS*.SBendtrans-132.8103.5-176.3-76.9-61.3000112.5S331S331-H333 VanDerWaalsContact C-N 3.29Å; S331-H333 PolarHBondContact O-N 3.42Å
334K38.3Very low59.3Low194 Ų19493.7 Ų93.784%0.84351%0.508SS*.  trans57.4117.7175.9-76.5178.2174.4176.80114.1L336K334-L336 VanDerWaalsContact C-N 3.3Å; K334-L336 PolarHBondContact O-N 3Å
335D46.5Very low62Low165 Ų16586.7 Ų86.788%0.88247%0.471SS*.  trans-57.797.3162.5-61.8-43.1000108.4H337D335-H337 PolarHBondContact O-N 2.91Å
336L59.8Low64.7Low81 Ų8182 Ų8242%0.42444%0.44SS..  trans-67.384.9172.1-78.3157.8000106.3Q316 V317 K334 F338Q316-L336 HydrophobicContact CB-CD1 4.47Å; Q316-L336 HydrophobicContact CB-CD2 4.16Å; V317-L336 HydrophobicContact CG2-CB 4.4Å; V317-L336 HydrophobicContact CG2-CD2 3.66Å; K334-L336 VanDerWaalsContact C-N 3.3Å; K334-L336 PolarHBondContact O-N 3Å; L336-F338 PolarHBondContact O-N 3.3Å; L336-F338 VanDerWaalsContact O-N 3.1Å
337H74.9Confident67.2Low97 Ų9775.7 Ų75.745%0.44940%0.399SS..  trans-73.9107.1-174.9-170.340.3000109.3D335D335-H337 PolarHBondContact O-N 2.91Å
338F85.5Confident69.9Low21 Ų2168 Ų689%0.09236%0.359CS..  trans-64.7135.6169.4177.1-102.4000110.2I304 V317 P319 P320 L336 T340 A365 L366I304-F338 HydrophobicContact CB-CE2 4.18Å; I304-F338 HydrophobicContact CG1-CE2 4.09Å; I304-F338 HydrophobicContact CG2-CD2 3.9Å; I304-F338 HydrophobicContact CG2-CE2 3.82Å; V317-F338 HydrophobicContact CG1-CB 4.44Å; V317-F338 HydrophobicContact CG1-CD2 4.33Å; P319-F338 HydrophobicContact CB-CE2 3.96Å; P319-F338 HydrophobicContact CB-CZ 4.28Å; P319-F338 HydrophobicContact CG-CE2 4.02Å; P320-F338 HydrophobicContact CG-CD1 4.49Å; L336-F338 PolarHBondContact O-N 3.3Å; L336-F338 VanDerWaalsContact O-N 3.1Å; F338-T340 PolarHBondContact O-N 2.95Å; F338-A365 WeakPolarHBondContact CE1-O 3.4Å; F338-L366 HydrophobicContact CE2-CD2 4.07Å; F338-L366 HydrophobicContact CZ-CD2 3.85Å
339N89.1Confident72.4Confident8 Ų865 Ų654%0.04333%0.328CS..  trans-89.7100.4176.4175.556.9000110.3L303 I304 S399 Q400 L401L303-N339 WeakPolarHBondContact O-CB 3.33Å; L303-N339 PolarHBondContact O-ND2 3.31Å; I304-N339 PolarHBondContact O-N 3.26Å; I304-N339 VanDerWaalsContact O-N 3.11Å; N339-S399 PolarHBondContact ND2-OG 3.35Å; N339-Q400 PolarHBondContact OD1-N 3.43Å; N339-L401 PolarHBondContact OD1-N 2.7Å
340T91.5Very high74.7Confident6 Ų655.4 Ų55.44%0.03729%0.286CS..  trans-73131.6175.2-49.90000110.5F338 S399 Q400 L453F338-T340 PolarHBondContact O-N 2.95Å; T340-S399 WeakPolarHBondContact O-CA 3.45Å; T340-S399 WeakPolarHBondContact O-CB 3.28Å; T340-Q400 PolarHBondContact O-N 2.93Å; T340-Q400 VanDerWaalsContact O-N 3.08Å; T340-Q400 PolarHBondContact OG1-OE1 3.44Å; T340-L453 WeakPolarHBondContact CB-O 3.31Å; T340-L453 HydrophobicContact CG2-CB 4.36Å; T340-L453 PolarHBondContact OG1-O 2.99Å
341S92.9Very high77.4Confident0 Ų050.1 Ų50.10%026%0.258CS..EExtended strand (participates in β ladder)trans-98.1151.5173.4-79.90000112L303 N344 L366 Y367 T368 S399L303-S341 WeakPolarHBondContact CD1-OG 3.29Å; S341-N344 VanDerWaalsContact CB-ND2 3.32Å; S341-N344 WeakPolarHBondContact CB-ND2 3.47Å; S341-N344 WeakPolarHBondContact CB-OD1 3.29Å; S341-N344 PolarHBondContact OG-ND2 2.63Å; S341-N344 PolarHBondContact OG-OD1 3.36Å; S341-L366 PolarHBondContact N-O 2.95Å; S341-Y367 CarbonylContact O-C 3.55Å; S341-Y367 WeakPolarHBondContact O-CA 3.42Å; S341-T368 PolarHBondContact O-N 2.84Å; S341-S399 WeakPolarHBondContact OG-CB 3.48Å
342I94.2Very high80.1Confident0 Ų049.7 Ų49.70%025%0.248CC..EExtended strand (participates in β ladder)trans-89.1-54.2163.4-62.7169.5000108.3P265 F269 T368 W370 L371 A376 N398 Y450 L453P265-I342 HydrophobicContact CG-CG2 3.4Å; P265-I342 VanDerWaalsContact CG-CG2 3.4Å; F269-I342 HydrophobicContact CB-CD1 3.4Å; F269-I342 HydrophobicContact CD1-CD1 3.43Å; F269-I342 VanDerWaalsContact CD1-CD1 3.43Å; F269-I342 HydrophobicContact CD2-CD1 3.61Å; F269-I342 HydrophobicContact CE1-CD1 4.05Å; F269-I342 HydrophobicContact CE2-CD1 4.23Å; F269-I342 HydrophobicContact CG-CD1 3.19Å; F269-I342 HydrophobicContact CZ-CD1 4.43Å; I342-T368 HydrophobicContact CG1-CG2 4.44Å; I342-W370 HydrophobicContact CD1-CZ2 4.4Å; I342-W370 HydrophobicContact CG1-CZ2 4.25Å; I342-W370 HydrophobicContact CG2-CH2 3.69Å; I342-W370 HydrophobicContact CG2-CZ2 3.72Å; I342-L371 HydrophobicContact CG2-CD2 4.41Å; I342-L371 WeakPolarHBondContact O-CD2 3.23Å; I342-A376 WeakPolarHBondContact O-CB 3.45Å; I342-N398 HydrophobicContact CB-CB 4.43Å; I342-N398 PolarHBondContact N-O 3.43Å; I342-Y450 HydrophobicContact CD1-CE1 4.16Å; I342-L453 HydrophobicContact CD1-CD1 3.7Å; I342-L453 HydrophobicContact CD1-CD2 3.91Å; I342-L453 HydrophobicContact CD1-CG 4.45Å; I342-L453 HydrophobicContact CG1-CD1 3.69Å; I342-L453 HydrophobicContact CG1-CD2 3.72Å; I342-L453 HydrophobicContact CG1-CG 4.35Å
343A95.1Very high82.4Confident1 Ų143 Ų431%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-145.7143.1-17800000111H262 A376 N398H262-A343 VanDerWaalsContact O-CB 3.32Å; H262-A343 WeakPolarHBondContact O-CB 3.37Å; A343-A376 CarbonylContact C-O 3.46Å; A343-A376 WeakPolarHBondContact CA-O 3.29Å; A343-N398 PolarHBondContact N-O 3.24Å; A343-N398 PolarHBondContact O-N 2.94Å
344N95.9Very high84.9Confident0 Ų041.7 Ų41.70%020%0.202CC..EExtended strand (participates in β ladder)trans-133135.7-178.8-66-41.8000110.5L303 S341 Y367 A376 F377 S378 L395 S397L303-N344 WeakPolarHBondContact CD1-OD1 3.37Å; L303-N344 WeakPolarHBondContact CD2-ND2 3.26Å; S341-N344 VanDerWaalsContact CB-ND2 3.32Å; S341-N344 WeakPolarHBondContact CB-ND2 3.47Å; S341-N344 WeakPolarHBondContact CB-OD1 3.29Å; S341-N344 PolarHBondContact OG-ND2 2.63Å; S341-N344 PolarHBondContact OG-OD1 3.36Å; N344-Y367 HydrophobicContact CB-CE1 4.03Å; N344-Y367 WeakPolarHBondContact ND2-CE1 3.48Å; N344-Y367 PolarHBondContact ND2-OH 3.33Å; N344-Y367 VanDerWaalsContact ND2-OH 3.16Å; N344-A376 PolarHBondContact N-O 3.43Å; N344-F377 HydrophobicContact CB-CD2 4.37Å; N344-F377 WeakPolarHBondContact O-CA 3.48Å; N344-S378 PolarHBondContact O-N 3.02Å; N344-L395 HydrophobicContact CB-CD1 4.09Å; N344-S397 WeakPolarHBondContact OD1-CB 3.47Å
345L95.4Very high87.3Confident0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-121.7120.8174.3172.967.5000109.8L259 L263 I347 S378 W380 L395 V396L259-L345 HydrophobicContact CD2-CD2 3.59Å; L263-L345 HydrophobicContact CD1-CB 4.29Å; L263-L345 HydrophobicContact CD1-CD2 4.13Å; L263-L345 HydrophobicContact CD2-CB 3.67Å; L263-L345 HydrophobicContact CG-CB 4.1Å; L345-I347 HydrophobicContact CD2-CD1 4.17Å; L345-I347 HydrophobicContact CD2-CG1 4.21Å; L345-I347 HydrophobicContact CG-CG1 4.07Å; L345-S378 WeakPolarHBondContact CA-O 3.47Å; L345-W380 HydrophobicContact CD1-CD2 3.52Å; L345-W380 VanDerWaalsContact CD1-CE2 3.47Å; L345-W380 HydrophobicContact CD1-CE3 4.04Å; L345-W380 HydrophobicContact CD1-CG 3.81Å; L345-W380 HydrophobicContact CD1-CH2 4.49Å; L345-W380 HydrophobicContact CD1-CZ2 3.96Å; L345-W380 HydrophobicContact CD2-CD2 3.86Å; L345-W380 HydrophobicContact CD2-CE3 3.51Å; L345-W380 HydrophobicContact CD2-CH2 3.34Å; L345-W380 HydrophobicContact CD2-CZ2 3.63Å; L345-W380 HydrophobicContact CD2-CZ3 3.29Å; L345-W380 HydrophobicContact CG-CD2 4.16Å; L345-W380 HydrophobicContact CG-CE3 4.15Å; L345-W380 HydrophobicContact CG-CZ2 4.43Å; L345-W380 HydrophobicContact CG-CZ3 4.38Å; L345-L395 WeakPolarHBondContact O-CA 3.2Å; L345-V396 HydrophobicContact CB-CB 4.48Å; L345-V396 PolarHBondContact N-O 2.97Å; L345-V396 PolarHBondContact O-N 2.72Å
346V95.6Very high89.5Confident0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-103125.9175.3172.30000109.9L299 L348 F361 F377 S378 M379 W380 A394 L395L299-V346 HydrophobicContact CD2-CG1 4.48Å; V346-L348 HydrophobicContact CG1-CD2 3.46Å; V346-L348 VanDerWaalsContact CG1-CD2 3.46Å; V346-L348 HydrophobicContact CG1-CG 3.89Å; V346-F361 HydrophobicContact CG2-CD1 4.04Å; V346-F361 HydrophobicContact CG2-CE1 4.06Å; V346-F361 HydrophobicContact CG2-CG 4.3Å; V346-F361 HydrophobicContact CG2-CZ 4.33Å; V346-F377 HydrophobicContact CB-CE2 4.1Å; V346-F377 HydrophobicContact CB-CZ 4.27Å; V346-F377 HydrophobicContact CG2-CE2 3.73Å; V346-F377 HydrophobicContact CG2-CZ 4.29Å; V346-S378 PolarHBondContact N-O 2.84Å; V346-M379 CarbonylContact O-C 3.47Å; V346-M379 VanDerWaalsContact O-CA 3.31Å; V346-M379 WeakPolarHBondContact O-CA 3.15Å; V346-W380 PolarHBondContact O-N 3.22Å; V346-A394 WeakPolarHBondContact CA-O 3.45Å; V346-L395 HydrophobicContact CG2-CD1 3.81Å
347I95.1Very high91Very high1 Ų130.7 Ų30.71%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-114.2115.4-179-52.2176.9000108.4V238 T242 L345 R349 W380 A393 A394 V396V238-I347 HydrophobicContact CB-CD1 4.37Å; V238-I347 HydrophobicContact CG1-CD1 4.28Å; V238-I347 HydrophobicContact CG2-CD1 4.37Å; T242-I347 HydrophobicContact CG2-CG2 3.82Å; L345-I347 HydrophobicContact CD2-CD1 4.17Å; L345-I347 HydrophobicContact CD2-CG1 4.21Å; L345-I347 HydrophobicContact CG-CG1 4.07Å; I347-R349 HydrophobicContact CG2-CG 4.42Å; I347-W380 CarbonylContact C-O 3.57Å; I347-W380 WeakPolarHBondContact CA-O 3.42Å; I347-W380 HydrophobicContact CD1-CE3 3.66Å; I347-W380 HydrophobicContact CD1-CZ3 4.03Å; I347-W380 HydrophobicContact CG1-CB 4.39Å; I347-W380 HydrophobicContact CG1-CD2 4.46Å; I347-W380 HydrophobicContact CG1-CE3 3.76Å; I347-W380 HydrophobicContact CG2-CB 4.4Å; I347-A393 CarbonylContact O-C 3.6Å; I347-A393 VanDerWaalsContact O-CA 3.29Å; I347-A393 WeakPolarHBondContact O-CA 3.41Å; I347-A394 HydrophobicContact CB-CB 4.32Å; I347-A394 PolarHBondContact N-O 3.45Å; I347-A394 PolarHBondContact O-N 3.29Å; I347-V396 HydrophobicContact CD1-CG2 4.41Å
348L94.8Very high91.8Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-110.7132.5-176.9-52.8-177.9000111W292 L296 V346 V353 A356 V358 M379 W380 K381 T382 A393W292-L348 HydrophobicContact CH2-CB 4.08Å; W292-L348 HydrophobicContact CZ3-CB 4.22Å; W292-L348 HydrophobicContact CZ3-CD2 3.93Å; L296-L348 HydrophobicContact CD2-CD2 3.76Å; V346-L348 HydrophobicContact CG1-CD2 3.46Å; V346-L348 VanDerWaalsContact CG1-CD2 3.46Å; V346-L348 HydrophobicContact CG1-CG 3.89Å; L348-V353 HydrophobicContact CB-CG2 3.42Å; L348-V353 VanDerWaalsContact CB-CG2 3.42Å; L348-V353 HydrophobicContact CD1-CG2 4.32Å; L348-A356 HydrophobicContact CD1-CB 3.51Å; L348-V358 HydrophobicContact CD1-CG1 3.96Å; L348-M379 HydrophobicContact CD1-CG 4.47Å; L348-M379 HydrophobicContact CD1-SD 3.9Å; L348-W380 PolarHBondContact N-O 3.3Å; L348-K381 CarbonylContact O-C 3.52Å; L348-K381 VanDerWaalsContact O-CA 3.29Å; L348-K381 WeakPolarHBondContact O-CA 3.47Å; L348-T382 PolarHBondContact O-N 3.46Å; L348-A393 HydrophobicContact CD2-CB 3.64Å
