A0A3Q0KLU5_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A5K4ELU5), UniProt , Accession A0A3Q0KLU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 384 aa.

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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
1M58.2Low63.3Low219 Ų219128.5 Ų128.5100%1.07961%0.614SS**  0-430-155.6168.3174.200114.2L3 T5M1-L3 PolarHBondContact O-N 3.01Å; M1-T5 PolarHBondContact O-OG1 3.42Å
2K55.1Low65.2Low185 Ų185119.6 Ų119.680%0.80458%0.575SS**Hα-helixtrans-61.4-37.7-176.6-73.4-178.1177.6177.70115.8G4 T5 I6K2-G4 PolarHBondContact O-N 3.12Å; K2-T5 PolarHBondContact O-N 3.35Å; K2-I6 PolarHBondContact O-N 3.07Å
3L55.8Low66.8Low149 Ų149112.9 Ų112.978%0.7854%0.542SS*.Hα-helixtrans-66.1-40-176.8-159.473.7000112.7M1 T5 I6 R7M1-L3 PolarHBondContact O-N 3.01Å; L3-T5 VanDerWaalsContact C-N 3.33Å; L3-T5 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 2.86Å; L3-R7 PolarHBondContact O-N 3.16Å; L3-R7 VanDerWaalsContact O-N 3.12Å
4G61.4Low68.4Low42 Ų42109.8 Ų109.843%0.43354%0.538SS..Hα-helixtrans-64.7-35.7178.200000113K2 R8K2-G4 PolarHBondContact O-N 3.12Å; G4-R8 WeakPolarHBondContact O-CB 3.44Å; G4-R8 PolarHBondContact O-N 3.04Å
5T59Low69.8Low72 Ų72105.9 Ų105.944%0.44252%0.519SS..Hα-helixtrans-73-31.9179.2-45.30000112.3M1 K2 L3 K9M1-T5 PolarHBondContact O-OG1 3.42Å; K2-T5 PolarHBondContact O-N 3.35Å; L3-T5 VanDerWaalsContact C-N 3.33Å; L3-T5 PolarHBondContact O-N 3.47Å; T5-K9 VanDerWaalsContact O-CD 3.22Å; T5-K9 WeakPolarHBondContact O-CD 3.28Å; T5-K9 WeakPolarHBondContact O-CE 3.47Å; T5-K9 VanDerWaalsContact O-CG 3.28Å; T5-K9 WeakPolarHBondContact O-CG 3.28Å
6I60.2Low71.2Confident89 Ų8999.3 Ų99.346%0.45649%0.487SS..Hα-helixtrans-69-50.9173.2-64.5171.8000109.5K2 L3 R8 K9 H10K2-I6 PolarHBondContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 2.86Å; I6-R8 VanDerWaalsContact C-N 3.31Å; I6-R8 PolarHBondContact O-N 3.38Å; I6-K9 WeakPolarHBondContact O-CB 3.43Å; I6-K9 PolarHBondContact O-N 3.5Å; I6-K9 VanDerWaalsContact O-N 3.11Å; I6-H10 PolarHBondContact O-CD2 3.36Å
7R65.7Low72.5Confident184 Ų18495.4 Ų95.469%0.69447%0.47SS*.Hα-helixtrans-57-41.8179.6-166.4175.171.5172.63.1112.7L3 K9 H10 I11L3-R7 PolarHBondContact O-N 3.16Å; L3-R7 VanDerWaalsContact O-N 3.12Å; R7-K9 VanDerWaalsContact C-N 3.28Å; R7-K9 PolarHBondContact O-N 3.34Å; R7-H10 PolarHBondContact O-N 3.4Å; R7-I11 HydrophobicContact CG-CD1 4.03Å; R7-I11 WeakPolarHBondContact O-CD1 3.3Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.49Å; R7-I11 PolarHBondContact O-N 3.3Å
8R62Low73.8Confident188 Ų18894.1 Ų94.171%0.70947%0.468SS*.Hα-helixtrans-62.3-32180-164.4-178.5-78.6-167.3-4.2113.1G4 I6 I11 S12G4-R8 WeakPolarHBondContact O-CB 3.44Å; G4-R8 PolarHBondContact O-N 3.04Å; I6-R8 VanDerWaalsContact C-N 3.31Å; I6-R8 PolarHBondContact O-N 3.38Å; R8-I11 PolarHBondContact O-N 3.42Å; R8-S12 PolarHBondContact O-N 3.11Å
9K59Low75Confident51 Ų5191.7 Ų91.722%0.22246%0.455CS..Hα-helixtrans-68.8-44.9-179.8-67.2156.3-170.5174.70112.3T5 I6 R7 I11 S12 F13 K201T5-K9 VanDerWaalsContact O-CD 3.22Å; T5-K9 WeakPolarHBondContact O-CD 3.28Å; T5-K9 WeakPolarHBondContact O-CE 3.47Å; T5-K9 VanDerWaalsContact O-CG 3.28Å; T5-K9 WeakPolarHBondContact O-CG 3.28Å; I6-K9 WeakPolarHBondContact O-CB 3.43Å; I6-K9 PolarHBondContact O-N 3.5Å; I6-K9 VanDerWaalsContact O-N 3.11Å; R7-K9 VanDerWaalsContact C-N 3.28Å; R7-K9 PolarHBondContact O-N 3.34Å; K9-I11 VanDerWaalsContact C-N 3.25Å; K9-I11 PolarHBondContact O-N 3.31Å; K9-S12 PolarHBondContact O-N 2.83Å; K9-F13 PolarHBondContact O-N 2.96Å; K9-K201 VanDerWaalsContact NZ-CE 3.25Å
10H75.4Confident76Confident137 Ų13787.2 Ų87.263%0.63443%0.432SS*.Hα-helixtrans-64.4-35.5177.6-71.2-84000111I6 R7 S14I6-H10 PolarHBondContact O-CD2 3.36Å; R7-H10 PolarHBondContact O-N 3.4Å; H10-S14 WeakPolarHBondContact O-CB 3.39Å; H10-S14 PolarHBondContact O-N 3.4Å
11I85Confident77Confident97 Ų9788.5 Ų88.550%0.49744%0.436SS..Hα-helixtrans-64.8-50.8178.3-65.3163.2000111.3R7 R8 K9 F13 S14 M15R7-I11 HydrophobicContact CG-CD1 4.03Å; R7-I11 WeakPolarHBondContact O-CD1 3.3Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.49Å; R7-I11 PolarHBondContact O-N 3.3Å; R8-I11 PolarHBondContact O-N 3.42Å; K9-I11 VanDerWaalsContact C-N 3.25Å; K9-I11 PolarHBondContact O-N 3.31Å; I11-F13 PolarHBondContact O-N 3.26Å; I11-S14 PolarHBondContact O-N 3.14Å; I11-M15 VanDerWaalsContact O-CB 3.24Å; I11-M15 WeakPolarHBondContact O-CB 3.12Å; I11-M15 PolarHBondContact O-N 3.48Å
12S85.6Confident78.9Confident22 Ų2281.1 Ų81.115%0.15440%0.401CS..Hα-helixtrans-60.9-43.9-178.4-670000112.5R8 K9 A16R8-S12 PolarHBondContact O-N 3.11Å; K9-S12 PolarHBondContact O-N 2.83Å; S12-A16 PolarHBondContact O-N 3.26Å; S12-A16 VanDerWaalsContact O-N 3.12Å
13F85.7Confident80.9Confident33 Ų3372.3 Ų72.315%0.14536%0.362CS..Hα-helixtrans-70.6-43.8179-173.2-112000112.1K9 I11 M15 A16 V17 V118 L119K9-F13 PolarHBondContact O-N 2.96Å; I11-F13 PolarHBondContact O-N 3.26Å; F13-M15 PolarHBondContact O-N 3.12Å; F13-A16 WeakPolarHBondContact O-CB 3.22Å; F13-A16 PolarHBondContact O-N 3.28Å; F13-A16 VanDerWaalsContact O-N 3.11Å; F13-V17 HydrophobicContact CD1-CG2 4.21Å; F13-V17 HydrophobicContact CE1-CG2 3.89Å; F13-V17 HydrophobicContact CE2-CG2 4.4Å; F13-V17 HydrophobicContact CZ-CG2 3.98Å; F13-V17 WeakPolarHBondContact O-CG2 3.28Å; F13-V17 PolarHBondContact O-N 3.03Å; F13-V118 HydrophobicContact CE2-CG1 4.19Å; F13-V118 HydrophobicContact CZ-CG1 4.12Å; F13-L119 HydrophobicContact CD1-CD1 4.41Å; F13-L119 HydrophobicContact CE1-CB 4.2Å; F13-L119 HydrophobicContact CE1-CD1 3.57Å; F13-L119 HydrophobicContact CZ-CB 4.23Å; F13-L119 HydrophobicContact CZ-CD1 4.41Å
14S88.9Confident82.9Confident69 Ų6965.4 Ų65.448%0.48333%0.326SS..Hα-helixtrans-58.5-39.3175.3-1750000111.7H10 I11 V17 T18H10-S14 WeakPolarHBondContact O-CB 3.39Å; H10-S14 PolarHBondContact O-N 3.4Å; I11-S14 PolarHBondContact O-N 3.14Å; S14-V17 PolarHBondContact O-N 2.94Å; S14-T18 WeakPolarHBondContact O-CB 3.24Å; S14-T18 PolarHBondContact O-N 2.89Å; S14-T18 PolarHBondContact O-OG1 3.08Å