349R92.6Very high92Very high0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-134.2134.7-178.1-48.1-172.5169.7-94.8-4.7111.6N237 Q240 P241 W292 I347 T382 F386 K391 S392N237-R349 VanDerWaalsContact O-CZ 3.25Å; N237-R349 PolarHBondContact O-NE 2.84Å; N237-R349 PolarHBondContact O-NH2 3.29Å; Q240-R349 PolarHBondContact O-NH2 3.43Å; P241-R349 PolarHBondContact O-NH1 3.18Å; W292-R349 WeakPolarHBondContact CH2-O 3.29Å; I347-R349 HydrophobicContact CG2-CG 4.42Å; R349-T382 WeakPolarHBondContact CA-O 3.29Å; R349-T382 HydrophobicContact CB-CG2 3.88Å; R349-T382 HydrophobicContact CG-CG2 3.71Å; R349-F386 HydrophobicContact CB-CB 4.38Å; R349-K391 WeakPolarHBondContact O-CA 3.32Å; R349-S392 PolarHBondContact N-O 3.35Å; R349-S392 PolarHBondContact O-N 3.43Å
350G91.3Very high92Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans112.4-156168.900000114.7T382 P383 R384 E390G350-T382 PolarHBondContact N-O 2.88Å; G350-P383 CarbonylContact C-O 3.38Å; G350-P383 WeakPolarHBondContact CA-O 3.14Å; G350-P383 WeakPolarHBondContact O-CA 3.33Å; G350-R384 PolarHBondContact N-O 3.35Å; G350-E390 CarbonylContact C-O 3.04Å; G350-E390 VanDerWaalsContact CA-O 3.28Å; G350-E390 WeakPolarHBondContact CA-O 3.24Å
351K89.3Confident91.9Very high71 Ų7131.7 Ų31.731%0.30918%0.175SC..THydrogen-bonded Turntrans-65141.2-166.7177.3177.6-178.9-177.60112.9L33 W292 V353 E390 K391L33-K351 HydrophobicContact CD1-CB 4.44Å; L33-K351 HydrophobicContact CD1-CD 3.57Å; L33-K351 HydrophobicContact CD1-CG 3.72Å; W292-K351 PolarHBondContact NE1-O 2.94Å; K351-V353 PolarHBondContact O-N 2.81Å; K351-V353 VanDerWaalsContact O-N 3.14Å; K351-E390 HydrophobicContact CB-CG 3.93Å; K351-E390 HydrophobicContact CD-CG 4.26Å; K351-E390 WeakPolarHBondContact CD-OE1 3.19Å; K351-E390 PolarHBondContact N-O 2.85Å; K351-E390 IonicContact NZ-OE1 2.69Å; K351-E390 PolarHBondContact NZ-OE1 3.3Å; K351-K391 WeakPolarHBondContact O-CE 3.35Å
352D88.8Confident91.8Very high93 Ų9335.4 Ų35.450%0.49719%0.191SC..THydrogen-bonded Turntrans55.427.3175.5-53.5-33.8000113.7W292 Q354 S355W292-D352 PolarHBondContact NE1-O 2.77Å; D352-Q354 PolarHBondContact O-N 3.49Å; D352-S355 WeakPolarHBondContact O-CB 3.47Å; D352-S355 PolarHBondContact O-N 2.91Å; D352-S355 PolarHBondContact O-OG 3.38Å
353V89.3Confident91.6Very high5 Ų537.7 Ų37.73%0.0320%0.203CC..G310 helixtrans-57.5-25.1-176.2730000113.4W292 L348 K351 S355 A356 K381W292-V353 HydrophobicContact CH2-CG2 4.34Å; W292-V353 HydrophobicContact CZ2-CB 4.05Å; W292-V353 HydrophobicContact CZ2-CG2 4.02Å; L348-V353 HydrophobicContact CB-CG2 3.42Å; L348-V353 VanDerWaalsContact CB-CG2 3.42Å; L348-V353 HydrophobicContact CD1-CG2 4.32Å; K351-V353 PolarHBondContact O-N 2.81Å; K351-V353 VanDerWaalsContact O-N 3.14Å; V353-S355 PolarHBondContact O-N 3.15Å; V353-A356 VanDerWaalsContact O-CB 3.23Å; V353-A356 WeakPolarHBondContact O-CB 3.19Å; V353-A356 PolarHBondContact O-N 3.49Å; V353-K381 HydrophobicContact CG1-CB 4.35Å; V353-K381 HydrophobicContact CG2-CB 3.78Å
354Q87.1Confident91.3Very high132 Ų13241.3 Ų41.362%0.61723%0.226SC*.G310 helixtrans-68-21.1176.5-55.5-58.9-19.400112.9D352 A356D352-Q354 PolarHBondContact O-N 3.49Å; Q354-A356 VanDerWaalsContact C-N 3.33Å
355S89Confident91Very high82 Ų8242 Ų4257%0.57323%0.233SC*.G310 helixtrans-86.5-2.8176.872.10000113.7D352 V353 D357D352-S355 WeakPolarHBondContact O-CB 3.47Å; D352-S355 PolarHBondContact O-N 2.91Å; D352-S355 PolarHBondContact O-OG 3.38Å; V353-S355 PolarHBondContact O-N 3.15Å; S355-D357 PolarHBondContact O-N 3.19Å
356A91.4Very high90.7Very high14 Ų1442.1 Ų42.112%0.11623%0.233CC..  trans-72.8116.6-176.200000110.7W292 L296 L348 V353 Q354W292-A356 HydrophobicContact CB-CB 4.17Å; W292-A356 HydrophobicContact CD2-CB 3.92Å; W292-A356 HydrophobicContact CE3-CB 4.29Å; W292-A356 HydrophobicContact CG-CB 3.87Å; L296-A356 HydrophobicContact CD1-CB 4.1Å; L348-A356 HydrophobicContact CD1-CB 3.51Å; V353-A356 VanDerWaalsContact O-CB 3.23Å; V353-A356 WeakPolarHBondContact O-CB 3.19Å; V353-A356 PolarHBondContact O-N 3.49Å; Q354-A356 VanDerWaalsContact C-N 3.33Å
357D92Very high90.5Very high113 Ų11342.3 Ų42.360%0.60423%0.234SC*.  trans-88109.8178.2177.114.9000111.1L296 S355 E359L296-D357 WeakPolarHBondContact CD1-O 3.27Å; S355-D357 PolarHBondContact O-N 3.19Å; D357-E359 WeakPolarHBondContact OD1-CB 3.49Å; D357-E359 WeakPolarHBondContact OD1-CG 3.27Å; D357-E359 PolarHBondContact OD1-N 3.38Å
358V91.4Very high90.2Very high7 Ų742.5 Ų42.54%0.04224%0.235CC..  trans-104.37.2179.8-63.10000113.5L296 L348 G360 F361 F377 M379L296-V358 HydrophobicContact CD1-CG1 4.23Å; L296-V358 HydrophobicContact CD2-CG1 4.47Å; L348-V358 HydrophobicContact CD1-CG1 3.96Å; V358-G360 PolarHBondContact O-N 3.25Å; V358-G360 VanDerWaalsContact O-N 3.11Å; V358-F361 HydrophobicContact CB-CD2 4.27Å; V358-F361 WeakPolarHBondContact O-CB 3.44Å; V358-F361 PolarHBondContact O-N 3.17Å; V358-F377 HydrophobicContact CB-CE1 4.3Å; V358-F377 HydrophobicContact CB-CZ 3.99Å; V358-F377 HydrophobicContact CG2-CE1 3.98Å; V358-F377 HydrophobicContact CG2-CZ 4.13Å; V358-M379 HydrophobicContact CB-SD 4.28Å; V358-M379 HydrophobicContact CG1-CG 4.48Å; V358-M379 HydrophobicContact CG1-SD 3.66Å; V358-M379 HydrophobicContact CG2-CE 4.31Å; V358-M379 HydrophobicContact CG2-SD 3.66Å
359E90Very high89.7Confident110 Ų11046.7 Ų46.751%0.51426%0.264SS..G310 helixtrans-57.7-32.3-176.2-71.5-59.7128.800112.5D357 F361 K362D357-E359 WeakPolarHBondContact OD1-CB 3.49Å; D357-E359 WeakPolarHBondContact OD1-CG 3.27Å; D357-E359 PolarHBondContact OD1-N 3.38Å; E359-F361 PolarHBondContact O-N 2.87Å; E359-F361 VanDerWaalsContact O-N 3.09Å; E359-K362 WeakPolarHBondContact O-CB 3.49Å; E359-K362 PolarHBondContact O-N 3.22Å; E359-K362 IonicContact OE1-NZ 2.77Å; E359-K362 PolarHBondContact OE1-NZ 3.24Å
360G88.3Confident89.4Confident33 Ų3352.5 Ų52.534%0.3429%0.286SS..G310 helixtrans-60.3-20.5175.400000114.9R300 V358R300-G360 WeakPolarHBondContact CD-O 3.39Å; R300-G360 PolarHBondContact NE-O 3.04Å; V358-G360 PolarHBondContact O-N 3.25Å; V358-G360 VanDerWaalsContact O-N 3.11Å
361F91.3Very high89.1Confident3 Ų353.8 Ų53.81%0.01329%0.293CS..G310 helixtrans-87.5-12.8175.7-66.9-90.8000113.3L296 L299 R300 L303 V346 V358 E359 D363 Y367 F377L296-F361 HydrophobicContact CB-CE2 4.23Å; L296-F361 HydrophobicContact CD2-CE2 4.14Å; L299-F361 HydrophobicContact CB-CZ 4.09Å; L299-F361 HydrophobicContact CD2-CZ 4.35Å; L299-F361 HydrophobicContact CG-CZ 4.24Å; R300-F361 HydrophobicContact CB-CE1 3.84Å; R300-F361 HydrophobicContact CB-CE2 4.19Å; R300-F361 HydrophobicContact CB-CZ 3.65Å; R300-F361 HydrophobicContact CG-CE1 4.36Å; L303-F361 HydrophobicContact CD2-CD1 4.13Å; L303-F361 HydrophobicContact CD2-CE1 4.4Å; V346-F361 HydrophobicContact CG2-CD1 4.04Å; V346-F361 HydrophobicContact CG2-CE1 4.06Å; V346-F361 HydrophobicContact CG2-CG 4.3Å; V346-F361 HydrophobicContact CG2-CZ 4.33Å; V358-F361 HydrophobicContact CB-CD2 4.27Å; V358-F361 WeakPolarHBondContact O-CB 3.44Å; V358-F361 PolarHBondContact O-N 3.17Å; E359-F361 PolarHBondContact O-N 2.87Å; E359-F361 VanDerWaalsContact O-N 3.09Å; F361-D363 VanDerWaalsContact C-N 3.26Å; F361-Y367 WeakPolarHBondContact O-CE2 3.23Å; F361-Y367 PolarHBondContact O-OH 3.04Å; F361-F377 HydrophobicContact CB-CD2 3.67Å; F361-F377 HydrophobicContact CB-CE1 4.39Å; F361-F377 HydrophobicContact CB-CE2 3.29Å; F361-F377 HydrophobicContact CB-CG 4.36Å; F361-F377 HydrophobicContact CB-CZ 3.69Å; F361-F377 HydrophobicContact CD1-CE2 4.43Å; F361-F377 AromaticContact CG-CE2 3.94Å; F361-F377 HydrophobicContact CG-CE2 3.94Å; F361-F377 HydrophobicContact CG-CZ 4.36Å
362K90.9Very high88.9Confident79 Ų7956.6 Ų56.634%0.34331%0.307SS..  trans-84.4-0.7176.6-63.9178.8-178.5170.40113.1E359 P364 F377E359-K362 WeakPolarHBondContact O-CB 3.49Å; E359-K362 PolarHBondContact O-N 3.22Å; E359-K362 IonicContact OE1-NZ 2.77Å; E359-K362 PolarHBondContact OE1-NZ 3.24Å; K362-P364 VanDerWaalsContact O-CD 3.24Å; K362-P364 WeakPolarHBondContact O-CD 3.5Å; K362-F377 HydrophobicContact CD-CD1 4.46Å; K362-F377 HydrophobicContact CG-CD1 3.59Å; K362-F377 HydrophobicContact CG-CE1 4.07Å; K362-F377 HydrophobicContact CG-CG 4.29Å
363D90Very high88.4Confident47 Ų4754.5 Ų54.525%0.25130%0.299SS..  trans-57114.2177.5-180-0.7000110.8R300 F361 A365 L366 Y367R300-D363 IonicContact NH2-OD2 3.07Å; R300-D363 PolarHBondContact NH2-OD2 3.46Å; F361-D363 VanDerWaalsContact C-N 3.26Å; D363-A365 PolarHBondContact O-N 3.4Å; D363-A365 VanDerWaalsContact O-N 3.13Å; D363-A365 WeakPolarHBondContact OD1-CB 3.23Å; D363-A365 PolarHBondContact OD1-N 3.26Å; D363-A365 VanDerWaalsContact OD1-N 3.09Å; D363-L366 HydrophobicContact CB-CD1 4.02Å; D363-L366 HydrophobicContact CB-CG 4.01Å; D363-L366 WeakPolarHBondContact O-CB 3.29Å; D363-L366 WeakPolarHBondContact O-CG 3.41Å; D363-L366 PolarHBondContact O-N 3.43Å; D363-Y367 WeakPolarHBondContact O-CD2 3.4Å; D363-Y367 WeakPolarHBondContact O-CE2 3.4Å
364P88.3Confident88.1Confident77 Ų7759.4 Ų59.450%0.533%0.329SS..G310 helixtrans-57.5-28.1-178.3-27.336.7000113.7K362 L366 Y367 P373K362-P364 VanDerWaalsContact O-CD 3.24Å; K362-P364 WeakPolarHBondContact O-CD 3.5Å; P364-L366 PolarHBondContact O-N 3.01Å; P364-L366 VanDerWaalsContact O-N 3.11Å; P364-Y367 PolarHBondContact O-N 2.88Å; P364-P373 HydrophobicContact CB-CB 4.3Å; P364-P373 HydrophobicContact CB-CG 3.65Å; P364-P373 HydrophobicContact CG-CB 4.12Å; P364-P373 HydrophobicContact CG-CG 3.78Å
365A88.6Confident88.1Confident16 Ų1659 Ų5913%0.13233%0.327CS..G310 helixtrans-66.9-11178.900000113.2P319 F338 D363 Y367P319-A365 HydrophobicContact CB-CB 3.81Å; F338-A365 WeakPolarHBondContact CE1-O 3.4Å; D363-A365 PolarHBondContact O-N 3.4Å; D363-A365 VanDerWaalsContact O-N 3.13Å; D363-A365 WeakPolarHBondContact OD1-CB 3.23Å; D363-A365 PolarHBondContact OD1-N 3.26Å; D363-A365 VanDerWaalsContact OD1-N 3.09Å; A365-Y367 VanDerWaalsContact C-N 3.31Å
366L89.4Confident88.1Confident1 Ų155.1 Ų55.11%0.00530%0.299CS..G310 helixtrans-78.8-17.9173.5-59.8177.4000113.6L303 I304 P319 F338 S341 D363 P364L303-L366 HydrophobicContact CD2-CD1 4.27Å; I304-L366 HydrophobicContact CD1-CD2 4.1Å; I304-L366 HydrophobicContact CG1-CD2 3.63Å; P319-L366 HydrophobicContact CB-CD2 4.34Å; P319-L366 HydrophobicContact CG-CD2 3.77Å; F338-L366 HydrophobicContact CE2-CD2 4.07Å; F338-L366 HydrophobicContact CZ-CD2 3.85Å; S341-L366 PolarHBondContact N-O 2.95Å; D363-L366 HydrophobicContact CB-CD1 4.02Å; D363-L366 HydrophobicContact CB-CG 4.01Å; D363-L366 WeakPolarHBondContact O-CB 3.29Å; D363-L366 WeakPolarHBondContact O-CG 3.41Å; D363-L366 PolarHBondContact O-N 3.43Å; P364-L366 PolarHBondContact O-N 3.01Å; P364-L366 VanDerWaalsContact O-N 3.11Å
367Y91.7Very high88.3Confident4 Ų455.1 Ų55.12%0.01630%0.297CS..BIsolated β-bridgetrans-115.5161.7-167.2-57.5-77.3000112S341 N344 F361 D363 P364 A365 A376 F377S341-Y367 CarbonylContact O-C 3.55Å; S341-Y367 WeakPolarHBondContact O-CA 3.42Å; N344-Y367 HydrophobicContact CB-CE1 4.03Å; N344-Y367 WeakPolarHBondContact ND2-CE1 3.48Å; N344-Y367 PolarHBondContact ND2-OH 3.33Å; N344-Y367 VanDerWaalsContact ND2-OH 3.16Å; F361-Y367 WeakPolarHBondContact O-CE2 3.23Å; F361-Y367 PolarHBondContact O-OH 3.04Å; D363-Y367 WeakPolarHBondContact O-CD2 3.4Å; D363-Y367 WeakPolarHBondContact O-CE2 3.4Å; P364-Y367 PolarHBondContact O-N 2.88Å; A365-Y367 VanDerWaalsContact C-N 3.31Å; Y367-A376 HydrophobicContact CD1-CB 3.38Å; Y367-A376 HydrophobicContact CD2-CB 4.1Å; Y367-A376 HydrophobicContact CE1-CB 3.77Å; Y367-A376 WeakPolarHBondContact CE1-O 3.36Å; Y367-A376 HydrophobicContact CE2-CB 4.46Å; Y367-A376 HydrophobicContact CG-CB 3.56Å; Y367-F377 WeakPolarHBondContact OH-CD2 3.19Å
368T89.4Confident88.3Confident5 Ų550.4 Ų50.43%0.03127%0.273CS..  trans-66.9149.9171-167.60000111.6S341 I342 W370 L371S341-T368 PolarHBondContact O-N 2.84Å; I342-T368 HydrophobicContact CG1-CG2 4.44Å; T368-W370 VanDerWaalsContact C-N 3.33Å; T368-W370 HydrophobicContact CG2-CD2 3.89Å; T368-W370 HydrophobicContact CG2-CG 4.07Å; T368-W370 HydrophobicContact CG2-CZ2 3.84Å; T368-W370 VanDerWaalsContact CG2-NE1 3.27Å; T368-W370 PolarHBondContact O-N 2.92Å; T368-W370 PolarHBondContact OG1-NE1 3.26Å; T368-L371 HydrophobicContact CG2-CB 4.19Å
369S83.8Confident88.3Confident88 Ų8850.9 Ų50.962%0.61528%0.275SS*.THydrogen-bonded Turntrans-71.6-19.3-174.643.40000115.6P455S369-P455 VanDerWaalsContact CB-OXT 3.28Å; S369-P455 WeakPolarHBondContact CB-OXT 3.29Å; S369-P455 PolarHBondContact OG-OXT 3.28Å
370W85.9Confident88.4Confident123 Ų12345.8 Ų45.847%0.46625%0.251SS..THydrogen-bonded Turntrans-86.1-14.1-175.959.9-98.8000114.2P265 H266 F269 I342 T368P265-W370 HydrophobicContact CG-CH2 4.02Å; H266-W370 HydrophobicContact CB-CH2 4.48Å; F269-W370 HydrophobicContact CD2-CH2 4.39Å; F269-W370 HydrophobicContact CD2-CZ2 4.03Å; F269-W370 HydrophobicContact CE2-CH2 4.49Å; F269-W370 AromaticContact CE2-CZ2 3.83Å; F269-W370 HydrophobicContact CE2-CZ2 3.83Å; I342-W370 HydrophobicContact CD1-CZ2 4.4Å; I342-W370 HydrophobicContact CG1-CZ2 4.25Å; I342-W370 HydrophobicContact CG2-CH2 3.69Å; I342-W370 HydrophobicContact CG2-CZ2 3.72Å; T368-W370 VanDerWaalsContact C-N 3.33Å; T368-W370 HydrophobicContact CG2-CD2 3.89Å; T368-W370 HydrophobicContact CG2-CG 4.07Å; T368-W370 HydrophobicContact CG2-CZ2 3.84Å; T368-W370 VanDerWaalsContact CG2-NE1 3.27Å; T368-W370 PolarHBondContact O-N 2.92Å; T368-W370 PolarHBondContact OG1-NE1 3.26Å
371L85.8Confident88.6Confident27 Ų2746 Ų4614%0.14124%0.243CC..SBendtrans-106.4131.3176-172.364.8000109.5P265 I342 T368 H375 A376P265-L371 HydrophobicContact CB-CD2 4.38Å; P265-L371 HydrophobicContact CG-CD2 4.19Å; I342-L371 HydrophobicContact CG2-CD2 4.41Å; I342-L371 WeakPolarHBondContact O-CD2 3.23Å; T368-L371 HydrophobicContact CG2-CB 4.19Å; L371-H375 HydrophobicContact CD1-CB 4Å; L371-H375 HydrophobicContact CG-CB 4.26Å; L371-A376 HydrophobicContact CD2-CB 3.84Å; L371-A376 HydrophobicContact CG-CB 4.3Å
372E84.6Confident88.5Confident129 Ų12946 Ų4660%0.60324%0.242SC*.  trans-63136.1175.9-63.4-168.5166.700110.5V374 H375 A376E372-V374 HydrophobicContact CB-CG2 4Å; E372-V374 PolarHBondContact O-N 3.16Å; E372-H375 PolarHBondContact O-N 3.25Å; E372-A376 PolarHBondContact O-N 3.44Å
373P79.3Confident88.4Confident49 Ų4943.8 Ų43.832%0.31824%0.236SC..Hα-helixtrans-55.8-28.2-175.7-28.935.4000114.5P364 H375 A376P364-P373 HydrophobicContact CB-CB 4.3Å; P364-P373 HydrophobicContact CB-CG 3.65Å; P364-P373 HydrophobicContact CG-CB 4.12Å; P364-P373 HydrophobicContact CG-CG 3.78Å; P373-H375 VanDerWaalsContact C-N 3.26Å; P373-H375 PolarHBondContact O-N 3.42Å; P373-A376 PolarHBondContact O-N 3.03Å
374V82.6Confident88.4Confident109 Ų10941.6 Ų41.666%0.66122%0.224SC*.Hα-helixtrans-65.3-28.2177.2-640000113.2E372E372-V374 HydrophobicContact CB-CG2 4Å; E372-V374 PolarHBondContact O-N 3.16Å
375H85.9Confident88.5Confident124 Ų12438.7 Ų38.757%0.57421%0.207SC*.Hα-helixtrans-95.3-13.4177.3-63.9-54000112.6L371 E372 P373L371-H375 HydrophobicContact CD1-CB 4Å; L371-H375 HydrophobicContact CG-CB 4.26Å; E372-H375 PolarHBondContact O-N 3.25Å; P373-H375 VanDerWaalsContact C-N 3.26Å; P373-H375 PolarHBondContact O-N 3.42Å
376A90.4Very high88.5Confident0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-85.8-18.6-176.800000113.1I342 A343 N344 Y367 L371 E372 P373I342-A376 WeakPolarHBondContact O-CB 3.45Å; A343-A376 CarbonylContact C-O 3.46Å; A343-A376 WeakPolarHBondContact CA-O 3.29Å; N344-A376 PolarHBondContact N-O 3.43Å; Y367-A376 HydrophobicContact CD1-CB 3.38Å; Y367-A376 HydrophobicContact CD2-CB 4.1Å; Y367-A376 HydrophobicContact CE1-CB 3.77Å; Y367-A376 WeakPolarHBondContact CE1-O 3.36Å; Y367-A376 HydrophobicContact CE2-CB 4.46Å; Y367-A376 HydrophobicContact CG-CB 3.56Å; L371-A376 HydrophobicContact CD2-CB 3.84Å; L371-A376 HydrophobicContact CG-CB 4.3Å; E372-A376 PolarHBondContact O-N 3.44Å; P373-A376 PolarHBondContact O-N 3.03Å
377F93.8Very high88.2Confident13 Ų1338.8 Ų38.86%0.05721%0.205CC..EExtended strand (participates in β ladder)trans-124137.9-179.7179.7-106.4000112N344 V346 V358 F361 K362 Y367 M379N344-F377 HydrophobicContact CB-CD2 4.37Å; N344-F377 WeakPolarHBondContact O-CA 3.48Å; V346-F377 HydrophobicContact CB-CE2 4.1Å; V346-F377 HydrophobicContact CB-CZ 4.27Å; V346-F377 HydrophobicContact CG2-CE2 3.73Å; V346-F377 HydrophobicContact CG2-CZ 4.29Å; V358-F377 HydrophobicContact CB-CE1 4.3Å; V358-F377 HydrophobicContact CB-CZ 3.99Å; V358-F377 HydrophobicContact CG2-CE1 3.98Å; V358-F377 HydrophobicContact CG2-CZ 4.13Å; F361-F377 HydrophobicContact CB-CD2 3.67Å; F361-F377 HydrophobicContact CB-CE1 4.39Å; F361-F377 HydrophobicContact CB-CE2 3.29Å; F361-F377 HydrophobicContact CB-CG 4.36Å; F361-F377 HydrophobicContact CB-CZ 3.69Å; F361-F377 HydrophobicContact CD1-CE2 4.43Å; F361-F377 AromaticContact CG-CE2 3.94Å; F361-F377 HydrophobicContact CG-CE2 3.94Å; F361-F377 HydrophobicContact CG-CZ 4.36Å; K362-F377 HydrophobicContact CD-CD1 4.46Å; K362-F377 HydrophobicContact CG-CD1 3.59Å; K362-F377 HydrophobicContact CG-CE1 4.07Å; K362-F377 HydrophobicContact CG-CG 4.29Å; Y367-F377 WeakPolarHBondContact OH-CD2 3.19Å; F377-M379 HydrophobicContact CE1-CB 4.24Å; F377-M379 HydrophobicContact CZ-CB 4.21Å
378S92.6Very high87.8Confident15 Ų1543.8 Ų43.811%0.10523%0.227CC..EExtended strand (participates in β ladder)trans-141.6153.3171.8-52.90000111.3H262 N344 L345 V346H262-S378 PolarHBondContact CD2-OG 3.45Å; N344-S378 PolarHBondContact O-N 3.02Å; L345-S378 WeakPolarHBondContact CA-O 3.47Å; V346-S378 PolarHBondContact N-O 2.84Å
379M92.5Very high87.7Confident17 Ų1744.4 Ų44.48%0.08423%0.229CC..EExtended strand (participates in β ladder)trans-129.2133.2178.9-178.9-172.256.800111.2E245 V346 L348 V358 F377 K381E245-M379 HydrophobicContact CG-CB 4.25Å; E245-M379 HydrophobicContact CG-CE 3.73Å; E245-M379 WeakPolarHBondContact OE1-CE 3.43Å; V346-M379 CarbonylContact O-C 3.47Å; V346-M379 VanDerWaalsContact O-CA 3.31Å; V346-M379 WeakPolarHBondContact O-CA 3.15Å; L348-M379 HydrophobicContact CD1-CG 4.47Å; L348-M379 HydrophobicContact CD1-SD 3.9Å; V358-M379 HydrophobicContact CB-SD 4.28Å; V358-M379 HydrophobicContact CG1-CG 4.48Å; V358-M379 HydrophobicContact CG1-SD 3.66Å; V358-M379 HydrophobicContact CG2-CE 4.31Å; V358-M379 HydrophobicContact CG2-SD 3.66Å; F377-M379 HydrophobicContact CE1-CB 4.24Å; F377-M379 HydrophobicContact CZ-CB 4.21Å; M379-K381 HydrophobicContact CE-CD 4.28Å
380W92.3Very high87.9Confident2 Ų244.5 Ų44.51%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-115.7142.6168.2-59.3-20.7000110.4T242 Y243 R252 D258 L259 H262 L345 V346 I347 L348T242-W380 HydrophobicContact CG2-CB 4.47Å; Y243-W380 WeakPolarHBondContact O-CA 3.34Å; R252-W380 VanDerWaalsContact CZ-CZ3 3.45Å; D258-W380 HydrophobicContact CB-CH2 4.11Å; D258-W380 HydrophobicContact CB-CZ2 3.84Å; L259-W380 HydrophobicContact CB-CH2 4.32Å; L259-W380 HydrophobicContact CD2-CH2 3.47Å; L259-W380 VanDerWaalsContact CD2-CH2 3.47Å; L259-W380 HydrophobicContact CD2-CZ3 3.54Å; L259-W380 HydrophobicContact CG-CH2 3.63Å; L259-W380 HydrophobicContact CG-CZ3 3.95Å; H262-W380 AromaticContact ND1-CZ2 3.87Å; L345-W380 HydrophobicContact CD1-CD2 3.52Å; L345-W380 VanDerWaalsContact CD1-CE2 3.47Å; L345-W380 HydrophobicContact CD1-CE3 4.04Å; L345-W380 HydrophobicContact CD1-CG 3.81Å; L345-W380 HydrophobicContact CD1-CH2 4.49Å; L345-W380 HydrophobicContact CD1-CZ2 3.96Å; L345-W380 HydrophobicContact CD2-CD2 3.86Å; L345-W380 HydrophobicContact CD2-CE3 3.51Å; L345-W380 HydrophobicContact CD2-CH2 3.34Å; L345-W380 HydrophobicContact CD2-CZ2 3.63Å; L345-W380 HydrophobicContact CD2-CZ3 3.29Å; L345-W380 HydrophobicContact CG-CD2 4.16Å; L345-W380 HydrophobicContact CG-CE3 4.15Å; L345-W380 HydrophobicContact CG-CZ2 4.43Å; L345-W380 HydrophobicContact CG-CZ3 4.38Å; V346-W380 PolarHBondContact O-N 3.22Å; I347-W380 CarbonylContact C-O 3.57Å; I347-W380 WeakPolarHBondContact CA-O 3.42Å; I347-W380 HydrophobicContact CD1-CE3 3.66Å; I347-W380 HydrophobicContact CD1-CZ3 4.03Å; I347-W380 HydrophobicContact CG1-CB 4.39Å; I347-W380 HydrophobicContact CG1-CD2 4.46Å; I347-W380 HydrophobicContact CG1-CE3 3.76Å; I347-W380 HydrophobicContact CG2-CB 4.4Å; L348-W380 PolarHBondContact N-O 3.3Å
381K91.4Very high88.2Confident39 Ų3939.5 Ų39.517%0.1720%0.201CC..EExtended strand (participates in β ladder)trans-137.5150.6-177.858.6-175.6173.6-176.40112.8Y243 L348 V353 M379Y243-K381 WeakPolarHBondContact CB-O 3.43Å; Y243-K381 PolarHBondContact N-O 3.4Å; Y243-K381 PolarHBondContact O-N 2.85Å; Y243-K381 VanDerWaalsContact O-N 3.08Å; L348-K381 CarbonylContact O-C 3.52Å; L348-K381 VanDerWaalsContact O-CA 3.29Å; L348-K381 WeakPolarHBondContact O-CA 3.47Å; V353-K381 HydrophobicContact CG1-CB 4.35Å; V353-K381 HydrophobicContact CG2-CB 3.78Å; M379-K381 HydrophobicContact CE-CD 4.28Å