15M90.3Very high84.7Confident52 Ų5266.6 Ų66.626%0.25632%0.322SS..Hα-helixtrans-61.9-47.3175.2-174.7-178.675.700111.1I11 F13 V17 T18 F19 F189I11-M15 VanDerWaalsContact O-CB 3.24Å; I11-M15 WeakPolarHBondContact O-CB 3.12Å; I11-M15 PolarHBondContact O-N 3.48Å; F13-M15 PolarHBondContact O-N 3.12Å; M15-V17 PolarHBondContact O-N 3.42Å; M15-T18 PolarHBondContact O-N 3.43Å; M15-F19 HydrophobicContact CG-CD2 3.53Å; M15-F19 HydrophobicContact CG-CE2 3.43Å; M15-F19 VanDerWaalsContact CG-CE2 3.43Å; M15-F19 WeakPolarHBondContact O-CD2 3.48Å; M15-F19 PolarHBondContact O-N 3.33Å; M15-F19 HydrophobicContact SD-CE2 4.19Å; M15-F189 HydrophobicContact CE-CD1 3.86Å; M15-F189 HydrophobicContact CE-CE1 4.35Å
16A92.3Very high86.5Confident0 Ų063.6 Ų63.60%030%0.304CS..Hα-helixtrans-59.1-46177.300000112.4S12 F13 S20 L191S12-A16 PolarHBondContact O-N 3.26Å; S12-A16 VanDerWaalsContact O-N 3.12Å; F13-A16 WeakPolarHBondContact O-CB 3.22Å; F13-A16 PolarHBondContact O-N 3.28Å; F13-A16 VanDerWaalsContact O-N 3.11Å; A16-S20 VanDerWaalsContact O-CB 3.29Å; A16-S20 WeakPolarHBondContact O-CB 3.1Å; A16-S20 PolarHBondContact O-N 2.91Å; A16-L191 HydrophobicContact CB-CD2 4.14Å; A16-L191 HydrophobicContact CB-CG 4.11Å
17V92.9Very high88.3Confident33 Ų3359.6 Ų59.620%0.228%0.284CS..Hα-helixtrans-60.3-48.5177.7175.10000110.9F13 S14 M15 S20 F21 I115F13-V17 HydrophobicContact CD1-CG2 4.21Å; F13-V17 HydrophobicContact CE1-CG2 3.89Å; F13-V17 HydrophobicContact CE2-CG2 4.4Å; F13-V17 HydrophobicContact CZ-CG2 3.98Å; F13-V17 WeakPolarHBondContact O-CG2 3.28Å; F13-V17 PolarHBondContact O-N 3.03Å; S14-V17 PolarHBondContact O-N 2.94Å; M15-V17 PolarHBondContact O-N 3.42Å; V17-S20 PolarHBondContact O-N 2.91Å; V17-F21 PolarHBondContact O-N 3.47Å; V17-I115 HydrophobicContact CB-CG2 4.45Å; V17-I115 HydrophobicContact CG2-CG2 3.68Å
18T95.2Very high89.8Confident72 Ų7254.5 Ų54.544%0.44227%0.269SS..Hα-helixtrans-61.9-48.9-177.6-52.80000111.1S14 M15 F21 L22S14-T18 WeakPolarHBondContact O-CB 3.24Å; S14-T18 PolarHBondContact O-N 2.89Å; S14-T18 PolarHBondContact O-OG1 3.08Å; M15-T18 PolarHBondContact O-N 3.43Å; T18-F21 PolarHBondContact O-N 2.87Å; T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.15Å
19F96.8Very high91.5Very high49 Ų4948.2 Ų48.222%0.21525%0.249CC..Hα-helixtrans-69.4-32.9179.2-76.2-62.9000113M15 F21 L22 A23 F183 F186 C187M15-F19 HydrophobicContact CG-CD2 3.53Å; M15-F19 HydrophobicContact CG-CE2 3.43Å; M15-F19 VanDerWaalsContact CG-CE2 3.43Å; M15-F19 WeakPolarHBondContact O-CD2 3.48Å; M15-F19 PolarHBondContact O-N 3.33Å; M15-F19 HydrophobicContact SD-CE2 4.19Å; F19-F21 VanDerWaalsContact C-N 3.32Å; F19-F21 PolarHBondContact O-N 3.29Å; F19-L22 HydrophobicContact CD1-CD1 4.4Å; F19-L22 PolarHBondContact O-N 2.89Å; F19-A23 WeakPolarHBondContact O-CB 3.28Å; F19-A23 PolarHBondContact O-N 3.21Å; F19-F183 HydrophobicContact CD1-CB 4.3Å; F19-F183 AromaticContact CD1-CD1 3.57Å; F19-F183 HydrophobicContact CD1-CD1 3.57Å; F19-F183 HydrophobicContact CD1-CE1 4.28Å; F19-F183 HydrophobicContact CD1-CG 4.23Å; F19-F183 AromaticContact CE1-CD1 3.83Å; F19-F183 HydrophobicContact CE1-CD1 3.83Å; F19-F183 HydrophobicContact CE1-CE1 4.17Å; F19-F186 HydrophobicContact CB-CB 4.24Å; F19-F186 HydrophobicContact CD1-CB 4.01Å; F19-F186 HydrophobicContact CD2-CB 3.56Å; F19-F186 HydrophobicContact CD2-CG 4.45Å; F19-F186 HydrophobicContact CE1-CB 4.23Å; F19-F186 HydrophobicContact CE1-CG 4.39Å; F19-F186 HydrophobicContact CE2-CB 3.79Å; F19-F186 HydrophobicContact CE2-CD1 4.38Å; F19-F186 HydrophobicContact CE2-CG 4.22Å; F19-F186 HydrophobicContact CG-CB 3.68Å; F19-F186 HydrophobicContact CZ-CB 4.13Å; F19-F186 HydrophobicContact CZ-CD1 4.45Å; F19-F186 HydrophobicContact CZ-CG 4.19Å; F19-C187 HydrophobicContact CB-CB 4.19Å
20S96.3Very high93.3Very high0 Ų045.8 Ų45.80%024%0.239CC..Hα-helixtrans-63.1-40.6173.3-1670000111.8A16 V17 A23 A24 I115A16-S20 VanDerWaalsContact O-CB 3.29Å; A16-S20 WeakPolarHBondContact O-CB 3.1Å; A16-S20 PolarHBondContact O-N 2.91Å; V17-S20 PolarHBondContact O-N 2.91Å; S20-A23 PolarHBondContact O-N 3.42Å; S20-A24 WeakPolarHBondContact O-CB 3.39Å; S20-A24 PolarHBondContact O-N 3.42Å; S20-I115 WeakPolarHBondContact OG-CD1 3.43Å
21F96.7Very high94.3Very high115 Ų11540.9 Ų40.950%0.50422%0.216SC..Hα-helixtrans-67.7-45.1177.9-176.4-104.8000111.8V17 T18 F19 A23 A24 I25 L112V17-F21 PolarHBondContact O-N 3.47Å; T18-F21 PolarHBondContact O-N 2.87Å; F19-F21 VanDerWaalsContact C-N 3.32Å; F19-F21 PolarHBondContact O-N 3.29Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.17Å; F21-A24 PolarHBondContact O-N 3.44Å; F21-I25 HydrophobicContact CD1-CD1 3.75Å; F21-I25 HydrophobicContact CE1-CD1 3.21Å; F21-I25 HydrophobicContact CE1-CG1 4.33Å; F21-I25 HydrophobicContact CE2-CD1 4.18Å; F21-I25 HydrophobicContact CG-CD1 4.44Å; F21-I25 HydrophobicContact CZ-CD1 3.47Å; F21-I25 VanDerWaalsContact CZ-CD1 3.47Å; F21-I25 HydrophobicContact CZ-CG1 4.34Å; F21-I25 PolarHBondContact O-N 3.43Å; F21-L112 HydrophobicContact CD2-CD2 4.48Å
22L97.8Very high94.8Very high65 Ų6541.2 Ų41.234%0.3422%0.222SC..Hα-helixtrans-62.5-38.8175.1-68.8174.6000112.3T18 F19 S26 F183T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.15Å; F19-L22 HydrophobicContact CD1-CD1 4.4Å; F19-L22 PolarHBondContact O-N 2.89Å; L22-S26 VanDerWaalsContact O-CB 3.3Å; L22-S26 WeakPolarHBondContact O-CB 3.38Å; L22-S26 PolarHBondContact O-N 3.27Å; L22-S26 PolarHBondContact O-OG 3.48Å; L22-F183 HydrophobicContact CB-CD2 3.77Å; L22-F183 HydrophobicContact CB-CE2 3.97Å; L22-F183 HydrophobicContact CB-CG 4.15Å
23A97.7Very high95.2Very high0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-62.3-45.8174.400000111.2F19 S20 F21 S26 N27 F183F19-A23 WeakPolarHBondContact O-CB 3.28Å; F19-A23 PolarHBondContact O-N 3.21Å; S20-A23 PolarHBondContact O-N 3.42Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.17Å; A23-S26 PolarHBondContact O-N 3.34Å; A23-N27 VanDerWaalsContact O-CB 3.23Å; A23-N27 WeakPolarHBondContact O-CB 3.42Å; A23-N27 PolarHBondContact O-N 3.18Å; A23-F183 HydrophobicContact CB-CB 3.8Å
24A97.6Very high95.6Very high3 Ų340.4 Ų40.43%0.02522%0.22CC..Hα-helixtrans-63.8-45.9179.700000112.6S20 F21 N27 I28 N108 L109 L112S20-A24 WeakPolarHBondContact O-CB 3.39Å; S20-A24 PolarHBondContact O-N 3.42Å; F21-A24 PolarHBondContact O-N 3.44Å; A24-N27 PolarHBondContact O-N 2.8Å; A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.03Å; A24-I28 PolarHBondContact O-N 3.19Å; A24-N108 WeakPolarHBondContact CA-OD1 3.23Å; A24-N108 WeakPolarHBondContact CB-OD1 3.26Å; A24-N108 PolarHBondContact N-OD1 2.89Å; A24-L109 HydrophobicContact CB-CD2 4.2Å; A24-L112 HydrophobicContact CB-CD2 3.68Å
25I97.8Very high95.9Very high68 Ų6839.6 Ų39.635%0.34921%0.208SC..Hα-helixtrans-60.5-49.6175.9-71.4174.2000110.3F21 N27 I28 I29F21-I25 HydrophobicContact CD1-CD1 3.75Å; F21-I25 HydrophobicContact CE1-CD1 3.21Å; F21-I25 HydrophobicContact CE1-CG1 4.33Å; F21-I25 HydrophobicContact CE2-CD1 4.18Å; F21-I25 HydrophobicContact CG-CD1 4.44Å; F21-I25 HydrophobicContact CZ-CD1 3.47Å; F21-I25 VanDerWaalsContact CZ-CD1 3.47Å; F21-I25 HydrophobicContact CZ-CG1 4.34Å; F21-I25 PolarHBondContact O-N 3.43Å; I25-N27 VanDerWaalsContact C-N 3.27Å; I25-N27 PolarHBondContact O-N 3.15Å; I25-I28 PolarHBondContact O-N 3.24Å; I25-I29 HydrophobicContact CG2-CD1 3.59Å; I25-I29 HydrophobicContact CG2-CG1 4.3Å; I25-I29 WeakPolarHBondContact O-CB 3.24Å; I25-I29 VanDerWaalsContact O-CG1 3.24Å; I25-I29 WeakPolarHBondContact O-CG1 3.44Å; I25-I29 PolarHBondContact O-N 3.21Å
26S97.7Very high96.2Very high8 Ų837.3 Ų37.36%0.05620%0.196CC..Hα-helixtrans-60.4-39.9179.7-580000111.5L22 A23 I29 G30L22-S26 VanDerWaalsContact O-CB 3.3Å; L22-S26 WeakPolarHBondContact O-CB 3.38Å; L22-S26 PolarHBondContact O-N 3.27Å; L22-S26 PolarHBondContact O-OG 3.48Å; A23-S26 PolarHBondContact O-N 3.34Å; S26-I29 PolarHBondContact O-N 3.29Å; S26-G30 PolarHBondContact O-N 3.04Å
27N97.7Very high96.3Very high6 Ų637.4 Ų37.43%0.03220%0.197CC..Hα-helixtrans-65.3-46.5177.6-167.814.6000112A23 A24 I25 I29 G30 F31 L105 F145 A180A23-N27 VanDerWaalsContact O-CB 3.23Å; A23-N27 WeakPolarHBondContact O-CB 3.42Å; A23-N27 PolarHBondContact O-N 3.18Å; A24-N27 PolarHBondContact O-N 2.8Å; I25-N27 VanDerWaalsContact C-N 3.27Å; I25-N27 PolarHBondContact O-N 3.15Å; N27-I29 VanDerWaalsContact C-N 3.33Å; N27-I29 PolarHBondContact O-N 2.98Å; N27-G30 PolarHBondContact O-N 3.27Å; N27-F31 WeakPolarHBondContact O-CB 3.38Å; N27-F31 PolarHBondContact O-N 3.31Å; N27-L105 HydrophobicContact CB-CD1 4.49Å; N27-L105 VanDerWaalsContact ND2-CA 3.33Å; N27-L105 WeakPolarHBondContact ND2-CA 3.31Å; N27-F145 HydrophobicContact CB-CE1 4.45Å; N27-F145 HydrophobicContact CB-CZ 4.04Å; N27-F145 WeakPolarHBondContact ND2-CZ 3.25Å; N27-F145 WeakPolarHBondContact OD1-CE1 3.22Å; N27-A180 HydrophobicContact CB-CB 4.03Å
28I97.8Very high96.3Very high76 Ų7637.7 Ų37.739%0.3920%0.199SC..Hα-helixtrans-59.8-45.8176.6-68.5163.9000110.5A24 I25 F31 V32 L105 L109A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.03Å; A24-I28 PolarHBondContact O-N 3.19Å; I25-I28 PolarHBondContact O-N 3.24Å; I28-F31 PolarHBondContact O-N 2.88Å; I28-V32 HydrophobicContact CG2-CG2 4.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.93Å; I28-L105 HydrophobicContact CG1-CD1 3.94Å; I28-L109 HydrophobicContact CD1-CD2 4.14Å
29I97.3Very high96.1Very high56 Ų5634.7 Ų34.729%0.28718%0.181SC..Hα-helixtrans-60.2-48.6178.8-69.5172.1000110.3I25 S26 N27 F31 S33 W172 F176I25-I29 HydrophobicContact CG2-CD1 3.59Å; I25-I29 HydrophobicContact CG2-CG1 4.3Å; I25-I29 WeakPolarHBondContact O-CB 3.24Å; I25-I29 VanDerWaalsContact O-CG1 3.24Å; I25-I29 WeakPolarHBondContact O-CG1 3.44Å; I25-I29 PolarHBondContact O-N 3.21Å; S26-I29 PolarHBondContact O-N 3.29Å; N27-I29 VanDerWaalsContact C-N 3.33Å; N27-I29 PolarHBondContact O-N 2.98Å; I29-F31 VanDerWaalsContact C-N 3.33Å; I29-F31 PolarHBondContact O-N 3.24Å; I29-S33 WeakPolarHBondContact O-CB 3.34Å; I29-S33 PolarHBondContact O-N 3.18Å; I29-S33 VanDerWaalsContact O-N 3.1Å; I29-W172 HydrophobicContact CG2-CE3 4.36Å; I29-W172 HydrophobicContact CG2-CZ3 3.59Å; I29-F176 HydrophobicContact CB-CD1 4.26Å; I29-F176 HydrophobicContact CB-CG 4.33Å; I29-F176 HydrophobicContact CD1-CD1 4.35Å; I29-F176 HydrophobicContact CD1-CE1 3.99Å; I29-F176 HydrophobicContact CD1-CZ 4.46Å; I29-F176 HydrophobicContact CG2-CB 4.34Å; I29-F176 HydrophobicContact CG2-CD1 3.99Å; I29-F176 HydrophobicContact CG2-CD2 3.77Å; I29-F176 HydrophobicContact CG2-CE1 4.19Å; I29-F176 HydrophobicContact CG2-CE2 3.99Å; I29-F176 HydrophobicContact CG2-CG 3.77Å; I29-F176 HydrophobicContact CG2-CZ 4.18Å
30G95.7Very high95.5Very high1 Ų139.4 Ų39.41%0.0120%0.201CC..Hα-helixtrans-61.3-40.8176.300000112.5S26 N27 W36S26-G30 PolarHBondContact O-N 3.04Å; N27-G30 PolarHBondContact O-N 3.27Å; G30-W36 PolarHBondContact O-NE1 2.71Å
31F96.7Very high94.5Very high34 Ų3441.5 Ų41.515%0.14922%0.216CC..Hα-helixtrans-68.4-43-176.1-176.1-93.6000113.6N27 I28 I29 L52 W53 I102 L105N27-F31 WeakPolarHBondContact O-CB 3.38Å; N27-F31 PolarHBondContact O-N 3.31Å; I28-F31 PolarHBondContact O-N 2.88Å; I29-F31 VanDerWaalsContact C-N 3.33Å; I29-F31 PolarHBondContact O-N 3.24Å; F31-L52 HydrophobicContact CD2-CD2 3.88Å; F31-L52 HydrophobicContact CE2-CD2 4.04Å; F31-W53 AromaticContact CD1-NE1 3.85Å; F31-W53 HydrophobicContact CE1-CZ2 4.3Å; F31-W53 AromaticContact CE1-NE1 3.46Å; F31-W53 AromaticContact CE2-CE2 3.99Å; F31-W53 AromaticContact CE2-CZ2 3.58Å; F31-W53 HydrophobicContact CE2-CZ2 3.58Å; F31-W53 AromaticContact CE2-NE1 3.77Å; F31-W53 AromaticContact CZ-CE2 3.64Å; F31-W53 AromaticContact CZ-CZ2 3.4Å; F31-W53 HydrophobicContact CZ-CZ2 3.4Å; F31-W53 VanDerWaalsContact CZ-CZ2 3.4Å; F31-W53 AromaticContact CZ-NE1 3.42Å; F31-W53 PolarHBondContact O-NE1 3.48Å; F31-I102 HydrophobicContact CE2-CG1 3.84Å; F31-I102 HydrophobicContact CZ-CG1 3.96Å; F31-L105 HydrophobicContact CD1-CD2 3.78Å; F31-L105 HydrophobicContact CD2-CD2 4.06Å; F31-L105 HydrophobicContact CE1-CD2 3.87Å; F31-L105 HydrophobicContact CE2-CD2 4.13Å; F31-L105 HydrophobicContact CG-CD2 3.88Å; F31-L105 HydrophobicContact CZ-CD2 4.04Å