382T90.4Very high88.5Confident1 Ų138.4 Ų38.41%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-147.9137.4166.61790000110.6T242 L348 R349 G350 R384T242-T382 HydrophobicContact CG2-CG2 3.87Å; L348-T382 PolarHBondContact O-N 3.46Å; R349-T382 WeakPolarHBondContact CA-O 3.29Å; R349-T382 HydrophobicContact CB-CG2 3.88Å; R349-T382 HydrophobicContact CG-CG2 3.71Å; G350-T382 PolarHBondContact N-O 2.88Å; T382-R384 PolarHBondContact O-N 3.01Å; T382-R384 PolarHBondContact OG1-N 3.22Å
383P88.8Confident89Confident34 Ų3432.2 Ų32.222%0.22117%0.167CC..SBendtrans-70.5-15.3174.830.7-35.5000112.4G350G350-P383 CarbonylContact C-O 3.38Å; G350-P383 WeakPolarHBondContact CA-O 3.14Å; G350-P383 WeakPolarHBondContact O-CA 3.33Å
384R89.5Confident89.8Confident0 Ų029.9 Ų29.90%015%0.152CC..SBendtrans-73.6128.5178.5-163.4-174.8-179.8-84.82.1110.3D26 C29 C34 N39 Y42 G350 T382D26-R384 PolarHBondContact O-NH1 2.9Å; D26-R384 PolarHBondContact O-NH2 2.89Å; D26-R384 IonicContact OD1-NH1 2.79Å; D26-R384 PolarHBondContact OD1-NH1 3.32Å; D26-R384 VanDerWaalsContact OD1-NH1 3.09Å; D26-R384 IonicContact OD2-NH1 3.72Å; D26-R384 PolarHBondContact OD2-NH1 3.05Å; C29-R384 PolarHBondContact O-NH2 2.91Å; C34-R384 HydrophobicContact CB-CB 4.32Å; C34-R384 HydrophobicContact CB-CG 4.39Å; N39-R384 PolarHBondContact OD1-NE 3.21Å; N39-R384 PolarHBondContact OD1-NH2 2.96Å; Y42-R384 VanDerWaalsContact CD1-CD 3.46Å; Y42-R384 VanDerWaalsContact CE1-NH1 3.28Å; G350-R384 PolarHBondContact N-O 3.35Å; T382-R384 PolarHBondContact O-N 3.01Å; T382-R384 PolarHBondContact OG1-N 3.22Å
385A89.5Confident90.4Very high16 Ų1624.7 Ų24.713%0.13212%0.12CC..  trans-61.7155.6170.600000111.1Y389A385-Y389 WeakPolarHBondContact CB-O 3.27Å
386F88.8Confident91Very high1 Ų118.9 Ų18.90%0.0049%0.094CC..BIsolated β-bridgetrans-112.9127.4173.8179.8-103.7000110.2D26 H233 G236 N237 Q240 R349 K388 Y389D26-F386 HydrophobicContact CB-CD2 4.19Å; D26-F386 HydrophobicContact CB-CE2 3.88Å; D26-F386 VanDerWaalsContact CG-CD2 3.44Å; D26-F386 WeakPolarHBondContact OD1-CA 3.44Å; D26-F386 WeakPolarHBondContact OD1-CD2 3.16Å; H233-F386 AromaticContact CE1-CD1 3.58Å; H233-F386 AromaticContact CE1-CE1 3.34Å; H233-F386 WeakPolarHBondContact CE1-CE1 3.43Å; H233-F386 AromaticContact ND1-CE1 3.48Å; H233-F386 WeakPolarHBondContact ND1-CE1 3.38Å; H233-F386 AromaticContact NE2-CD1 3.99Å; H233-F386 AromaticContact NE2-CE1 3.8Å; G236-F386 VanDerWaalsContact C-CZ 3.46Å; N237-F386 HydrophobicContact CB-CD1 4.49Å; N237-F386 HydrophobicContact CB-CE1 4.41Å; N237-F386 WeakPolarHBondContact ND2-CD1 3.49Å; N237-F386 WeakPolarHBondContact ND2-CE1 3.4Å; N237-F386 WeakPolarHBondContact OD1-CD1 3.49Å; Q240-F386 HydrophobicContact CG-CD2 4Å; Q240-F386 HydrophobicContact CG-CE2 3.69Å; R349-F386 HydrophobicContact CB-CB 4.38Å; F386-K388 PolarHBondContact O-N 3.14Å; F386-K388 VanDerWaalsContact O-N 3.14Å; F386-Y389 PolarHBondContact O-N 2.95Å; F386-Y389 VanDerWaalsContact O-N 3.12Å
387D83.8Confident91.2Very high19 Ų1919 Ų1910%0.1029%0.094CC..THydrogen-bonded Turntrans55.8-110.9-179.1-157.914.9000112.1R25 D26 C29 H233R25-D387 IonicContact CZ-OD1 3.82Å; R25-D387 IonicContact CZ-OD2 3.06Å; R25-D387 IonicContact NE-OD1 3.27Å; R25-D387 PolarHBondContact NE-OD1 3.39Å; R25-D387 IonicContact NH2-OD1 3.41Å; R25-D387 PolarHBondContact NH2-OD1 2.93Å; R25-D387 IonicContact NH2-OD2 3.58Å; R25-D387 PolarHBondContact NH2-OD2 3.29Å; D26-D387 PolarHBondContact OD1-N 3.43Å; C29-D387 PolarHBondContact SG-O 2.96Å; H233-D387 IonicContact CE1-OD2 3.22Å; H233-D387 IonicContact ND1-OD2 2.76Å; H233-D387 PolarHBondContact ND1-OD2 2.96Å
388K82.9Confident91.3Very high109 Ų10918.3 Ų18.347%0.4749%0.091SC..THydrogen-bonded Turntrans-108.40.1-179-64177.9177.2175.40113.5E282 L285 F386E282-K388 HydrophobicContact CG-CD 4.29Å; E282-K388 IonicContact OE1-NZ 2.64Å; E282-K388 PolarHBondContact OE1-NZ 3.11Å; E282-K388 IonicContact OE2-NZ 2.68Å; E282-K388 PolarHBondContact OE2-NZ 2.87Å; L285-K388 HydrophobicContact CD1-CB 4.06Å; F386-K388 PolarHBondContact O-N 3.14Å; F386-K388 VanDerWaalsContact O-N 3.14Å
389Y86.8Confident91.4Very high17 Ų1717.8 Ų17.87%0.0679%0.088CC..BIsolated β-bridgetrans-94.2123.5-171.8-64.7-85.9000111.4H233 P278 M280 L285 A385 F386 K391H233-Y389 AromaticContact CE1-CD2 3.63Å; H233-Y389 AromaticContact CE1-CE2 3.34Å; H233-Y389 WeakPolarHBondContact CE1-CE2 3.25Å; H233-Y389 AromaticContact NE2-CE2 3.64Å; P278-Y389 HydrophobicContact CB-CE1 4.33Å; P278-Y389 HydrophobicContact CG-CD1 3.5Å; P278-Y389 VanDerWaalsContact CG-CD1 3.5Å; P278-Y389 HydrophobicContact CG-CE1 3.66Å; P278-Y389 HydrophobicContact CG-CG 4.48Å; M280-Y389 HydrophobicContact CG-CE1 4.32Å; M280-Y389 PolarHBondContact N-OH 3.01Å; M280-Y389 PolarHBondContact O-OH 3.41Å; L285-Y389 HydrophobicContact CD1-CE1 4.48Å; L285-Y389 HydrophobicContact CD2-CD1 3.61Å; L285-Y389 HydrophobicContact CD2-CE1 3.28Å; L285-Y389 HydrophobicContact CG-CE1 4.48Å; A385-Y389 WeakPolarHBondContact CB-O 3.27Å; F386-Y389 PolarHBondContact O-N 2.95Å; F386-Y389 VanDerWaalsContact O-N 3.12Å; Y389-K391 PolarHBondContact O-N 3.5Å
390E88.5Confident91.4Very high90 Ų9017.8 Ų17.842%0.4219%0.087SC..SBendtrans-63.1-34.3175.6-170.3-164.8-153.600111.8G350 K351G350-E390 CarbonylContact C-O 3.04Å; G350-E390 VanDerWaalsContact CA-O 3.28Å; G350-E390 WeakPolarHBondContact CA-O 3.24Å; K351-E390 HydrophobicContact CB-CG 3.93Å; K351-E390 HydrophobicContact CD-CG 4.26Å; K351-E390 WeakPolarHBondContact CD-OE1 3.19Å; K351-E390 PolarHBondContact N-O 2.85Å; K351-E390 IonicContact NZ-OE1 2.69Å; K351-E390 PolarHBondContact NZ-OE1 3.3Å
391K91.9Very high91.4Very high19 Ų1919 Ų198%0.0839%0.093CC..EExtended strand (participates in β ladder)trans-137.9133.5174.2-57.9-172.9-175.481.60109.1P278 F290 W292 L295 R349 K351 Y389P278-K391 WeakPolarHBondContact CD-O 3.48Å; F290-K391 HydrophobicContact CB-CB 4.27Å; F290-K391 WeakPolarHBondContact O-CD 3.49Å; F290-K391 PolarHBondContact O-NZ 3.17Å; W292-K391 HydrophobicContact CD2-CD 4.07Å; W292-K391 HydrophobicContact CG-CD 4.3Å; W292-K391 HydrophobicContact CH2-CB 4.02Å; W292-K391 HydrophobicContact CZ2-CB 4Å; W292-K391 HydrophobicContact CZ2-CD 4.08Å; W292-K391 HydrophobicContact CZ2-CG 4Å; W292-K391 HydrophobicContact CZ3-CB 4.43Å; L295-K391 HydrophobicContact CD1-CB 4.01Å; R349-K391 WeakPolarHBondContact O-CA 3.32Å; K351-K391 WeakPolarHBondContact O-CE 3.35Å; Y389-K391 PolarHBondContact O-N 3.5Å
392S93.3Very high91.4Very high3 Ų317.3 Ų17.32%0.0219%0.086CC..EExtended strand (participates in β ladder)trans-144.1149.9174.653.70000110.5I277 R349I277-S392 WeakPolarHBondContact O-CA 3.47Å; R349-S392 PolarHBondContact N-O 3.35Å; R349-S392 PolarHBondContact O-N 3.43Å
393A94.8Very high91.5Very high0 Ų018.3 Ų18.30%09%0.092CC..EExtended strand (participates in β ladder)trans-133.9135.5176.400000109.7N276 I277 W292 L299 I347 L348N276-A393 WeakPolarHBondContact CA-O 3.5Å; I277-A393 HydrophobicContact CD1-CB 4.47Å; I277-A393 HydrophobicContact CG1-CB 3.98Å; I277-A393 PolarHBondContact N-O 2.95Å; I277-A393 PolarHBondContact O-N 2.81Å; I277-A393 VanDerWaalsContact O-O 3.06Å; W292-A393 HydrophobicContact CZ3-CB 4.47Å; L299-A393 HydrophobicContact CD2-CB 3.82Å; I347-A393 CarbonylContact O-C 3.6Å; I347-A393 VanDerWaalsContact O-CA 3.29Å; I347-A393 WeakPolarHBondContact O-CA 3.41Å; L348-A393 HydrophobicContact CD2-CB 3.64Å
394A95.5Very high91.7Very high0 Ų022.4 Ų22.40%011%0.107CC..EExtended strand (participates in β ladder)trans-118.5142.4168.900000109.7N237 R275 N276 V346 I347N237-A394 HydrophobicContact CB-CB 3.97Å; R275-A394 CarbonylContact O-C 3.5Å; R275-A394 VanDerWaalsContact O-CA 3.29Å; R275-A394 WeakPolarHBondContact O-CA 3.4Å; N276-A394 WeakPolarHBondContact OD1-CB 3.22Å; V346-A394 WeakPolarHBondContact CA-O 3.45Å; I347-A394 HydrophobicContact CB-CB 4.32Å; I347-A394 PolarHBondContact N-O 3.45Å; I347-A394 PolarHBondContact O-N 3.29Å
395L96.1Very high91.8Very high0 Ų023.2 Ų23.20%011%0.112CC..EExtended strand (participates in β ladder)trans-120.2118.9174.2168.865.8000107.8V274 R275 L299 L303 N344 L345 V346V274-L395 CarbonylContact C-O 3.59Å; V274-L395 WeakPolarHBondContact CA-O 3.11Å; R275-L395 HydrophobicContact CB-CB 4.42Å; R275-L395 PolarHBondContact N-O 3.27Å; R275-L395 PolarHBondContact O-N 2.96Å; L299-L395 HydrophobicContact CD1-CB 3.67Å; L299-L395 HydrophobicContact CD1-CD2 4.2Å; L299-L395 HydrophobicContact CD2-CB 3.99Å; L299-L395 HydrophobicContact CG-CB 3.89Å; L299-L395 HydrophobicContact CG-CD2 4.18Å; L303-L395 HydrophobicContact CB-CD2 3.76Å; L303-L395 HydrophobicContact CD1-CD2 3.94Å; L303-L395 HydrophobicContact CG-CD2 4.3Å; N344-L395 HydrophobicContact CB-CD1 4.09Å; L345-L395 WeakPolarHBondContact O-CA 3.2Å; V346-L395 HydrophobicContact CG2-CD1 3.81Å
396V96.7Very high92.1Very high2 Ų222.5 Ų22.51%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-103124.8167.9-166.80000107.2L202 V238 L263 L272 G273 V274 L345 I347L202-V396 HydrophobicContact CD1-CG1 4.38Å; V238-V396 HydrophobicContact CG1-CG2 4.2Å; V238-V396 HydrophobicContact CG2-CG2 3.75Å; L263-V396 HydrophobicContact CD1-CB 3.81Å; L263-V396 HydrophobicContact CD1-CG1 3.43Å; L263-V396 VanDerWaalsContact CD1-CG1 3.43Å; L263-V396 HydrophobicContact CD2-CB 4.41Å; L263-V396 HydrophobicContact CD2-CG1 4.42Å; L263-V396 WeakPolarHBondContact CD2-O 3.35Å; L272-V396 HydrophobicContact CB-CG1 4.19Å; G273-V396 WeakPolarHBondContact O-CA 3.34Å; V274-V396 HydrophobicContact CG2-CG1 4.42Å; V274-V396 HydrophobicContact CG2-CG2 4.39Å; L345-V396 HydrophobicContact CB-CB 4.48Å; L345-V396 PolarHBondContact N-O 2.97Å; L345-V396 PolarHBondContact O-N 2.72Å; I347-V396 HydrophobicContact CD1-CG2 4.41Å
397S95.8Very high92.4Very high1 Ų126.7 Ų26.71%0.00713%0.128CC..EExtended strand (participates in β ladder)trans-132132.4-174.463.70000111.4G273 R275 N344G273-S397 PolarHBondContact N-O 3.14Å; G273-S397 PolarHBondContact O-N 3.25Å; R275-S397 PolarHBondContact NH1-OG 3.2Å; N344-S397 WeakPolarHBondContact OD1-CB 3.47Å