32V96.2Very high93Very high103 Ų10344.6 Ų44.662%0.62423%0.232SC*.Hα-helixtrans-87.6-24.2-175.7-179.40000112I28I28-V32 HydrophobicContact CG2-CG2 4.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.93Å
33S94.6Very high91.2Very high11 Ų1146.1 Ų46.18%0.07725%0.248CC..  trans-74.3135.9-169.9176.30000114.1I29 F35 W172 S173I29-S33 WeakPolarHBondContact O-CB 3.34Å; I29-S33 PolarHBondContact O-N 3.18Å; I29-S33 VanDerWaalsContact O-N 3.1Å; S33-F35 PolarHBondContact O-N 2.99Å; S33-W172 WeakPolarHBondContact OG-CH2 3.32Å; S33-W172 WeakPolarHBondContact OG-CZ2 3.38Å; S33-W172 WeakPolarHBondContact OG-CZ3 3.02Å; S33-S173 WeakPolarHBondContact CB-OG 3.42Å; S33-S173 PolarHBondContact OG-OG 3.4Å
34P94.1Very high89.6Confident28 Ų2846.8 Ų46.818%0.18225%0.251CS..SBendtrans-83.118.1-178.834.8-36.3000114.8L50 G51 E54P34-L50 CarbonylContact O-C 3.34Å; P34-G51 PolarHBondContact O-N 2.98Å; P34-E54 HydrophobicContact CB-CB 4.32Å
35F95.2Very high88.6Confident52 Ų5251.8 Ų51.823%0.22828%0.277CS..  trans-121.452.9-172.6-59-91.5000112.7S33 V38 S171 W172 S173S33-F35 PolarHBondContact O-N 2.99Å; F35-V38 HydrophobicContact CB-CG2 4.18Å; F35-V38 HydrophobicContact CD1-CG2 3.81Å; F35-V38 HydrophobicContact CG-CG2 4.49Å; F35-S171 CarbonylContact O-C 3.51Å; F35-S171 WeakPolarHBondContact O-CB 3.34Å; F35-W172 HydrophobicContact CB-CD2 4.32Å; F35-W172 HydrophobicContact CB-CG 4.46Å; F35-W172 HydrophobicContact CB-CZ2 4.12Å; F35-W172 AromaticContact CD1-NE1 3.9Å; F35-W172 AromaticContact CD2-CE2 3.6Å; F35-W172 HydrophobicContact CD2-CH2 4.32Å; F35-W172 AromaticContact CD2-CZ2 3.26Å; F35-W172 HydrophobicContact CD2-CZ2 3.26Å; F35-W172 AromaticContact CD2-NE1 3.58Å; F35-W172 AromaticContact CE2-CZ2 3.83Å; F35-W172 HydrophobicContact CE2-CZ2 3.83Å; F35-W172 AromaticContact CG-CE2 3.77Å; F35-W172 AromaticContact CG-CZ2 3.94Å; F35-W172 HydrophobicContact CG-CZ2 3.94Å; F35-W172 AromaticContact CG-NE1 3.31Å; F35-W172 VanDerWaalsContact CG-NE1 3.31Å; F35-S173 WeakPolarHBondContact CA-OG 3.24Å; F35-S173 PolarHBondContact N-OG 3.16Å; F35-S173 VanDerWaalsContact O-CB 3.25Å; F35-S173 WeakPolarHBondContact O-CB 3.49Å; F35-S173 PolarHBondContact O-N 3.34Å; F35-S173 PolarHBondContact O-OG 3.11Å
36W95.8Very high88Confident4 Ų448.7 Ų48.72%0.01526%0.262CS..SBendtrans-78.1-46.3171.2-78.566.4000111.4G30 L50 V148 M152 L170 S171 F174 A177G30-W36 PolarHBondContact O-NE1 2.71Å; W36-L50 WeakPolarHBondContact CA-O 3.45Å; W36-L50 VanDerWaalsContact CB-O 3.31Å; W36-L50 WeakPolarHBondContact CB-O 3.48Å; W36-L50 PolarHBondContact N-O 2.65Å; W36-V148 HydrophobicContact CH2-CG1 3.92Å; W36-V148 HydrophobicContact CZ3-CG1 4.14Å; W36-M152 HydrophobicContact CB-CE 3.83Å; W36-M152 HydrophobicContact CD2-CE 4.47Å; W36-M152 HydrophobicContact CE3-CE 3.88Å; W36-M152 HydrophobicContact CE3-CG 3.9Å; W36-M152 HydrophobicContact CZ3-CB 4.46Å; W36-M152 HydrophobicContact CZ3-CG 4.1Å; W36-L170 WeakPolarHBondContact O-CA 3.43Å; W36-S171 PolarHBondContact O-N 3.19Å; W36-F174 HydrophobicContact CE3-CB 4.23Å; W36-F174 HydrophobicContact CE3-CD2 4.14Å; W36-F174 HydrophobicContact CZ3-CD2 4.04Å; W36-A177 HydrophobicContact CH2-CB 3.87Å; W36-A177 HydrophobicContact CZ2-CB 4.36Å; W36-A177 HydrophobicContact CZ3-CB 4.46Å
37I94Very high87.6Confident2 Ų248.7 Ų48.71%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-125.8134.9173.8-55.2179.1000107.8F47 R49 L50 M152 W161 L162 N168 M169I37-F47 HydrophobicContact CB-CZ 4.37Å; I37-F47 HydrophobicContact CG2-CE1 3.98Å; I37-F47 HydrophobicContact CG2-CZ 4.18Å; I37-R49 CarbonylContact O-C 3.53Å; I37-R49 VanDerWaalsContact O-CA 3.26Å; I37-R49 WeakPolarHBondContact O-CA 3.49Å; I37-L50 HydrophobicContact CB-CB 4.31Å; I37-L50 HydrophobicContact CD1-CD2 4.27Å; I37-L50 HydrophobicContact CG1-CD2 4.38Å; I37-L50 PolarHBondContact N-O 3.38Å; I37-L50 PolarHBondContact O-N 3.12Å; I37-M152 HydrophobicContact CD1-CE 3.48Å; I37-M152 VanDerWaalsContact CD1-CE 3.48Å; I37-M152 HydrophobicContact CD1-SD 4.41Å; I37-M152 HydrophobicContact CG1-CE 3.49Å; I37-M152 VanDerWaalsContact CG1-CE 3.49Å; I37-W161 HydrophobicContact CD1-CH2 4.42Å; I37-W161 HydrophobicContact CD1-CZ3 3.81Å; I37-L162 HydrophobicContact CD1-CD1 3.73Å; I37-L162 HydrophobicContact CG2-CD1 4.3Å; I37-N168 HydrophobicContact CG2-CB 3.8Å; I37-M169 CarbonylContact C-O 3.57Å; I37-M169 WeakPolarHBondContact CA-O 3.26Å
38V93.2Very high87.3Confident39 Ų3950.2 Ų50.224%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-132.7140.6178.81790000108.7F35 R49 M169 S171F35-V38 HydrophobicContact CB-CG2 4.18Å; F35-V38 HydrophobicContact CD1-CG2 3.81Å; F35-V38 HydrophobicContact CG-CG2 4.49Å; V38-R49 HydrophobicContact CG2-CB 4.11Å; V38-M169 PolarHBondContact N-O 2.95Å; V38-M169 PolarHBondContact O-N 3.39Å; V38-S171 VanDerWaalsContact CG2-CB 3.41Å
39S90.5Very high87.1Confident9 Ų950.3 Ų50.36%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-75.3138.5173.275.10000110.2S41 F47 Q48 L167S39-S41 VanDerWaalsContact C-N 3.34Å; S39-S41 PolarHBondContact O-N 2.93Å; S39-F47 VanDerWaalsContact CB-O 3.28Å; S39-F47 WeakPolarHBondContact CB-O 3.38Å; S39-F47 PolarHBondContact OG-O 3.45Å; S39-Q48 PolarHBondContact N-O 2.96Å; S39-Q48 PolarHBondContact OG-O 3.5Å; S39-Q48 PolarHBondContact OG-OE1 3.34Å; S39-L167 CarbonylContact C-O 3.57Å
40K85.3Confident86.9Confident148 Ų14847.6 Ų47.664%0.64325%0.25SC*.SBendtrans-69.2-32.4-174.6-168.1-167.2-168.3165.10112.6L167 M169K40-L167 WeakPolarHBondContact CB-O 3.47Å; K40-L167 PolarHBondContact N-O 2.97Å; K40-M169 HydrophobicContact CB-CE 3.94Å; K40-M169 HydrophobicContact CB-SD 4.47Å; K40-M169 HydrophobicContact CD-CE 3.32Å; K40-M169 VanDerWaalsContact CE-CE 3.49Å; K40-M169 HydrophobicContact CG-CE 3.5Å; K40-M169 HydrophobicContact CG-SD 4.2Å
41S75.4Confident86.9Confident44 Ų4447.6 Ų47.631%0.30825%0.249SC..  trans-107117.3-176.2-156.20000109.3S39 S43 N44S39-S41 VanDerWaalsContact C-N 3.34Å; S39-S41 PolarHBondContact O-N 2.93Å; S41-S43 PolarHBondContact O-N 2.82Å; S41-S43 VanDerWaalsContact O-N 3.14Å; S41-S43 PolarHBondContact OG-OG 3.09Å; S41-N44 WeakPolarHBondContact CB-ND2 3.27Å; S41-N44 WeakPolarHBondContact O-CB 3.27Å; S41-N44 PolarHBondContact O-N 2.87Å; S41-N44 PolarHBondContact O-ND2 2.75Å
42E65.8Low86.8Confident180 Ų18046 Ų4684%0.84124%0.242SC*.THydrogen-bonded Turntrans-58.7-23.7171.7-62.4-173159.400111.5N44E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 3.24Å
43S60.1Low86.8Confident97 Ų9743.4 Ų43.468%0.67822%0.221SC*.THydrogen-bonded Turntrans-80.34.2177.273.10000114.8S41 L45S41-S43 PolarHBondContact O-N 2.82Å; S41-S43 VanDerWaalsContact O-N 3.14Å; S41-S43 PolarHBondContact OG-OG 3.09Å; S43-L45 PolarHBondContact O-N 3.15Å; S43-L45 VanDerWaalsContact O-N 3.12Å
44N63.9Low86.9Confident14 Ų1446 Ų468%0.07523%0.232CC..  trans-75.7102.6178-79.1-36.8000110.1S41 E42 G46 R164 L167S41-N44 WeakPolarHBondContact CB-ND2 3.27Å; S41-N44 WeakPolarHBondContact O-CB 3.27Å; S41-N44 PolarHBondContact O-N 2.87Å; S41-N44 PolarHBondContact O-ND2 2.75Å; E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 3.24Å; N44-G46 PolarHBondContact O-N 3.47Å; N44-G46 VanDerWaalsContact O-N 3.13Å; N44-R164 PolarHBondContact OD1-NH1 3.2Å; N44-R164 VanDerWaalsContact OD1-NH1 3.07Å; N44-L167 WeakPolarHBondContact OD1-CD1 3.42Å
45L74.8Confident86.9Confident108 Ų10844.7 Ų44.757%0.56522%0.223SC*.SBendtrans-55.3117.1161.2-67.9163.4000108.5S43 Q59 R164S43-L45 PolarHBondContact O-N 3.15Å; S43-L45 VanDerWaalsContact O-N 3.12Å; L45-Q59 HydrophobicContact CD2-CB 4.37Å; L45-R164 PolarHBondContact O-NH2 3.36Å
46G85.3Confident86.8Confident3 Ų342.4 Ų42.43%0.03121%0.214CC..EExtended strand (participates in β ladder)trans126.9-118.2-179.700000113.9N44 F57 E58N44-G46 PolarHBondContact O-N 3.47Å; N44-G46 VanDerWaalsContact O-N 3.13Å; G46-F57 CarbonylContact O-C 3.52Å; G46-F57 WeakPolarHBondContact O-CA 3.31Å; G46-E58 WeakPolarHBondContact CA-O 3.39Å; G46-E58 PolarHBondContact N-O 3.09Å; G46-E58 PolarHBondContact O-N 3.43Å
47F90.3Very high86.6Confident8 Ų842.4 Ų42.44%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-77.9127.2-174.7175.6-101.4000112.3I37 S39 L50 V55 F57 L162 P163 N168I37-F47 HydrophobicContact CB-CZ 4.37Å; I37-F47 HydrophobicContact CG2-CE1 3.98Å; I37-F47 HydrophobicContact CG2-CZ 4.18Å; S39-F47 VanDerWaalsContact CB-O 3.28Å; S39-F47 WeakPolarHBondContact CB-O 3.38Å; S39-F47 PolarHBondContact OG-O 3.45Å; F47-L50 HydrophobicContact CE2-CB 3.67Å; F47-L50 HydrophobicContact CE2-CD1 4.46Å; F47-L50 HydrophobicContact CZ-CB 3.53Å; F47-V55 HydrophobicContact CD2-CG1 4.42Å; F47-V55 HydrophobicContact CE2-CG1 4.1Å; F47-F57 HydrophobicContact CB-CD1 4.34Å; F47-F57 HydrophobicContact CB-CE1 4.2Å; F47-F57 HydrophobicContact CD2-CD1 4.32Å; F47-F57 AromaticContact CD2-CE1 3.78Å; F47-F57 HydrophobicContact CD2-CE1 3.78Å; F47-F57 HydrophobicContact CD2-CZ 4.46Å; F47-L162 HydrophobicContact CD2-CD2 3.92Å; F47-L162 HydrophobicContact CE2-CD2 3.79Å; F47-L162 HydrophobicContact CG-CD2 4.42Å; F47-L162 HydrophobicContact CZ-CD1 4.24Å; F47-L162 HydrophobicContact CZ-CD2 4.19Å; F47-P163 HydrophobicContact CB-CG 3.71Å; F47-N168 WeakPolarHBondContact CD1-OD1 3.26Å
48Q91.9Very high86.5Confident38 Ų3846.2 Ų46.218%0.17823%0.232CC..EExtended strand (participates in β ladder)trans-105.4-59.9178.8-68.7-65.31.700112.4S39 C56 E58S39-Q48 PolarHBondContact N-O 2.96Å; S39-Q48 PolarHBondContact OG-O 3.5Å; S39-Q48 PolarHBondContact OG-OE1 3.34Å; Q48-C56 HydrophobicContact CB-CB 4.2Å; Q48-C56 PolarHBondContact N-O 2.91Å; Q48-E58 HydrophobicContact CG-CB 3.9Å; Q48-E58 PolarHBondContact NE2-OE2 3.36Å
49R93Very high86.3Confident77 Ų7749.7 Ų49.729%0.29125%0.246SC..EExtended strand (participates in β ladder)trans-153.8152.6-179.660.8179.9-177.6-146.5-3112.1I37 V38 C56 C74I37-R49 CarbonylContact O-C 3.53Å; I37-R49 VanDerWaalsContact O-CA 3.26Å; I37-R49 WeakPolarHBondContact O-CA 3.49Å; V38-R49 HydrophobicContact CG2-CB 4.11Å; R49-C56 HydrophobicContact CG-CB 3.71Å; R49-C56 VanDerWaalsContact CG-SG 3.56Å; R49-C56 PolarHBondContact N-O 2.97Å; R49-C56 PolarHBondContact NE-SG 2.87Å; R49-C56 PolarHBondContact O-N 3.34Å; R49-C74 PolarHBondContact NH2-SG 3.31Å
50L94.1Very high86.2Confident0 Ų050.1 Ų50.10%025%0.246CC..EExtended strand (participates in β ladder)trans-130126.5176.1-179.6136.6000109.2P34 W36 I37 F47 V55 L89 F94 M152 W161 L162P34-L50 CarbonylContact O-C 3.34Å; W36-L50 WeakPolarHBondContact CA-O 3.45Å; W36-L50 VanDerWaalsContact CB-O 3.31Å; W36-L50 WeakPolarHBondContact CB-O 3.48Å; W36-L50 PolarHBondContact N-O 2.65Å; I37-L50 HydrophobicContact CB-CB 4.31Å; I37-L50 HydrophobicContact CD1-CD2 4.27Å; I37-L50 HydrophobicContact CG1-CD2 4.38Å; I37-L50 PolarHBondContact N-O 3.38Å; I37-L50 PolarHBondContact O-N 3.12Å; F47-L50 HydrophobicContact CE2-CB 3.67Å; F47-L50 HydrophobicContact CE2-CD1 4.46Å; F47-L50 HydrophobicContact CZ-CB 3.53Å; L50-V55 HydrophobicContact CB-CG2 4.23Å; L50-V55 HydrophobicContact CD1-CG2 3.66Å; L50-V55 HydrophobicContact CG-CG2 3.79Å; L50-L89 HydrophobicContact CD1-CD1 4.26Å; L50-F94 HydrophobicContact CD2-CE2 3.95Å; L50-F94 HydrophobicContact CD2-CZ 3.77Å; L50-M152 HydrophobicContact CD2-CE 4.15Å; L50-W161 HydrophobicContact CD1-CH2 4Å; L50-W161 HydrophobicContact CD1-CZ2 4.01Å; L50-W161 HydrophobicContact CD2-CH2 4.02Å; L50-L162 HydrophobicContact CD1-CD2 4.38Å