398N96.3Very high93Very high0 Ų028.8 Ų28.80%014%0.138CC..EExtended strand (participates in β ladder)trans-93.5107.1162.4-168.8-9.7000107.9L263 F269 M271 L272 I342 A343 Y450L263-N398 VanDerWaalsContact O-CB 3.31Å; L263-N398 WeakPolarHBondContact O-CB 3.49Å; L263-N398 PolarHBondContact O-ND2 3.34Å; F269-N398 PolarHBondContact O-ND2 3.48Å; M271-N398 PolarHBondContact O-OD1 3.39Å; L272-N398 HydrophobicContact CD2-CB 3.77Å; I342-N398 HydrophobicContact CB-CB 4.43Å; I342-N398 PolarHBondContact N-O 3.43Å; A343-N398 PolarHBondContact N-O 3.24Å; A343-N398 PolarHBondContact O-N 2.94Å; N398-Y450 VanDerWaalsContact OD1-CE1 3.29Å; N398-Y450 WeakPolarHBondContact OD1-CE1 2.97Å; N398-Y450 PolarHBondContact OD1-OH 3.22Å
399S94.2Very high93.5Very high4 Ų424 Ų243%0.02812%0.118CC..EExtended strand (participates in β ladder)trans-156.7175.8-168.366.10000112.7N339 T340 S341 L401N339-S399 PolarHBondContact ND2-OG 3.35Å; T340-S399 WeakPolarHBondContact O-CA 3.45Å; T340-S399 WeakPolarHBondContact O-CB 3.28Å; S341-S399 WeakPolarHBondContact OG-CB 3.48Å; S399-L401 PolarHBondContact O-N 3.24Å; S399-L401 VanDerWaalsContact O-N 3.08Å; S399-L401 WeakPolarHBondContact OG-CB 3.13Å
400Q93.3Very high94Very high16 Ų1623.4 Ų23.48%0.07512%0.116CC..G310 helixtrans-66.5-3.8176.6-67.1-177-45.400115.1N339 T340 L402 V403 Y450 L453N339-Q400 PolarHBondContact OD1-N 3.43Å; T340-Q400 PolarHBondContact O-N 2.93Å; T340-Q400 VanDerWaalsContact O-N 3.08Å; T340-Q400 PolarHBondContact OG1-OE1 3.44Å; Q400-L402 PolarHBondContact O-N 2.85Å; Q400-V403 HydrophobicContact CB-CG2 4.19Å; Q400-V403 WeakPolarHBondContact O-CB 3.24Å; Q400-V403 WeakPolarHBondContact O-CG2 3.47Å; Q400-V403 PolarHBondContact O-N 3.3Å; Q400-Y450 WeakPolarHBondContact CG-O 3.47Å; Q400-Y450 PolarHBondContact NE2-O 2.64Å; Q400-L453 HydrophobicContact CG-CB 4.09Å; Q400-L453 HydrophobicContact CG-CD1 3.97Å; Q400-L453 PolarHBondContact NE2-O 3.21Å; Q400-L453 VanDerWaalsContact NE2-O 3.08Å
401L90.6Very high94.3Very high27 Ų2720.6 Ų20.614%0.14111%0.111CC..G310 helixtrans-47.7-39.4-176.4-179.768.2000113.6G306 N339 S399G306-L401 WeakPolarHBondContact O-CD1 3.36Å; N339-L401 PolarHBondContact OD1-N 2.7Å; S399-L401 PolarHBondContact O-N 3.24Å; S399-L401 VanDerWaalsContact O-N 3.08Å; S399-L401 WeakPolarHBondContact OG-CB 3.13Å
402L91.8Very high94.5Very high4 Ų423.5 Ų23.52%0.02112%0.124CC..G310 helixtrans-95.7-2.9-171.2-65.8161.6000113.3I203 E205 M271 Q400 P405 L406I203-L402 HydrophobicContact CB-CD1 3.81Å; I203-L402 HydrophobicContact CB-CD2 4.22Å; I203-L402 HydrophobicContact CD1-CD1 3.97Å; I203-L402 HydrophobicContact CG1-CD1 4.04Å; I203-L402 HydrophobicContact CG2-CD1 4.38Å; I203-L402 HydrophobicContact CG2-CD2 3.91Å; E205-L402 WeakPolarHBondContact OE1-CD2 3.24Å; M271-L402 HydrophobicContact CB-CD1 3.96Å; M271-L402 HydrophobicContact CE-CB 4.44Å; M271-L402 HydrophobicContact SD-CB 4.23Å; Q400-L402 PolarHBondContact O-N 2.85Å; L402-P405 WeakPolarHBondContact O-CD 3.23Å; L402-L406 VanDerWaalsContact O-CB 3.24Å; L402-L406 WeakPolarHBondContact O-CB 3.49Å; L402-L406 PolarHBondContact O-N 3.09Å
403V93.3Very high94.6Very high22 Ų2223.3 Ų23.313%0.13312%0.123CC..Hα-helixtrans-62.3-52.1179.71780000111.2Q400 L406 D407 V447 Y450Q400-V403 HydrophobicContact CB-CG2 4.19Å; Q400-V403 WeakPolarHBondContact O-CB 3.24Å; Q400-V403 WeakPolarHBondContact O-CG2 3.47Å; Q400-V403 PolarHBondContact O-N 3.3Å; V403-L406 PolarHBondContact O-N 3.23Å; V403-D407 WeakPolarHBondContact O-CB 3.37Å; V403-D407 PolarHBondContact O-N 2.82Å; V403-V447 HydrophobicContact CG1-CG1 4.18Å; V403-Y450 HydrophobicContact CG2-CG 4.21Å
404K92Very high94.7Very high121 Ų12128.3 Ų28.353%0.52614%0.142SC..Hα-helixtrans-61.2-49.6-179.6-67.5-179.5-180176.60112L406 M408K404-L406 VanDerWaalsContact C-N 3.3Å; K404-L406 PolarHBondContact O-N 3.33Å; K404-M408 WeakPolarHBondContact O-CB 3.08Å; K404-M408 VanDerWaalsContact O-CE 3.3Å; K404-M408 WeakPolarHBondContact O-CE 3.48Å; K404-M408 WeakPolarHBondContact O-CG 3.29Å; K404-M408 PolarHBondContact O-N 2.95Å; K404-M408 VanDerWaalsContact O-N 3.12Å
405P93.1Very high94.7Very high17 Ų1733.4 Ų33.411%0.1117%0.169CC..Hα-helixtrans-54.2-43.2173-2834.8000114.1W173 L402 L409W173-P405 HydrophobicContact CZ2-CB 4.23Å; L402-P405 WeakPolarHBondContact O-CD 3.23Å; P405-L409 WeakPolarHBondContact O-CB 3.43Å; P405-L409 PolarHBondContact O-N 3.07Å; P405-L409 VanDerWaalsContact O-N 3.09Å
406L95.3Very high94.6Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-66.9-49.6-179.6179.459.7000112.2W173 L191 M271 L402 V403 K404 M408 L409 V410 L443 V446 V447W173-L406 HydrophobicContact CH2-CB 4Å; W173-L406 HydrophobicContact CH2-CD1 3.89Å; L191-L406 HydrophobicContact CD1-CD1 3.8Å; M271-L406 HydrophobicContact CE-CD2 4.17Å; M271-L406 HydrophobicContact SD-CD2 4.24Å; L402-L406 VanDerWaalsContact O-CB 3.24Å; L402-L406 WeakPolarHBondContact O-CB 3.49Å; L402-L406 PolarHBondContact O-N 3.09Å; V403-L406 PolarHBondContact O-N 3.23Å; K404-L406 VanDerWaalsContact C-N 3.3Å; K404-L406 PolarHBondContact O-N 3.33Å; L406-M408 VanDerWaalsContact C-N 3.29Å; L406-M408 PolarHBondContact O-N 3.1Å; L406-L409 WeakPolarHBondContact O-CA 3.44Å; L406-L409 WeakPolarHBondContact O-CB 3.33Å; L406-L409 PolarHBondContact O-N 3.15Å; L406-V410 HydrophobicContact CD1-CG2 4.23Å; L406-V410 WeakPolarHBondContact O-CG2 3.42Å; L406-V410 PolarHBondContact O-N 3.46Å; L406-L443 HydrophobicContact CD1-CD2 4.43Å; L406-V446 HydrophobicContact CD2-CB 4.49Å; L406-V446 HydrophobicContact CD2-CG1 3.74Å; L406-V447 HydrophobicContact CB-CG2 4.17Å; L406-V447 HydrophobicContact CD2-CG2 3.56Å; L406-V447 HydrophobicContact CG-CG2 3.56Å
407D95.6Very high94.6Very high89 Ų8935.7 Ų35.748%0.47618%0.18SC..Hα-helixtrans-56.5-43.7177.918056.5000111.7V403 L409 V410 G411 V447V403-D407 WeakPolarHBondContact O-CB 3.37Å; V403-D407 PolarHBondContact O-N 2.82Å; D407-L409 VanDerWaalsContact C-N 3.33Å; D407-L409 PolarHBondContact O-N 3.2Å; D407-V410 PolarHBondContact O-N 3.32Å; D407-G411 PolarHBondContact O-N 3.03Å; D407-V447 HydrophobicContact CB-CG1 4.13Å; D407-V447 HydrophobicContact CB-CG2 4.43Å
408M94.5Very high94.6Very high63 Ų6339 Ų3931%0.3121%0.207SC..Hα-helixtrans-66.4-33.3176.1-66.6-178.3-53.900113.4R176 K404 L406 K412R176-M408 VanDerWaalsContact CZ-SD 3.52Å; R176-M408 PolarHBondContact NH2-SD 2.98Å; K404-M408 WeakPolarHBondContact O-CB 3.08Å; K404-M408 VanDerWaalsContact O-CE 3.3Å; K404-M408 WeakPolarHBondContact O-CE 3.48Å; K404-M408 WeakPolarHBondContact O-CG 3.29Å; K404-M408 PolarHBondContact O-N 2.95Å; K404-M408 VanDerWaalsContact O-N 3.12Å; L406-M408 VanDerWaalsContact C-N 3.29Å; L406-M408 PolarHBondContact O-N 3.1Å; M408-K412 WeakPolarHBondContact O-CB 3.15Å; M408-K412 VanDerWaalsContact O-CG 3.29Å; M408-K412 WeakPolarHBondContact O-CG 3.33Å; M408-K412 PolarHBondContact O-N 3.19Å; M408-K412 VanDerWaalsContact O-N 3.13Å
409L94.9Very high94.6Very high9 Ų943.4 Ų43.45%0.04724%0.238CC..Hα-helixtrans-68.4-47.6175.117469.1000110.5M142 W173 N184 I188 L191 P405 L406 D407 K412 A413M142-L409 HydrophobicContact CE-CD2 4.08Å; W173-L409 HydrophobicContact CH2-CD2 3.93Å; W173-L409 HydrophobicContact CZ2-CB 3.88Å; W173-L409 HydrophobicContact CZ2-CD2 3.49Å; W173-L409 VanDerWaalsContact CZ2-CD2 3.49Å; W173-L409 HydrophobicContact CZ2-CG 4.28Å; N184-L409 HydrophobicContact CB-CD1 4.1Å; I188-L409 HydrophobicContact CG2-CG 4.34Å; L191-L409 HydrophobicContact CD1-CD2 4.02Å; P405-L409 WeakPolarHBondContact O-CB 3.43Å; P405-L409 PolarHBondContact O-N 3.07Å; P405-L409 VanDerWaalsContact O-N 3.09Å; L406-L409 WeakPolarHBondContact O-CA 3.44Å; L406-L409 WeakPolarHBondContact O-CB 3.33Å; L406-L409 PolarHBondContact O-N 3.15Å; D407-L409 VanDerWaalsContact C-N 3.33Å; D407-L409 PolarHBondContact O-N 3.2Å; L409-K412 PolarHBondContact O-N 2.64Å; L409-A413 WeakPolarHBondContact O-CB 3.37Å; L409-A413 PolarHBondContact O-N 3.31Å
410V96.3Very high94.6Very high5 Ų549.3 Ų49.33%0.0326%0.263CS..Hα-helixtrans-57.3-51.8176.9170.10000109.9L406 D407 K412 A413 W414 F440 L443 E444L406-V410 HydrophobicContact CD1-CG2 4.23Å; L406-V410 WeakPolarHBondContact O-CG2 3.42Å; L406-V410 PolarHBondContact O-N 3.46Å; D407-V410 PolarHBondContact O-N 3.32Å; V410-K412 PolarHBondContact O-N 2.83Å; V410-A413 PolarHBondContact O-N 2.87Å; V410-W414 WeakPolarHBondContact O-CB 3.48Å; V410-W414 PolarHBondContact O-N 2.77Å; V410-F440 HydrophobicContact CG1-CD1 4.22Å; V410-L443 HydrophobicContact CG2-CB 3.94Å; V410-L443 HydrophobicContact CG2-CD1 4.45Å; V410-E444 HydrophobicContact CG1-CG 3.9Å
411G96.2Very high94.6Very high31 Ų3150 Ų5032%0.3227%0.271SS..Hα-helixtrans-60.2-40.1178.800000113.7D407 W414 N415D407-G411 PolarHBondContact O-N 3.03Å; G411-W414 PolarHBondContact O-N 2.77Å; G411-N415 PolarHBondContact O-N 3.35Å; G411-N415 PolarHBondContact O-ND2 3.36Å; G411-N415 VanDerWaalsContact O-ND2 3.17Å
412K94.7Very high94.8Very high79 Ų7953 Ų5334%0.34328%0.282SS..Hα-helixtrans-64.3-44.9175-79.8-179177.2-169.40112.3R176 M408 L409 V410 M416R176-K412 PolarHBondContact O-NZ 3Å; M408-K412 WeakPolarHBondContact O-CB 3.15Å; M408-K412 VanDerWaalsContact O-CG 3.29Å; M408-K412 WeakPolarHBondContact O-CG 3.33Å; M408-K412 PolarHBondContact O-N 3.19Å; M408-K412 VanDerWaalsContact O-N 3.13Å; L409-K412 PolarHBondContact O-N 2.64Å; V410-K412 PolarHBondContact O-N 2.83Å; K412-M416 WeakPolarHBondContact O-CG 3.25Å; K412-M416 PolarHBondContact O-N 2.86Å
413A95.5Very high94.9Very high0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-66.4-40.2178.100000111.9N184 Y185 I188 L409 V410 N415 M416 F417 F440N184-A413 HydrophobicContact CB-CB 3.96Å; Y185-A413 HydrophobicContact CD1-CB 4.38Å; I188-A413 HydrophobicContact CD1-CB 3.89Å; I188-A413 HydrophobicContact CG2-CB 3.7Å; L409-A413 WeakPolarHBondContact O-CB 3.37Å; L409-A413 PolarHBondContact O-N 3.31Å; V410-A413 PolarHBondContact O-N 2.87Å; A413-N415 PolarHBondContact O-N 3.21Å; A413-M416 WeakPolarHBondContact O-CB 3.46Å; A413-M416 PolarHBondContact O-N 3.22Å; A413-F417 WeakPolarHBondContact O-CB 3.4Å; A413-F417 PolarHBondContact O-N 3.14Å; A413-F440 HydrophobicContact CB-CE1 3.66Å; A413-F440 HydrophobicContact CB-CZ 3.91Å