51G95.5Very high86.4Confident0 Ų047.6 Ų47.60%024%0.239CC..  trans-98.4-174.1162.900000112P34 W53 E54P34-G51 PolarHBondContact O-N 2.98Å; G51-W53 PolarHBondContact O-N 2.86Å; G51-E54 WeakPolarHBondContact CA-O 3.45Å; G51-E54 PolarHBondContact N-O 3Å
52L95Very high86.9Confident1 Ų146 Ų461%0.00523%0.227CC..SBendtrans-67.8-29171.6-166.861.5000112.4F31 I77 F94 V97 Q98F31-L52 HydrophobicContact CD2-CD2 3.88Å; F31-L52 HydrophobicContact CE2-CD2 4.04Å; L52-I77 WeakPolarHBondContact O-CD1 3.27Å; L52-F94 HydrophobicContact CD1-CE2 4.3Å; L52-F94 HydrophobicContact CD1-CZ 4.19Å; L52-V97 HydrophobicContact CD1-CG1 3.91Å; L52-Q98 HydrophobicContact CD1-CB 4.29Å; L52-Q98 HydrophobicContact CD1-CG 3.53Å; L52-Q98 HydrophobicContact CG-CG 3.9Å
53W95.9Very high87.8Confident49 Ų4942.5 Ų42.519%0.18622%0.219CC..SBendtrans-125.3-24.3-170.2-57113.8000114.4F31 G51 Y76 I77 Q98 I102F31-W53 AromaticContact CD1-NE1 3.85Å; F31-W53 HydrophobicContact CE1-CZ2 4.3Å; F31-W53 AromaticContact CE1-NE1 3.46Å; F31-W53 AromaticContact CE2-CE2 3.99Å; F31-W53 AromaticContact CE2-CZ2 3.58Å; F31-W53 HydrophobicContact CE2-CZ2 3.58Å; F31-W53 AromaticContact CE2-NE1 3.77Å; F31-W53 AromaticContact CZ-CE2 3.64Å; F31-W53 AromaticContact CZ-CZ2 3.4Å; F31-W53 HydrophobicContact CZ-CZ2 3.4Å; F31-W53 VanDerWaalsContact CZ-CZ2 3.4Å; F31-W53 AromaticContact CZ-NE1 3.42Å; F31-W53 PolarHBondContact O-NE1 3.48Å; G51-W53 PolarHBondContact O-N 2.86Å; W53-Y76 HydrophobicContact CB-CD2 4.08Å; W53-Y76 HydrophobicContact CB-CE2 3.9Å; W53-Y76 HydrophobicContact CE3-CE2 4.08Å; W53-Y76 CarbonylContact O-C 3.58Å; W53-Y76 WeakPolarHBondContact O-CA 3.3Å; W53-Y76 WeakPolarHBondContact O-CD2 3.43Å; W53-I77 WeakPolarHBondContact O-CG1 3.44Å; W53-I77 PolarHBondContact O-N 3.43Å; W53-Q98 HydrophobicContact CH2-CB 3.89Å; W53-Q98 HydrophobicContact CH2-CG 4.14Å; W53-Q98 HydrophobicContact CZ3-CB 4.22Å; W53-Q98 HydrophobicContact CZ3-CG 4.12Å; W53-I102 HydrophobicContact CH2-CD1 3.68Å; W53-I102 HydrophobicContact CH2-CG1 4.05Å; W53-I102 HydrophobicContact CZ2-CD1 4.12Å; W53-I102 HydrophobicContact CZ2-CG1 3.97Å
54E95.4Very high88.8Confident65 Ų6543.5 Ų43.530%0.30421%0.213SC..EExtended strand (participates in β ladder)trans-125.4140.4-174.8-178.5-178.2112.800109.8P34 G51 C74 W75P34-E54 HydrophobicContact CB-CB 4.32Å; G51-E54 WeakPolarHBondContact CA-O 3.45Å; G51-E54 PolarHBondContact N-O 3Å; E54-C74 HydrophobicContact CG-CB 4.21Å; E54-C74 WeakPolarHBondContact OE1-CB 3.29Å; E54-W75 WeakPolarHBondContact CA-O 3.28Å
55V93.9Very high89.5Confident0 Ų043.4 Ų43.40%021%0.213CC..EExtended strand (participates in β ladder)trans-130.1138.6174.4-179.10000109.6F47 L50 F57 W75 I77 Y82 L89F47-V55 HydrophobicContact CD2-CG1 4.42Å; F47-V55 HydrophobicContact CE2-CG1 4.1Å; L50-V55 HydrophobicContact CB-CG2 4.23Å; L50-V55 HydrophobicContact CD1-CG2 3.66Å; L50-V55 HydrophobicContact CG-CG2 3.79Å; V55-F57 HydrophobicContact CB-CE2 4.39Å; V55-F57 HydrophobicContact CG1-CD2 4.12Å; V55-F57 HydrophobicContact CG1-CE1 4.27Å; V55-F57 HydrophobicContact CG1-CE2 3.53Å; V55-F57 HydrophobicContact CG1-CZ 3.61Å; V55-W75 PolarHBondContact N-O 3.18Å; V55-W75 PolarHBondContact O-N 2.87Å; V55-I77 HydrophobicContact CG2-CD1 4.02Å; V55-I77 HydrophobicContact CG2-CG1 3.7Å; V55-Y82 HydrophobicContact CB-CE2 4.32Å; V55-Y82 PolarHBondContact O-OH 2.93Å; V55-L89 HydrophobicContact CB-CD1 4.47Å; V55-L89 HydrophobicContact CB-CD2 4.09Å; V55-L89 HydrophobicContact CG1-CD1 4.13Å; V55-L89 HydrophobicContact CG1-CD2 4.45Å; V55-L89 HydrophobicContact CG2-CD1 4.06Å; V55-L89 HydrophobicContact CG2-CD2 3.91Å; V55-L89 HydrophobicContact CG2-CG 4.2Å
56C93.9Very high89.6Confident5 Ų549.2 Ų49.23%0.03423%0.229CC..EExtended strand (participates in β ladder)trans-113.2128.4178.7-54.30000111.5Q48 R49 G73 C74Q48-C56 HydrophobicContact CB-CB 4.2Å; Q48-C56 PolarHBondContact N-O 2.91Å; R49-C56 HydrophobicContact CG-CB 3.71Å; R49-C56 VanDerWaalsContact CG-SG 3.56Å; R49-C56 PolarHBondContact N-O 2.97Å; R49-C56 PolarHBondContact NE-SG 2.87Å; R49-C56 PolarHBondContact O-N 3.34Å; C56-G73 VanDerWaalsContact CA-O 3.32Å; C56-G73 WeakPolarHBondContact CA-O 3.21Å; C56-C74 HydrophobicContact CB-CB 4.08Å; C56-C74 WeakPolarHBondContact CB-SG 3.31Å; C56-C74 WeakPolarHBondContact SG-CB 3.49Å; C56-C74 CovalentContact SG-SG 2.03Å; C56-C74 PolarHBondContact SG-SG 3.47Å
57F92.4Very high89.3Confident4 Ų453.8 Ų53.82%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-121.3152.2173-66.5-69.7000110.9G46 F47 V55 F60 Q72 G73 Y82 I85 W88 L89G46-F57 CarbonylContact O-C 3.52Å; G46-F57 WeakPolarHBondContact O-CA 3.31Å; F47-F57 HydrophobicContact CB-CD1 4.34Å; F47-F57 HydrophobicContact CB-CE1 4.2Å; F47-F57 HydrophobicContact CD2-CD1 4.32Å; F47-F57 AromaticContact CD2-CE1 3.78Å; F47-F57 HydrophobicContact CD2-CE1 3.78Å; F47-F57 HydrophobicContact CD2-CZ 4.46Å; V55-F57 HydrophobicContact CB-CE2 4.39Å; V55-F57 HydrophobicContact CG1-CD2 4.12Å; V55-F57 HydrophobicContact CG1-CE1 4.27Å; V55-F57 HydrophobicContact CG1-CE2 3.53Å; V55-F57 HydrophobicContact CG1-CZ 3.61Å; F57-F60 HydrophobicContact CB-CB 3.8Å; F57-F60 HydrophobicContact CD1-CB 3.66Å; F57-F60 AromaticContact CD1-CD1 3.78Å; F57-F60 HydrophobicContact CD1-CD1 3.78Å; F57-F60 HydrophobicContact CD1-CD2 4.48Å; F57-F60 AromaticContact CD1-CG 3.71Å; F57-F60 HydrophobicContact CD1-CG 3.71Å; F57-F60 AromaticContact CE1-CD1 3.81Å; F57-F60 HydrophobicContact CE1-CD1 3.81Å; F57-F60 HydrophobicContact CE1-CE1 4.19Å; F57-F60 HydrophobicContact CE1-CG 4.09Å; F57-F60 HydrophobicContact CG-CB 3.92Å; F57-F60 HydrophobicContact CG-CD1 4.25Å; F57-F60 HydrophobicContact CG-CG 4.32Å; F57-F60 HydrophobicContact CZ-CD1 4.32Å; F57-Q72 CarbonylContact O-C 3.58Å; F57-Q72 WeakPolarHBondContact O-CA 3.48Å; F57-G73 PolarHBondContact N-O 3.41Å; F57-G73 PolarHBondContact O-N 3.15Å; F57-Y82 AromaticContact CD2-CE1 3.78Å; F57-Y82 HydrophobicContact CD2-CE1 3.78Å; F57-Y82 AromaticContact CD2-CZ 3.7Å; F57-Y82 WeakPolarHBondContact CD2-OH 3.49Å; F57-Y82 HydrophobicContact CE2-CE1 4.13Å; F57-I85 HydrophobicContact CE2-CD1 4.02Å; F57-W88 HydrophobicContact CZ-CH2 4.44Å; F57-W88 HydrophobicContact CZ-CZ3 4.01Å; F57-L89 HydrophobicContact CE2-CD1 4.48Å; F57-L89 HydrophobicContact CE2-CD2 4.48Å; F57-L89 HydrophobicContact CZ-CD1 4.05Å
58E91.5Very high88.8Confident82 Ų8257.2 Ų57.238%0.38328%0.281SS..EExtended strand (participates in β ladder)trans-129.5104.4172.8-177166.8-168.400109.3G46 Q48 F60G46-E58 WeakPolarHBondContact CA-O 3.39Å; G46-E58 PolarHBondContact N-O 3.09Å; G46-E58 PolarHBondContact O-N 3.43Å; Q48-E58 HydrophobicContact CG-CB 3.9Å; Q48-E58 PolarHBondContact NE2-OE2 3.36Å; E58-F60 PolarHBondContact O-N 2.89Å
59Q88.8Confident88.6Confident111 Ų11159.4 Ų59.452%0.51929%0.29SS..EExtended strand (participates in β ladder)trans54.335.9-179.4-56.5-178.9-300113L45 Y71L45-Q59 HydrophobicContact CD2-CB 4.37Å; Q59-Y71 PolarHBondContact N-O 3.46Å
60F88.9Confident88.5Confident19 Ų1958.1 Ų58.18%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-78.8124178.9-178.6-114.5000110.3F57 E58 F62 A70 Y71 W88 P163F57-F60 HydrophobicContact CB-CB 3.8Å; F57-F60 HydrophobicContact CD1-CB 3.66Å; F57-F60 AromaticContact CD1-CD1 3.78Å; F57-F60 HydrophobicContact CD1-CD1 3.78Å; F57-F60 HydrophobicContact CD1-CD2 4.48Å; F57-F60 AromaticContact CD1-CG 3.71Å; F57-F60 HydrophobicContact CD1-CG 3.71Å; F57-F60 AromaticContact CE1-CD1 3.81Å; F57-F60 HydrophobicContact CE1-CD1 3.81Å; F57-F60 HydrophobicContact CE1-CE1 4.19Å; F57-F60 HydrophobicContact CE1-CG 4.09Å; F57-F60 HydrophobicContact CG-CB 3.92Å; F57-F60 HydrophobicContact CG-CD1 4.25Å; F57-F60 HydrophobicContact CG-CG 4.32Å; F57-F60 HydrophobicContact CZ-CD1 4.32Å; E58-F60 PolarHBondContact O-N 2.89Å; F60-F62 HydrophobicContact CE1-CB 4.02Å; F60-F62 HydrophobicContact CE1-CD2 4.02Å; F60-F62 HydrophobicContact CZ-CD2 4.1Å; F60-A70 CarbonylContact O-C 3.57Å; F60-A70 WeakPolarHBondContact O-CA 3.3Å; F60-Y71 HydrophobicContact CD1-CD2 4.28Å; F60-Y71 PolarHBondContact N-O 2.9Å; F60-Y71 VanDerWaalsContact N-O 3.11Å; F60-Y71 WeakPolarHBondContact O-CD2 3.38Å; F60-Y71 PolarHBondContact O-N 3.02Å; F60-W88 AromaticContact CE1-CH2 3.87Å; F60-W88 HydrophobicContact CE1-CH2 3.87Å; F60-W88 AromaticContact CE1-CZ3 3.9Å; F60-W88 HydrophobicContact CE1-CZ3 3.9Å; F60-W88 AromaticContact CZ-CH2 3.77Å; F60-W88 HydrophobicContact CZ-CH2 3.77Å; F60-W88 HydrophobicContact CZ-CZ2 4.42Å; F60-W88 HydrophobicContact CZ-CZ3 4.27Å; F60-P163 HydrophobicContact CE2-CB 4.19Å; F60-P163 HydrophobicContact CE2-CG 3.88Å; F60-P163 HydrophobicContact CZ-CG 4.33Å
61I88.7Confident88.3Confident95 Ų9558.1 Ų58.149%0.48730%0.296SS..EExtended strand (participates in β ladder)trans-108.3120.8171.9-58.8174.1000107.3A70I61-A70 HydrophobicContact CG1-CB 4.09Å
62F86.4Confident88.1Confident11 Ų1164 Ų645%0.04832%0.324CS..  trans-79.5123.5178.2-173-119.1000109.8F60 E64 D65 Y71 I85 F87 W88F60-F62 HydrophobicContact CE1-CB 4.02Å; F60-F62 HydrophobicContact CE1-CD2 4.02Å; F60-F62 HydrophobicContact CZ-CD2 4.1Å; F62-E64 VanDerWaalsContact C-N 3.26Å; F62-E64 HydrophobicContact CD1-CB 4.06Å; F62-E64 HydrophobicContact CE1-CB 3.59Å; F62-E64 HydrophobicContact CE1-CG 4.38Å; F62-E64 WeakPolarHBondContact CE1-OE2 3.49Å; F62-E64 VanDerWaalsContact CE2-OE2 3.28Å; F62-E64 WeakPolarHBondContact CE2-OE2 3.38Å; F62-E64 HydrophobicContact CZ-CB 4.15Å; F62-E64 HydrophobicContact CZ-CG 4.47Å; F62-E64 WeakPolarHBondContact CZ-OE2 3.29Å; F62-E64 PolarHBondContact O-N 3.3Å; F62-D65 HydrophobicContact CB-CB 4.09Å; F62-D65 HydrophobicContact CD1-CB 4.06Å; F62-D65 PolarHBondContact O-N 3Å; F62-D65 VanDerWaalsContact O-N 3.12Å; F62-Y71 HydrophobicContact CB-CE2 4.27Å; F62-I85 HydrophobicContact CB-CG2 3.78Å; F62-I85 HydrophobicContact CD1-CG2 3.64Å; F62-I85 HydrophobicContact CD2-CG2 4.43Å; F62-I85 HydrophobicContact CE1-CG2 4.28Å; F62-I85 HydrophobicContact CG-CG2 3.7Å; F62-F87 HydrophobicContact CE1-CZ 4.19Å; F62-F87 HydrophobicContact CZ-CZ 4.41Å; F62-W88 HydrophobicContact CD2-CD2 4.19Å; F62-W88 HydrophobicContact CD2-CE3 4.2Å; F62-W88 HydrophobicContact CD2-CZ3 4.42Å; F62-W88 HydrophobicContact CE2-CB 4.24Å; F62-W88 AromaticContact CE2-CD1 3.89Å; F62-W88 AromaticContact CE2-CD2 3.47Å; F62-W88 HydrophobicContact CE2-CD2 3.47Å; F62-W88 VanDerWaalsContact CE2-CD2 3.47Å; F62-W88 AromaticContact CE2-CE2 3.7Å; F62-W88 AromaticContact CE2-CE3 3.91Å; F62-W88 HydrophobicContact CE2-CE3 3.91Å; F62-W88 AromaticContact CE2-CG 3.61Å; F62-W88 HydrophobicContact CE2-CG 3.61Å; F62-W88 HydrophobicContact CE2-CZ2 4.29Å; F62-W88 HydrophobicContact CE2-CZ3 4.48Å; F62-W88 AromaticContact CE2-NE1 3.94Å; F62-W88 HydrophobicContact CZ-CB 3.86Å; F62-W88 HydrophobicContact CZ-CD2 4.04Å; F62-W88 AromaticContact CZ-CG 3.69Å; F62-W88 HydrophobicContact CZ-CG 3.69Å
63P83.5Confident88Confident106 Ų10665.5 Ų65.569%0.68834%0.339SS*.THydrogen-bonded Turntrans-60.5-33.5-173.1-23.332.9000114.1D65P63-D65 VanDerWaalsContact C-N 3.33Å
64E82Confident88Confident117 Ų11765.4 Ų65.455%0.54735%0.345SS..THydrogen-bonded Turntrans-87.70.3-178.2-59.569.9-155.500113.2F62 Y66F62-E64 VanDerWaalsContact C-N 3.26Å; F62-E64 HydrophobicContact CD1-CB 4.06Å; F62-E64 HydrophobicContact CE1-CB 3.59Å; F62-E64 HydrophobicContact CE1-CG 4.38Å; F62-E64 WeakPolarHBondContact CE1-OE2 3.49Å; F62-E64 VanDerWaalsContact CE2-OE2 3.28Å; F62-E64 WeakPolarHBondContact CE2-OE2 3.38Å; F62-E64 HydrophobicContact CZ-CB 4.15Å; F62-E64 HydrophobicContact CZ-CG 4.47Å; F62-E64 WeakPolarHBondContact CZ-OE2 3.29Å; F62-E64 PolarHBondContact O-N 3.3Å; E64-Y66 PolarHBondContact O-N 3.22Å