414W96.8Very high94.9Very high104 Ų10458 Ų5839%0.39430%0.303SS..Hα-helixtrans-60.6-44.4176.5-176.5-97.3000111.7V410 G411 M416 F417 A418 L437 F440V410-W414 WeakPolarHBondContact O-CB 3.48Å; V410-W414 PolarHBondContact O-N 2.77Å; G411-W414 PolarHBondContact O-N 2.77Å; W414-M416 VanDerWaalsContact C-N 3.27Å; W414-M416 PolarHBondContact O-N 2.98Å; W414-F417 WeakPolarHBondContact O-CB 3.28Å; W414-F417 PolarHBondContact O-N 3.47Å; W414-A418 WeakPolarHBondContact O-CB 3.31Å; W414-A418 PolarHBondContact O-N 2.85Å; W414-L437 HydrophobicContact CH2-CD2 4.13Å; W414-L437 HydrophobicContact CZ3-CD2 3.95Å; W414-F440 HydrophobicContact CB-CE1 4.17Å; W414-F440 HydrophobicContact CB-CZ 4.45Å; W414-F440 HydrophobicContact CE3-CB 4.32Å; W414-F440 HydrophobicContact CE3-CD1 4.07Å; W414-F440 AromaticContact CE3-CD2 3.69Å; W414-F440 HydrophobicContact CE3-CD2 3.69Å; W414-F440 HydrophobicContact CE3-CE1 4.28Å; W414-F440 AromaticContact CE3-CE2 3.94Å; W414-F440 HydrophobicContact CE3-CE2 3.94Å; W414-F440 AromaticContact CE3-CG 3.78Å; W414-F440 HydrophobicContact CE3-CG 3.78Å; W414-F440 HydrophobicContact CE3-CZ 4.23Å; W414-F440 HydrophobicContact CZ3-CB 4.3Å; W414-F440 AromaticContact CZ3-CD2 3.85Å; W414-F440 HydrophobicContact CZ3-CD2 3.85Å; W414-F440 HydrophobicContact CZ3-CE2 4.39Å; W414-F440 HydrophobicContact CZ3-CG 4.1Å
415N95.9Very high95Very high108 Ų10855.5 Ų55.558%0.57829%0.293SS*.Hα-helixtrans-60.1-38.1176.2-71.5-26.6000112.5G411 A413 S419G411-N415 PolarHBondContact O-N 3.35Å; G411-N415 PolarHBondContact O-ND2 3.36Å; G411-N415 VanDerWaalsContact O-ND2 3.17Å; A413-N415 PolarHBondContact O-N 3.21Å; N415-S419 PolarHBondContact O-N 3.19Å; N415-S419 PolarHBondContact O-OG 3.45Å
416M95Very high95.1Very high30 Ų3054.7 Ų54.715%0.14829%0.288CS..Hα-helixtrans-65.6-42.6173.3-66.5173.362.300111.1I181 N184 Y185 K412 A413 W414 S419 K420 A421 Y422I181-M416 WeakPolarHBondContact O-CE 3.45Å; N184-M416 HydrophobicContact CB-SD 4.07Å; N184-M416 PolarHBondContact ND2-SD 3.2Å; N184-M416 VanDerWaalsContact ND2-SD 3.43Å; Y185-M416 HydrophobicContact CD2-CE 4.17Å; Y185-M416 HydrophobicContact CE1-CB 4.04Å; Y185-M416 HydrophobicContact CE2-CB 4.35Å; Y185-M416 HydrophobicContact CE2-CE 3.99Å; Y185-M416 WeakPolarHBondContact OH-CB 3.39Å; Y185-M416 PolarHBondContact OH-O 3.36Å; Y185-M416 VanDerWaalsContact OH-O 3.12Å; K412-M416 WeakPolarHBondContact O-CG 3.25Å; K412-M416 PolarHBondContact O-N 2.86Å; A413-M416 WeakPolarHBondContact O-CB 3.46Å; A413-M416 PolarHBondContact O-N 3.22Å; W414-M416 VanDerWaalsContact C-N 3.27Å; W414-M416 PolarHBondContact O-N 2.98Å; M416-S419 PolarHBondContact O-N 3.15Å; M416-K420 PolarHBondContact O-N 3.28Å; M416-A421 WeakPolarHBondContact O-CB 3.28Å; M416-A421 PolarHBondContact O-N 3.2Å; M416-Y422 HydrophobicContact CE-CD2 4.2Å
417F96.4Very high95.1Very high20 Ų2057.6 Ų57.69%0.08831%0.306CS..Hα-helixtrans-66.5-47.4-178-174.5-98.4000112.1Y185 A413 W414 S419 K420 I423 E433 F436 L437 F440Y185-F417 HydrophobicContact CE1-CB 4.04Å; Y185-F417 WeakPolarHBondContact OH-CA 3.48Å; Y185-F417 PolarHBondContact OH-N 2.91Å; A413-F417 WeakPolarHBondContact O-CB 3.4Å; A413-F417 PolarHBondContact O-N 3.14Å; W414-F417 WeakPolarHBondContact O-CB 3.28Å; W414-F417 PolarHBondContact O-N 3.47Å; F417-S419 PolarHBondContact O-N 3.07Å; F417-K420 WeakPolarHBondContact O-CA 3.27Å; F417-K420 PolarHBondContact O-N 3.35Å; F417-I423 HydrophobicContact CD2-CD1 3.52Å; F417-I423 HydrophobicContact CD2-CG1 4.25Å; F417-I423 HydrophobicContact CE2-CD1 3.67Å; F417-I423 HydrophobicContact CG-CD1 4.27Å; F417-E433 HydrophobicContact CE2-CB 4.41Å; F417-E433 HydrophobicContact CE2-CG 4.47Å; F417-E433 HydrophobicContact CZ-CB 4.11Å; F417-E433 HydrophobicContact CZ-CG 4.43Å; F417-F436 HydrophobicContact CD2-CB 3.9Å; F417-F436 HydrophobicContact CD2-CD1 4.32Å; F417-F436 HydrophobicContact CD2-CG 4.07Å; F417-F436 HydrophobicContact CE2-CB 3.5Å; F417-F436 VanDerWaalsContact CE2-CB 3.5Å; F417-F436 HydrophobicContact CE2-CD2 4.17Å; F417-F436 AromaticContact CE2-CG 3.85Å; F417-F436 HydrophobicContact CE2-CG 3.85Å; F417-F436 HydrophobicContact CZ-CB 4.18Å; F417-L437 HydrophobicContact CE1-CD2 3.7Å; F417-L437 HydrophobicContact CE1-CG 4.24Å; F417-L437 HydrophobicContact CZ-CD2 4.12Å; F417-L437 HydrophobicContact CZ-CG 4.15Å; F417-F440 HydrophobicContact CB-CE2 3.87Å; F417-F440 HydrophobicContact CB-CZ 3.99Å; F417-F440 HydrophobicContact CD1-CE2 4.19Å; F417-F440 HydrophobicContact CD2-CE2 4.12Å; F417-F440 AromaticContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CZ 4.42Å
418A95.6Very high95Very high69 Ų6963 Ų6357%0.5732%0.32SS*.Hα-helixtrans-58.8-30.8176.500000112.3W414 K420W414-A418 WeakPolarHBondContact O-CB 3.31Å; W414-A418 PolarHBondContact O-N 2.85Å; A418-K420 VanDerWaalsContact C-N 3.28Å; A418-K420 PolarHBondContact O-N 3.42Å
419S95.8Very high95Very high94 Ų9462.5 Ų62.566%0.65732%0.316SS*.THydrogen-bonded Turntrans-84.82.3175.2-530000113.6N415 M416 F417 A421N415-S419 PolarHBondContact O-N 3.19Å; N415-S419 PolarHBondContact O-OG 3.45Å; M416-S419 PolarHBondContact O-N 3.15Å; F417-S419 PolarHBondContact O-N 3.07Å; S419-A421 PolarHBondContact O-N 3.41Å; S419-A421 VanDerWaalsContact O-N 3.07Å
420K93.8Very high94.8Very high128 Ų12865 Ų6556%0.55734%0.344SS*.THydrogen-bonded Turntrans50.226.9-170.5-60.5-163172.2-130.70114.2M416 F417 A418 Y422 I423 E433M416-K420 PolarHBondContact O-N 3.28Å; F417-K420 WeakPolarHBondContact O-CA 3.27Å; F417-K420 PolarHBondContact O-N 3.35Å; A418-K420 VanDerWaalsContact C-N 3.28Å; A418-K420 PolarHBondContact O-N 3.42Å; K420-Y422 PolarHBondContact O-N 3.17Å; K420-I423 HydrophobicContact CB-CD1 4.23Å; K420-I423 HydrophobicContact CG-CD1 4.33Å; K420-E433 IonicContact NZ-OE1 2.78Å; K420-E433 PolarHBondContact NZ-OE1 3.09Å; K420-E433 IonicContact NZ-OE2 3.18Å; K420-E433 PolarHBondContact NZ-OE2 2.89Å
421A94.1Very high94.7Very high30 Ų3065.3 Ų65.325%0.24835%0.345CS..  trans-70.8130.1-17700000109.7Y185 M416 S419 I423Y185-A421 WeakPolarHBondContact CE2-O 3.15Å; Y185-A421 PolarHBondContact OH-O 3.47Å; M416-A421 WeakPolarHBondContact O-CB 3.28Å; M416-A421 PolarHBondContact O-N 3.2Å; S419-A421 PolarHBondContact O-N 3.41Å; S419-A421 VanDerWaalsContact O-N 3.07Å; A421-I423 PolarHBondContact O-N 3.19Å
422Y94.4Very high94.6Very high91 Ų9169.9 Ų69.936%0.35736%0.358SS..SBendtrans58.81.6174.7-53.3-76.2000117.7I181 V182 M416 K420 H424 Q425I181-Y422 HydrophobicContact CG2-CD2 4Å; I181-Y422 HydrophobicContact CG2-CE1 4.24Å; I181-Y422 HydrophobicContact CG2-CE2 3.35Å; I181-Y422 VanDerWaalsContact CG2-CZ 3.49Å; V182-Y422 HydrophobicContact CG1-CD1 4.4Å; V182-Y422 HydrophobicContact CG1-CG 4.05Å; M416-Y422 HydrophobicContact CE-CD2 4.2Å; K420-Y422 PolarHBondContact O-N 3.17Å; Y422-H424 PolarHBondContact O-N 2.98Å; Y422-Q425 WeakPolarHBondContact O-CB 3.48Å; Y422-Q425 PolarHBondContact O-N 3.13Å
423I94.2Very high94.6Very high7 Ų769.9 Ų69.94%0.03636%0.36CS..THydrogen-bonded Turntrans-56.3-39.5179.9-62.9-177.9000111.6F417 K420 A421 Q425 Y426 T427 E433F417-I423 HydrophobicContact CD2-CD1 3.52Å; F417-I423 HydrophobicContact CD2-CG1 4.25Å; F417-I423 HydrophobicContact CE2-CD1 3.67Å; F417-I423 HydrophobicContact CG-CD1 4.27Å; K420-I423 HydrophobicContact CB-CD1 4.23Å; K420-I423 HydrophobicContact CG-CD1 4.33Å; A421-I423 PolarHBondContact O-N 3.19Å; I423-Q425 PolarHBondContact O-N 3.33Å; I423-Y426 PolarHBondContact O-N 3.43Å; I423-T427 HydrophobicContact CG2-CG2 3.77Å; I423-T427 PolarHBondContact O-N 2.9Å; I423-T427 VanDerWaalsContact O-N 3.09Å; I423-E433 HydrophobicContact CG2-CG 4.23Å
424H93.4Very high94.6Very high122 Ų12275.8 Ų75.857%0.56539%0.387SS*.Hα-helixtrans-56.1-24.3178.569.9-88.9000114.2Y422 Y426 T427 R428Y422-H424 PolarHBondContact O-N 2.98Å; H424-Y426 VanDerWaalsContact C-N 3.3Å; H424-T427 WeakPolarHBondContact CA-OG1 3.3Å; H424-T427 PolarHBondContact O-OG1 3.16Å; H424-R428 WeakPolarHBondContact O-CB 3.34Å; H424-R428 PolarHBondContact O-N 3.42Å
425Q93.4Very high94.5Very high69 Ų6973.8 Ų73.832%0.32238%0.384SS..Hα-helixtrans-71.7-27.8176.6-60.1-170.51.700112N103 Y422 I423 F429N103-Q425 PolarHBondContact ND2-O 3.31Å; Y422-Q425 WeakPolarHBondContact O-CB 3.48Å; Y422-Q425 PolarHBondContact O-N 3.13Å; I423-Q425 PolarHBondContact O-N 3.33Å; Q425-F429 WeakPolarHBondContact O-CD2 3.14Å; Q425-F429 WeakPolarHBondContact O-CE2 3.27Å
426Y95.8Very high94.6Very high0 Ų068.6 Ų68.60%036%0.357CS..Hα-helixtrans-89.2-41.8179.3-65-102.5000110.7W104 A105 V182 Y185 N186 L189 I423 H424 R428 F429 M431 F436W104-Y426 HydrophobicContact CB-CE1 4.02Å; A105-Y426 HydrophobicContact CB-CD1 3.81Å; A105-Y426 HydrophobicContact CB-CG 4.35Å; V182-Y426 HydrophobicContact CB-CE2 4.43Å; V182-Y426 WeakPolarHBondContact CB-OH 3.23Å; V182-Y426 PolarHBondContact O-OH 2.75Å; Y185-Y426 WeakPolarHBondContact CB-OH 3.22Å; Y185-Y426 HydrophobicContact CD2-CD2 4.49Å; Y185-Y426 AromaticContact CD2-CE2 3.75Å; Y185-Y426 HydrophobicContact CD2-CE2 3.75Å; Y185-Y426 HydrophobicContact CG-CE2 4.43Å; N186-Y426 PolarHBondContact OD1-OH 2.88Å; L189-Y426 HydrophobicContact CD1-CD1 3.98Å; L189-Y426 HydrophobicContact CD1-CE1 3.87Å; I423-Y426 PolarHBondContact O-N 3.43Å; H424-Y426 VanDerWaalsContact C-N 3.3Å; Y426-R428 VanDerWaalsContact C-N 3.25Å; Y426-R428 PolarHBondContact O-N 2.93Å; Y426-F429 PolarHBondContact O-N 2.9Å; Y426-M431 HydrophobicContact CD1-CE 4.16Å; Y426-F436 AromaticContact CD1-CZ 3.88Å; Y426-F436 HydrophobicContact CD1-CZ 3.88Å; Y426-F436 HydrophobicContact CD2-CZ 4.08Å; Y426-F436 HydrophobicContact CG-CE2 4.43Å; Y426-F436 AromaticContact CG-CZ 3.66Å; Y426-F436 HydrophobicContact CG-CZ 3.66Å
427T94.2Very high94.7Very high61 Ų6170.5 Ų70.537%0.37437%0.367SS..Hα-helixtrans-64.4-30.2-179.962.90000113.2I423 H424 F429 G430 M431I423-T427 HydrophobicContact CG2-CG2 3.77Å; I423-T427 PolarHBondContact O-N 2.9Å; I423-T427 VanDerWaalsContact O-N 3.09Å; H424-T427 WeakPolarHBondContact CA-OG1 3.3Å; H424-T427 PolarHBondContact O-OG1 3.16Å; T427-F429 PolarHBondContact O-N 3.37Å; T427-F429 VanDerWaalsContact O-N 3.09Å; T427-G430 PolarHBondContact O-N 3.41Å; T427-M431 WeakPolarHBondContact CA-O 3.36Å; T427-M431 WeakPolarHBondContact CB-O 3.24Å; T427-M431 WeakPolarHBondContact CG2-O 3.33Å
428R94.5Very high94.7Very high204 Ų20473.4 Ų73.477%0.7738%0.383SS*.THydrogen-bonded Turntrans-55.6-26171-179.7176.7177.1-172.3-0.1113.4H424 Y426H424-R428 WeakPolarHBondContact O-CB 3.34Å; H424-R428 PolarHBondContact O-N 3.42Å; Y426-R428 VanDerWaalsContact C-N 3.25Å; Y426-R428 PolarHBondContact O-N 2.93Å
429F93.9Very high94.8Very high51 Ų5170.1 Ų70.122%0.22436%0.356CS..THydrogen-bonded Turntrans-106.721.2-179.7-58.1-63.1000112.9A105 Y106 S109 V110 Q425 Y426 T427A105-F429 HydrophobicContact CB-CB 3.96Å; Y106-F429 AromaticContact CD2-CD1 3.41Å; Y106-F429 HydrophobicContact CD2-CD1 3.41Å; Y106-F429 VanDerWaalsContact CD2-CD1 3.41Å; Y106-F429 HydrophobicContact CD2-CD2 4.36Å; Y106-F429 AromaticContact CD2-CE1 3.22Å; Y106-F429 HydrophobicContact CD2-CE1 3.22Å; Y106-F429 HydrophobicContact CD2-CE2 4.23Å; Y106-F429 AromaticContact CD2-CG 3.98Å; Y106-F429 HydrophobicContact CD2-CG 3.98Å; Y106-F429 AromaticContact CD2-CZ 3.68Å; Y106-F429 HydrophobicContact CD2-CZ 3.68Å; Y106-F429 HydrophobicContact CE2-CD1 4.13Å; Y106-F429 AromaticContact CE2-CE1 3.68Å; Y106-F429 HydrophobicContact CE2-CE1 3.68Å; Y106-F429 HydrophobicContact CE2-CZ 4.29Å; Y106-F429 HydrophobicContact CG-CD1 4.25Å; Y106-F429 HydrophobicContact CG-CD2 4.45Å; Y106-F429 AromaticContact CG-CE1 4Å; Y106-F429 HydrophobicContact CG-CE1 4Å; Y106-F429 HydrophobicContact CG-CE2 4.23Å; Y106-F429 HydrophobicContact CG-CG 4.46Å; Y106-F429 AromaticContact CG-CZ 3.98Å; Y106-F429 HydrophobicContact CG-CZ 3.98Å; S109-F429 VanDerWaalsContact CB-O 3.27Å; S109-F429 WeakPolarHBondContact CB-O 3.01Å; V110-F429 HydrophobicContact CG2-CB 4.39Å; V110-F429 HydrophobicContact CG2-CD1 4.03Å; Q425-F429 WeakPolarHBondContact O-CD2 3.14Å; Q425-F429 WeakPolarHBondContact O-CE2 3.27Å; Y426-F429 PolarHBondContact O-N 2.9Å; T427-F429 PolarHBondContact O-N 3.37Å; T427-F429 VanDerWaalsContact O-N 3.09Å
430G90.7Very high94.9Very high63 Ų6365.8 Ų65.865%0.64933%0.325SS*.THydrogen-bonded Turntrans86.615.6169.700000115.2T427T427-G430 PolarHBondContact O-N 3.41Å
431M93.7Very high95.1Very high11 Ų1163.8 Ų63.85%0.05432%0.324CS..  trans-86.2148.3166.4-67.3-128.2-39.900111.7W104 A105 L189 Y426 T427 D435 F436W104-M431 HydrophobicContact CE3-CE 4.5Å; W104-M431 HydrophobicContact CE3-SD 3.84Å; W104-M431 HydrophobicContact CZ3-CE 4.49Å; W104-M431 HydrophobicContact CZ3-SD 3.43Å; W104-M431 WeakPolarHBondContact CZ3-SD 3.35Å; A105-M431 HydrophobicContact CB-CG 3.68Å; A105-M431 HydrophobicContact CB-SD 4.34Å; L189-M431 HydrophobicContact CD1-CE 3.45Å; L189-M431 VanDerWaalsContact CD1-CE 3.45Å; L189-M431 HydrophobicContact CD1-SD 4.39Å; L189-M431 HydrophobicContact CD2-CE 3.67Å; L189-M431 HydrophobicContact CG-CE 4.2Å; Y426-M431 HydrophobicContact CD1-CE 4.16Å; T427-M431 WeakPolarHBondContact CA-O 3.36Å; T427-M431 WeakPolarHBondContact CB-O 3.24Å; T427-M431 WeakPolarHBondContact CG2-O 3.33Å; M431-D435 WeakPolarHBondContact CA-OD2 3.15Å; M431-D435 HydrophobicContact CE-CB 4.27Å; M431-D435 HydrophobicContact SD-CB 4.33Å; M431-F436 HydrophobicContact CE-CD2 3.94Å; M431-F436 HydrophobicContact CE-CE1 4.2Å; M431-F436 HydrophobicContact CE-CE2 3.31Å; M431-F436 HydrophobicContact CE-CZ 3.47Å; M431-F436 VanDerWaalsContact CE-CZ 3.47Å
432E94.9Very high95.2Very high127 Ų12763.9 Ų63.959%0.59332%0.321SS*.  trans-107165176.1-58-16315000111.1E434 D435 F436E432-E434 PolarHBondContact O-N 3.44Å; E432-D435 PolarHBondContact N-OD2 2.97Å; E432-D435 PolarHBondContact O-N 2.81Å; E432-F436 WeakPolarHBondContact O-CD2 3.17Å
433E93.9Very high95.4Very high79 Ų7959.6 Ų59.637%0.36930%0.304SS..Hα-helixtrans-62.7-27.7174.5-72.8-172.5-172.700111.2F417 K420 I423 F436 L437F417-E433 HydrophobicContact CE2-CB 4.41Å; F417-E433 HydrophobicContact CE2-CG 4.47Å; F417-E433 HydrophobicContact CZ-CB 4.11Å; F417-E433 HydrophobicContact CZ-CG 4.43Å; K420-E433 IonicContact NZ-OE1 2.78Å; K420-E433 PolarHBondContact NZ-OE1 3.09Å; K420-E433 IonicContact NZ-OE2 3.18Å; K420-E433 PolarHBondContact NZ-OE2 2.89Å; I423-E433 HydrophobicContact CG2-CG 4.23Å; E433-F436 WeakPolarHBondContact O-CB 3.37Å; E433-F436 PolarHBondContact O-N 3.46Å; E433-L437 PolarHBondContact O-N 2.82Å
434E96Very high95.5Very high123 Ų12363.7 Ų63.758%0.57532%0.323SS*.Hα-helixtrans-63.5-39.9177.2-169166.9-172.500112.4E432 F436 L437 D438E432-E434 PolarHBondContact O-N 3.44Å; E434-F436 PolarHBondContact O-N 3.07Å; E434-F436 VanDerWaalsContact O-N 3.17Å; E434-L437 PolarHBondContact O-N 2.66Å; E434-D438 PolarHBondContact O-N 3.38Å
435D95.7Very high95.6Very high62 Ų6263.3 Ų63.333%0.33232%0.321SS..Hα-helixtrans-57.6-35.1177.1-64.4-50000112.5M431 E432 S439M431-D435 WeakPolarHBondContact CA-OD2 3.15Å; M431-D435 HydrophobicContact CE-CB 4.27Å; M431-D435 HydrophobicContact SD-CB 4.33Å; E432-D435 PolarHBondContact N-OD2 2.97Å; E432-D435 PolarHBondContact O-N 2.81Å; D435-S439 WeakPolarHBondContact O-CB 3.47Å; D435-S439 PolarHBondContact O-N 2.64Å; D435-S439 PolarHBondContact O-OG 3.28Å
436F96.7Very high95.7Very high0 Ų060.4 Ų60.40%031%0.308CS..Hα-helixtrans-71.1-45.9175.1-72.1-91.4000111.2Y185 I188 L189 F417 Y426 M431 E432 E433 E434 D438 S439 F440Y185-F436 HydrophobicContact CD1-CD1 4.08Å; Y185-F436 AromaticContact CD1-CE1 3.78Å; Y185-F436 HydrophobicContact CD1-CE1 3.78Å; Y185-F436 HydrophobicContact CD2-CE1 4.42Å; Y185-F436 HydrophobicContact CE1-CD1 4.38Å; Y185-F436 HydrophobicContact CE1-CE1 4.27Å; Y185-F436 AromaticContact CG-CE1 3.86Å; Y185-F436 HydrophobicContact CG-CE1 3.86Å; I188-F436 HydrophobicContact CD1-CD1 4.18Å; L189-F436 HydrophobicContact CD1-CE1 3.91Å; L189-F436 HydrophobicContact CD1-CZ 4.17Å; L189-F436 HydrophobicContact CD2-CD1 4.26Å; L189-F436 HydrophobicContact CD2-CE1 4.36Å; L189-F436 HydrophobicContact CG-CE1 4.34Å; F417-F436 HydrophobicContact CD2-CB 3.9Å; F417-F436 HydrophobicContact CD2-CD1 4.32Å; F417-F436 HydrophobicContact CD2-CG 4.07Å; F417-F436 HydrophobicContact CE2-CB 3.5Å; F417-F436 VanDerWaalsContact CE2-CB 3.5Å; F417-F436 HydrophobicContact CE2-CD2 4.17Å; F417-F436 AromaticContact CE2-CG 3.85Å; F417-F436 HydrophobicContact CE2-CG 3.85Å; F417-F436 HydrophobicContact CZ-CB 4.18Å; Y426-F436 AromaticContact CD1-CZ 3.88Å; Y426-F436 HydrophobicContact CD1-CZ 3.88Å; Y426-F436 HydrophobicContact CD2-CZ 4.08Å; Y426-F436 HydrophobicContact CG-CE2 4.43Å; Y426-F436 AromaticContact CG-CZ 3.66Å; Y426-F436 HydrophobicContact CG-CZ 3.66Å; M431-F436 HydrophobicContact CE-CD2 3.94Å; M431-F436 HydrophobicContact CE-CE1 4.2Å; M431-F436 HydrophobicContact CE-CE2 3.31Å; M431-F436 HydrophobicContact CE-CZ 3.47Å; M431-F436 VanDerWaalsContact CE-CZ 3.47Å; E432-F436 WeakPolarHBondContact O-CD2 3.17Å; E433-F436 WeakPolarHBondContact O-CB 3.37Å; E433-F436 PolarHBondContact O-N 3.46Å; E434-F436 PolarHBondContact O-N 3.07Å; E434-F436 VanDerWaalsContact O-N 3.17Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 3.17Å; F436-S439 WeakPolarHBondContact O-CB 2.96Å; F436-S439 PolarHBondContact O-N 3.41Å; F436-S439 VanDerWaalsContact O-N 3.13Å; F436-F440 HydrophobicContact CB-CD2 4.38Å; F436-F440 HydrophobicContact CB-CE2 4.13Å; F436-F440 WeakPolarHBondContact O-CD2 3.39Å; F436-F440 WeakPolarHBondContact O-CG 3.41Å; F436-F440 PolarHBondContact O-N 3.21Å
437L97.3Very high95.7Very high70 Ų7061.5 Ų61.537%0.36632%0.315SS..Hα-helixtrans-61-41.5179.7-67.7174.8000111.8W414 F417 E433 E434 S439 F440 T441W414-L437 HydrophobicContact CH2-CD2 4.13Å; W414-L437 HydrophobicContact CZ3-CD2 3.95Å; F417-L437 HydrophobicContact CE1-CD2 3.7Å; F417-L437 HydrophobicContact CE1-CG 4.24Å; F417-L437 HydrophobicContact CZ-CD2 4.12Å; F417-L437 HydrophobicContact CZ-CG 4.15Å; E433-L437 PolarHBondContact O-N 2.82Å; E434-L437 PolarHBondContact O-N 2.66Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.19Å; L437-F440 PolarHBondContact O-N 2.88Å; L437-T441 WeakPolarHBondContact O-CB 3.41Å; L437-T441 PolarHBondContact O-N 3.12Å; L437-T441 PolarHBondContact O-OG1 3.27Å
438D97.3Very high95.8Very high80 Ų8061.5 Ų61.543%0.42832%0.321SS..Hα-helixtrans-62.6-39.3174.2-79-5000111.9E434 F436 L442E434-D438 PolarHBondContact O-N 3.38Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 3.17Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 PolarHBondContact O-N 2.89Å; D438-L442 VanDerWaalsContact O-N 3.09Å
439S97.3Very high95.7Very high1 Ų152.7 Ų52.71%0.00729%0.29CS..Hα-helixtrans-68.7-38.8177-60.70000112.2S192 D435 F436 L437 L443S192-S439 WeakPolarHBondContact OG-CA 3.39Å; D435-S439 WeakPolarHBondContact O-CB 3.47Å; D435-S439 PolarHBondContact O-N 2.64Å; D435-S439 PolarHBondContact O-OG 3.28Å; F436-S439 WeakPolarHBondContact O-CB 2.96Å; F436-S439 PolarHBondContact O-N 3.41Å; F436-S439 VanDerWaalsContact O-N 3.13Å; L437-S439 VanDerWaalsContact C-N 3.3Å; L437-S439 PolarHBondContact O-N 3.19Å; S439-L443 VanDerWaalsContact O-CG 3.3Å; S439-L443 WeakPolarHBondContact O-CG 3.45Å; S439-L443 PolarHBondContact O-N 3.24Å
440F97.9Very high95.7Very high2 Ų250.3 Ų50.31%0.00928%0.28CS..Hα-helixtrans-63.4-51.1173.5-74.3-60.3000111I188 V410 A413 W414 F417 F436 L437 L442 L443 E444I188-F440 HydrophobicContact CD1-CD1 4.29Å; I188-F440 HydrophobicContact CD1-CE1 3.61Å; I188-F440 HydrophobicContact CD1-CE2 4.07Å; I188-F440 HydrophobicContact CD1-CZ 3.47Å; I188-F440 VanDerWaalsContact CD1-CZ 3.47Å; I188-F440 HydrophobicContact CG2-CE1 4.43Å; V410-F440 HydrophobicContact CG1-CD1 4.22Å; A413-F440 HydrophobicContact CB-CE1 3.66Å; A413-F440 HydrophobicContact CB-CZ 3.91Å; W414-F440 HydrophobicContact CB-CE1 4.17Å; W414-F440 HydrophobicContact CB-CZ 4.45Å; W414-F440 HydrophobicContact CE3-CB 4.32Å; W414-F440 HydrophobicContact CE3-CD1 4.07Å; W414-F440 AromaticContact CE3-CD2 3.69Å; W414-F440 HydrophobicContact CE3-CD2 3.69Å; W414-F440 HydrophobicContact CE3-CE1 4.28Å; W414-F440 AromaticContact CE3-CE2 3.94Å; W414-F440 HydrophobicContact CE3-CE2 3.94Å; W414-F440 AromaticContact CE3-CG 3.78Å; W414-F440 HydrophobicContact CE3-CG 3.78Å; W414-F440 HydrophobicContact CE3-CZ 4.23Å; W414-F440 HydrophobicContact CZ3-CB 4.3Å; W414-F440 AromaticContact CZ3-CD2 3.85Å; W414-F440 HydrophobicContact CZ3-CD2 3.85Å; W414-F440 HydrophobicContact CZ3-CE2 4.39Å; W414-F440 HydrophobicContact CZ3-CG 4.1Å; F417-F440 HydrophobicContact CB-CE2 3.87Å; F417-F440 HydrophobicContact CB-CZ 3.99Å; F417-F440 HydrophobicContact CD1-CE2 4.19Å; F417-F440 HydrophobicContact CD2-CE2 4.12Å; F417-F440 AromaticContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CZ 4.42Å; F436-F440 HydrophobicContact CB-CD2 4.38Å; F436-F440 HydrophobicContact CB-CE2 4.13Å; F436-F440 WeakPolarHBondContact O-CD2 3.39Å; F436-F440 WeakPolarHBondContact O-CG 3.41Å; F436-F440 PolarHBondContact O-N 3.21Å; L437-F440 PolarHBondContact O-N 2.88Å; F440-L442 VanDerWaalsContact C-N 3.32Å; F440-L442 PolarHBondContact O-N 3.37Å; F440-L443 PolarHBondContact O-N 2.95Å; F440-L443 VanDerWaalsContact O-N 3.13Å; F440-E444 WeakPolarHBondContact O-CB 3.41Å; F440-E444 WeakPolarHBondContact O-CG 3.43Å; F440-E444 PolarHBondContact O-N 3.39Å
441T97.7Very high95.7Very high86 Ų8649.4 Ų49.453%0.52827%0.271SS..Hα-helixtrans-56.2-46.9-178.1-56.10000111.5L437 L443 E444 Q445L437-T441 WeakPolarHBondContact O-CB 3.41Å; L437-T441 PolarHBondContact O-N 3.12Å; L437-T441 PolarHBondContact O-OG1 3.27Å; T441-L443 PolarHBondContact O-N 3.14Å; T441-E444 PolarHBondContact O-N 2.83Å; T441-Q445 WeakPolarHBondContact O-CB 3.47Å; T441-Q445 PolarHBondContact O-N 3.06Å
442L97.3Very high95.4Very high33 Ų3353.2 Ų53.217%0.17330%0.299CS..Hα-helixtrans-62.9-44.6178.8-177.2149.7000111.9Y195 R196 D438 F440 Q445 V446Y195-L442 HydrophobicContact CG-CD2 4.28Å; R196-L442 HydrophobicContact CG-CD1 3.96Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 PolarHBondContact O-N 2.89Å; D438-L442 VanDerWaalsContact O-N 3.09Å; F440-L442 VanDerWaalsContact C-N 3.32Å; F440-L442 PolarHBondContact O-N 3.37Å; L442-Q445 WeakPolarHBondContact O-CB 3.34Å; L442-Q445 PolarHBondContact O-N 3.03Å; L442-V446 HydrophobicContact CD2-CG2 4.26Å; L442-V446 WeakPolarHBondContact O-CG2 3.27Å; L442-V446 PolarHBondContact O-N 3.19Å
443L96.9Very high94.8Very high0 Ų047.4 Ų47.40%027%0.272CS..Hα-helixtrans-73.3-32.8-178.2-65.7179.2000112.7I188 L191 Y195 L406 V410 S439 F440 T441 V446 V447I188-L443 HydrophobicContact CB-CD1 3.86Å; I188-L443 HydrophobicContact CG2-CD1 4.2Å; L191-L443 HydrophobicContact CB-CD1 4.16Å; L191-L443 HydrophobicContact CB-CD2 3.87Å; Y195-L443 HydrophobicContact CD2-CD2 4.2Å; Y195-L443 HydrophobicContact CE2-CD2 4.42Å; L406-L443 HydrophobicContact CD1-CD2 4.43Å; V410-L443 HydrophobicContact CG2-CB 3.94Å; V410-L443 HydrophobicContact CG2-CD1 4.45Å; S439-L443 VanDerWaalsContact O-CG 3.3Å; S439-L443 WeakPolarHBondContact O-CG 3.45Å; S439-L443 PolarHBondContact O-N 3.24Å; F440-L443 PolarHBondContact O-N 2.95Å; F440-L443 VanDerWaalsContact O-N 3.13Å; T441-L443 PolarHBondContact O-N 3.14Å; L443-V446 WeakPolarHBondContact O-CB 3.36Å; L443-V446 PolarHBondContact O-N 3.47Å; L443-V447 WeakPolarHBondContact O-CG2 3.38Å; L443-V447 PolarHBondContact O-N 3.38Å
444E96.8Very high93.3Very high94 Ų9445.1 Ų45.144%0.43927%0.269SS..Hα-helixtrans-64.1-41171.2-73.9178.1167.700111.3V410 F440 T441 V447 A448V410-E444 HydrophobicContact CG1-CG 3.9Å; F440-E444 WeakPolarHBondContact O-CB 3.41Å; F440-E444 WeakPolarHBondContact O-CG 3.43Å; F440-E444 PolarHBondContact O-N 3.39Å; T441-E444 PolarHBondContact O-N 2.83Å; E444-V447 PolarHBondContact O-N 3.47Å; E444-A448 WeakPolarHBondContact O-CB 3.32Å; E444-A448 PolarHBondContact O-N 3.32Å
445Q96.3Very high91.1Very high114 Ų11444.6 Ų44.653%0.53328%0.277SS..Hα-helixtrans-60-46.7171.8-177.4-178.9-12.500110.9T441 L442 V447 A448 S449T441-Q445 WeakPolarHBondContact O-CB 3.47Å; T441-Q445 PolarHBondContact O-N 3.06Å; L442-Q445 WeakPolarHBondContact O-CB 3.34Å; L442-Q445 PolarHBondContact O-N 3.03Å; Q445-V447 VanDerWaalsContact C-N 3.33Å; Q445-V447 PolarHBondContact O-N 3.48Å; Q445-A448 WeakPolarHBondContact O-CB 3.38Å; Q445-A448 PolarHBondContact O-N 3.44Å; Q445-A448 VanDerWaalsContact O-N 3.15Å; Q445-S449 WeakPolarHBondContact O-CB 3.34Å; Q445-S449 PolarHBondContact O-N 2.89Å; Q445-S449 PolarHBondContact O-OG 2.88Å
446V95.8Very high90.9Very high8 Ų843.8 Ų43.85%0.04827%0.274CS..Hα-helixtrans-57.5-45.3175.8166.20000111.5Y195 M271 L406 L442 L443 A448 S449 Y450Y195-V446 HydrophobicContact CD1-CG2 4.07Å; Y195-V446 HydrophobicContact CE1-CG1 4.17Å; Y195-V446 HydrophobicContact CE1-CG2 3.71Å; Y195-V446 HydrophobicContact CE2-CG1 4.12Å; Y195-V446 HydrophobicContact CE2-CG2 4.27Å; Y195-V446 HydrophobicContact CG-CG2 4.49Å; Y195-V446 WeakPolarHBondContact OH-CG1 3.34Å; M271-V446 HydrophobicContact CE-CG1 3.86Å; L406-V446 HydrophobicContact CD2-CB 4.49Å; L406-V446 HydrophobicContact CD2-CG1 3.74Å; L442-V446 HydrophobicContact CD2-CG2 4.26Å; L442-V446 WeakPolarHBondContact O-CG2 3.27Å; L442-V446 PolarHBondContact O-N 3.19Å; L443-V446 WeakPolarHBondContact O-CB 3.36Å; L443-V446 PolarHBondContact O-N 3.47Å; V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 PolarHBondContact O-N 3.29Å; V446-S449 PolarHBondContact O-N 3.41Å; V446-Y450 HydrophobicContact CG1-CD2 3.95Å; V446-Y450 HydrophobicContact CG1-CE2 4.21Å; V446-Y450 WeakPolarHBondContact O-CD2 3.35Å; V446-Y450 PolarHBondContact O-N 3.33Å
447V95.7Very high90.6Very high22 Ų2246.1 Ų46.113%0.13329%0.288CS..Hα-helixtrans-60-44.9176.4168.50000110.6V403 L406 D407 L443 E444 Q445 G451V403-V447 HydrophobicContact CG1-CG1 4.18Å; L406-V447 HydrophobicContact CB-CG2 4.17Å; L406-V447 HydrophobicContact CD2-CG2 3.56Å; L406-V447 HydrophobicContact CG-CG2 3.56Å; D407-V447 HydrophobicContact CB-CG1 4.13Å; D407-V447 HydrophobicContact CB-CG2 4.43Å; L443-V447 WeakPolarHBondContact O-CG2 3.38Å; L443-V447 PolarHBondContact O-N 3.38Å; E444-V447 PolarHBondContact O-N 3.47Å; Q445-V447 VanDerWaalsContact C-N 3.33Å; Q445-V447 PolarHBondContact O-N 3.48Å; V447-G451 WeakPolarHBondContact O-CA 3.44Å; V447-G451 PolarHBondContact O-N 3.17Å
448A94.9Very high90.2Very high61 Ų6144.7 Ų44.750%0.50428%0.284SS..Hα-helixtrans-63.9-46178.300000111.8E444 Q445 V446 G451 S452E444-A448 WeakPolarHBondContact O-CB 3.32Å; E444-A448 PolarHBondContact O-N 3.32Å; Q445-A448 WeakPolarHBondContact O-CB 3.38Å; Q445-A448 PolarHBondContact O-N 3.44Å; Q445-A448 VanDerWaalsContact O-N 3.15Å; V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 PolarHBondContact O-N 3.29Å; A448-G451 CarbonylContact O-C 3.59Å; A448-G451 PolarHBondContact O-N 3.17Å; A448-S452 WeakPolarHBondContact O-CB 3.47Å; A448-S452 PolarHBondContact O-N 3.39Å
449S93.4Very high89.8Confident19 Ų1942.6 Ų42.613%0.13328%0.276CS..Hα-helixtrans-62.8-48.3-179.5-60.90000111.4E268 Q445 V446 S452E268-S449 VanDerWaalsContact OE1-CB 3.25Å; E268-S449 WeakPolarHBondContact OE1-CB 3.33Å; E268-S449 PolarHBondContact OE1-OG 3.33Å; Q445-S449 WeakPolarHBondContact O-CB 3.34Å; Q445-S449 PolarHBondContact O-N 2.89Å; Q445-S449 PolarHBondContact O-OG 2.88Å; V446-S449 PolarHBondContact O-N 3.41Å; S449-S452 PolarHBondContact O-N 2.68Å; S449-S452 PolarHBondContact O-OG 3.35Å
450Y93.6Very high89.4Confident1 Ų145.3 Ų45.30%0.00429%0.292CS..Hα-helixtrans-67.1-35.8173.9-86.4-89.4000112.6F269 K270 M271 I342 N398 Q400 V403 V446 S452 L453F269-Y450 WeakPolarHBondContact CA-OH 3.43Å; F269-Y450 HydrophobicContact CB-CE1 4.47Å; F269-Y450 HydrophobicContact CB-CE2 4.33Å; F269-Y450 HydrophobicContact CD1-CD1 4.1Å; F269-Y450 AromaticContact CD1-CD2 3.74Å; F269-Y450 HydrophobicContact CD1-CD2 3.74Å; F269-Y450 AromaticContact CD1-CE1 3.93Å; F269-Y450 HydrophobicContact CD1-CE1 3.93Å; F269-Y450 AromaticContact CD1-CE2 3.56Å; F269-Y450 HydrophobicContact CD1-CE2 3.56Å; F269-Y450 HydrophobicContact CD1-CG 4.01Å; F269-Y450 AromaticContact CD1-CZ 3.66Å; F269-Y450 HydrophobicContact CE1-CD2 4.17Å; F269-Y450 HydrophobicContact CE1-CE2 4.42Å; F269-Y450 HydrophobicContact CE1-CG 4.25Å; F269-Y450 HydrophobicContact CG-CE2 4.41Å; K270-Y450 PolarHBondContact N-OH 2.84Å; M271-Y450 HydrophobicContact CE-CD1 4.4Å; M271-Y450 HydrophobicContact CE-CD2 3.51Å; M271-Y450 HydrophobicContact CE-CE1 4.26Å; M271-Y450 HydrophobicContact CE-CE2 3.32Å; M271-Y450 HydrophobicContact CE-CG 4.06Å; M271-Y450 PolarHBondContact N-OH 2.75Å; I342-Y450 HydrophobicContact CD1-CE1 4.16Å; N398-Y450 VanDerWaalsContact OD1-CE1 3.29Å; N398-Y450 WeakPolarHBondContact OD1-CE1 2.97Å; N398-Y450 PolarHBondContact OD1-OH 3.22Å; Q400-Y450 WeakPolarHBondContact CG-O 3.47Å; Q400-Y450 PolarHBondContact NE2-O 2.64Å; V403-Y450 HydrophobicContact CG2-CG 4.21Å; V446-Y450 HydrophobicContact CG1-CD2 3.95Å; V446-Y450 HydrophobicContact CG1-CE2 4.21Å; V446-Y450 WeakPolarHBondContact O-CD2 3.35Å; V446-Y450 PolarHBondContact O-N 3.33Å; Y450-S452 PolarHBondContact O-N 3.17Å; Y450-L453 HydrophobicContact CD1-CD1 3.62Å; Y450-L453 HydrophobicContact CE1-CD1 4.34Å; Y450-L453 HydrophobicContact CG-CD1 4.25Å; Y450-L453 VanDerWaalsContact O-CB 3.32Å; Y450-L453 WeakPolarHBondContact O-CB 3.46Å; Y450-L453 WeakPolarHBondContact O-CD1 3.38Å; Y450-L453 VanDerWaalsContact O-CG 3.26Å; Y450-L453 WeakPolarHBondContact O-CG 3.44Å; Y450-L453 PolarHBondContact O-N 3.16Å
451G89.9Confident88.8Confident45 Ų4548.1 Ų48.146%0.46431%0.311SS..Hα-helixtrans-64.2-28.4176.200000113.1V447 A448 L453V447-G451 WeakPolarHBondContact O-CA 3.44Å; V447-G451 PolarHBondContact O-N 3.17Å; A448-G451 CarbonylContact O-C 3.59Å; A448-G451 PolarHBondContact O-N 3.17Å; G451-L453 VanDerWaalsContact C-N 3.28Å; G451-L453 PolarHBondContact O-N 3.11Å
452S87.9Confident88.2Confident91 Ų9145.4 Ų45.464%0.63630%0.296SS*.THydrogen-bonded Turntrans-80.4-1.5177.277.10000114.6A448 S449 Y450 G454A448-S452 WeakPolarHBondContact O-CB 3.47Å; A448-S452 PolarHBondContact O-N 3.39Å; S449-S452 PolarHBondContact O-N 2.68Å; S449-S452 PolarHBondContact O-OG 3.35Å; Y450-S452 PolarHBondContact O-N 3.17Å; S452-G454 PolarHBondContact O-N 3.13Å
453L81.7Confident87.5Confident4 Ų446.4 Ų46.42%0.02131%0.305CS..  trans-68.576.1173.3-60.7168.5000110.1F269 T340 I342 Q400 Y450 G451F269-L453 HydrophobicContact CE1-CD1 4.42Å; F269-L453 HydrophobicContact CE1-CD2 4.12Å; F269-L453 HydrophobicContact CE1-CG 4.4Å; F269-L453 HydrophobicContact CZ-CD2 4.01Å; T340-L453 WeakPolarHBondContact CB-O 3.31Å; T340-L453 HydrophobicContact CG2-CB 4.36Å; T340-L453 PolarHBondContact OG1-O 2.99Å; I342-L453 HydrophobicContact CD1-CD1 3.7Å; I342-L453 HydrophobicContact CD1-CD2 3.91Å; I342-L453 HydrophobicContact CD1-CG 4.45Å; I342-L453 HydrophobicContact CG1-CD1 3.69Å; I342-L453 HydrophobicContact CG1-CD2 3.72Å; I342-L453 HydrophobicContact CG1-CG 4.35Å; Q400-L453 HydrophobicContact CG-CB 4.09Å; Q400-L453 HydrophobicContact CG-CD1 3.97Å; Q400-L453 PolarHBondContact NE2-O 3.21Å; Q400-L453 VanDerWaalsContact NE2-O 3.08Å; Y450-L453 HydrophobicContact CD1-CD1 3.62Å; Y450-L453 HydrophobicContact CE1-CD1 4.34Å; Y450-L453 HydrophobicContact CG-CD1 4.25Å; Y450-L453 VanDerWaalsContact O-CB 3.32Å; Y450-L453 WeakPolarHBondContact O-CB 3.46Å; Y450-L453 WeakPolarHBondContact O-CD1 3.38Å; Y450-L453 VanDerWaalsContact O-CG 3.26Å; Y450-L453 WeakPolarHBondContact O-CG 3.44Å; Y450-L453 PolarHBondContact O-N 3.16Å; G451-L453 VanDerWaalsContact C-N 3.28Å; G451-L453 PolarHBondContact O-N 3.11Å
454G63.8Low86.7Confident31 Ų3150.3 Ų50.332%0.3233%0.331SS..  trans-86.2156.5168.200000111.5S452S452-G454 PolarHBondContact O-N 3.13Å
455P50.1Low85.7Confident113 Ų11346.3 Ų46.373%0.73432%0.321SS*.  trans-63.50158.732.9-37.6000111.8P320 S369P320-P455 HydrophobicContact CB-CG 4.29Å; P320-P455 HydrophobicContact CG-CB 3.91Å; P320-P455 HydrophobicContact CG-CG 3.83Å; S369-P455 VanDerWaalsContact CB-OXT 3.28Å; S369-P455 WeakPolarHBondContact CB-OXT 3.29Å; S369-P455 PolarHBondContact OG-OXT 3.28Å

Retrieved 455 of 455 residues in 190.1 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).