65D79.5Confident88Confident13 Ų1366.6 Ų66.67%0.0735%0.347CS..  trans-85.4111.7176.5-165.6-9.7000111.1F62 P63 V67 S68 Y71F62-D65 HydrophobicContact CB-CB 4.09Å; F62-D65 HydrophobicContact CD1-CB 4.06Å; F62-D65 PolarHBondContact O-N 3Å; F62-D65 VanDerWaalsContact O-N 3.12Å; P63-D65 VanDerWaalsContact C-N 3.33Å; D65-V67 PolarHBondContact O-N 2.73Å; D65-V67 VanDerWaalsContact O-N 3.11Å; D65-V67 PolarHBondContact OD1-N 2.99Å; D65-S68 PolarHBondContact O-N 3.02Å; D65-Y71 PolarHBondContact OD2-OH 3.07Å
66Y75.8Confident88Confident229 Ų22971.9 Ų71.990%0.89837%0.368SS*.THydrogen-bonded Turntrans-59-23.7177.1-54.6-78.9000113.4E64 S68E64-Y66 PolarHBondContact O-N 3.22Å; Y66-S68 VanDerWaalsContact C-N 3.31Å
67V78.4Confident88.1Confident99 Ų9971.6 Ų71.660%0.637%0.366SS*.THydrogen-bonded Turntrans-81.8-12.7-178.1-172.10000111.6D65 K69D65-V67 PolarHBondContact O-N 2.73Å; D65-V67 VanDerWaalsContact O-N 3.11Å; D65-V67 PolarHBondContact OD1-N 2.99Å; V67-K69 HydrophobicContact CG1-CB 4.39Å; V67-K69 PolarHBondContact O-N 3.31Å; V67-K69 VanDerWaalsContact O-N 3.08Å
68S80.4Confident88.1Confident81 Ų8174.6 Ų74.657%0.56638%0.377SS*.  trans48.734.2-177.1-62.90000113D65 Y66 A70D65-S68 PolarHBondContact O-N 3.02Å; Y66-S68 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.34Å
69K88Confident88.3Confident83 Ų8375.7 Ų75.736%0.36138%0.379SS..  trans-71.7128.6-179.7-170.9-177-175.7-172.40109.3V67 Y71 E81V67-K69 HydrophobicContact CG1-CB 4.39Å; V67-K69 PolarHBondContact O-N 3.31Å; V67-K69 VanDerWaalsContact O-N 3.08Å; K69-Y71 HydrophobicContact CD-CE1 4.46Å; K69-Y71 PolarHBondContact O-N 3.32Å; K69-E81 WeakPolarHBondContact CE-OE1 3.39Å; K69-E81 IonicContact NZ-OE1 2.64Å; K69-E81 PolarHBondContact NZ-OE1 2.84Å; K69-E81 IonicContact NZ-OE2 2.73Å; K69-E81 PolarHBondContact NZ-OE2 2.88Å
70A89.9Confident88.5Confident51 Ų5174.9 Ų74.942%0.42138%0.383SS..EExtended strand (participates in β ladder)trans-78.8111.7169.800000109.6F60 I61 S68F60-A70 CarbonylContact O-C 3.57Å; F60-A70 WeakPolarHBondContact O-CA 3.3Å; I61-A70 HydrophobicContact CG1-CB 4.09Å; S68-A70 PolarHBondContact O-N 3.34Å
71Y91Very high88.5Confident0 Ų076 Ų760%039%0.389CS..EExtended strand (participates in β ladder)trans-75.7127.3175.4-64.7-80.4000110Q59 F60 F62 D65 K69 E81 Y82 I85Q59-Y71 PolarHBondContact N-O 3.46Å; F60-Y71 HydrophobicContact CD1-CD2 4.28Å; F60-Y71 PolarHBondContact N-O 2.9Å; F60-Y71 VanDerWaalsContact N-O 3.11Å; F60-Y71 WeakPolarHBondContact O-CD2 3.38Å; F60-Y71 PolarHBondContact O-N 3.02Å; F62-Y71 HydrophobicContact CB-CE2 4.27Å; D65-Y71 PolarHBondContact OD2-OH 3.07Å; K69-Y71 HydrophobicContact CD-CE1 4.46Å; K69-Y71 PolarHBondContact O-N 3.32Å; Y71-E81 HydrophobicContact CD1-CG 4.49Å; Y71-E81 WeakPolarHBondContact CE1-O 3.34Å; Y71-Y82 AromaticContact CD1-CD1 3.66Å; Y71-Y82 HydrophobicContact CD1-CD1 3.66Å; Y71-Y82 AromaticContact CD1-CE1 3.81Å; Y71-Y82 HydrophobicContact CD1-CE1 3.81Å; Y71-Y82 HydrophobicContact CE1-CD1 4.05Å; Y71-Y82 HydrophobicContact CG-CE1 4.37Å; Y71-I85 HydrophobicContact CD1-CD1 4.09Å; Y71-I85 HydrophobicContact CD2-CD1 4.1Å; Y71-I85 HydrophobicContact CE1-CD1 4.01Å; Y71-I85 HydrophobicContact CE1-CG1 4.21Å; Y71-I85 HydrophobicContact CE2-CD1 4.06Å; Y71-I85 HydrophobicContact CE2-CG1 4.48Å; Y71-I85 HydrophobicContact CE2-CG2 3.68Å; Y71-I85 HydrophobicContact CG-CD1 4.13Å
72Q91.9Very high88.7Confident124 Ų12471.5 Ų71.558%0.57937%0.366SS*.EExtended strand (participates in β ladder)trans-138.4141-179-171.7172.97.400111.7F57 W75F57-Q72 CarbonylContact O-C 3.58Å; F57-Q72 WeakPolarHBondContact O-CA 3.48Å; Q72-W75 PolarHBondContact O-NE1 3.21Å
73G92.6Very high88.9Confident31 Ų3177.5 Ų77.532%0.3239%0.392SS..EExtended strand (participates in β ladder)trans94.5-175.1176.700000112.8C56 F57 Y82C56-G73 VanDerWaalsContact CA-O 3.32Å; C56-G73 WeakPolarHBondContact CA-O 3.21Å; F57-G73 PolarHBondContact N-O 3.41Å; F57-G73 PolarHBondContact O-N 3.15Å; G73-Y82 PolarHBondContact O-OH 2.83Å
74C94.7Very high89.2Confident48 Ų4879.3 Ų79.332%0.32439%0.386SS..EExtended strand (participates in β ladder)trans-107.7120.6179.6-64.80000108.9R49 E54 C56R49-C74 PolarHBondContact NH2-SG 3.31Å; E54-C74 HydrophobicContact CG-CB 4.21Å; E54-C74 WeakPolarHBondContact OE1-CB 3.29Å; C56-C74 HydrophobicContact CB-CB 4.08Å; C56-C74 WeakPolarHBondContact CB-SG 3.31Å; C56-C74 WeakPolarHBondContact SG-CB 3.49Å; C56-C74 CovalentContact SG-SG 2.03Å; C56-C74 PolarHBondContact SG-SG 3.47Å
75W95.8Very high89.6Confident90 Ų9073.8 Ų73.834%0.34136%0.36SS..EExtended strand (participates in β ladder)trans-133.4149.7179.9-5896.5000110.7E54 V55 Q72 Y79 E81 Y82E54-W75 WeakPolarHBondContact CA-O 3.28Å; V55-W75 PolarHBondContact N-O 3.18Å; V55-W75 PolarHBondContact O-N 2.87Å; Q72-W75 PolarHBondContact O-NE1 3.21Å; W75-Y79 HydrophobicContact CB-CD1 4.36Å; W75-Y79 AromaticContact CD2-CD1 3.89Å; W75-Y79 HydrophobicContact CD2-CD1 3.89Å; W75-Y79 HydrophobicContact CD2-CE1 4.09Å; W75-Y79 AromaticContact CE3-CD1 3.37Å; W75-Y79 HydrophobicContact CE3-CD1 3.37Å; W75-Y79 HydrophobicContact CE3-CD2 4.45Å; W75-Y79 AromaticContact CE3-CE1 3.33Å; W75-Y79 HydrophobicContact CE3-CE1 3.33Å; W75-Y79 HydrophobicContact CE3-CE2 4.41Å; W75-Y79 AromaticContact CE3-CG 3.98Å; W75-Y79 HydrophobicContact CE3-CG 3.98Å; W75-Y79 AromaticContact CE3-CZ 3.89Å; W75-Y79 HydrophobicContact CG-CD1 4.33Å; W75-Y79 HydrophobicContact CH2-CE1 4.11Å; W75-Y79 AromaticContact CZ3-CD1 3.93Å; W75-Y79 HydrophobicContact CZ3-CD1 3.93Å; W75-Y79 AromaticContact CZ3-CE1 3.34Å; W75-Y79 HydrophobicContact CZ3-CE1 3.34Å; W75-Y79 HydrophobicContact CZ3-CE2 4.38Å; W75-Y79 AromaticContact CZ3-CZ 3.61Å; W75-E81 HydrophobicContact CG-CB 4.32Å; W75-E81 HydrophobicContact CG-CG 4.32Å; W75-Y82 HydrophobicContact CB-CD2 4.14Å; W75-Y82 HydrophobicContact CB-CE2 3.57Å; W75-Y82 AromaticContact CD1-CZ 3.86Å; W75-Y82 HydrophobicContact CG-CE2 4.46Å
76Y94.9Very high90.2Very high110 Ų11076.9 Ų76.943%0.43137%0.371SS..EExtended strand (participates in β ladder)trans-57.3137.9167.9178.7-120.8000109.7W53 Y78 Y79W53-Y76 HydrophobicContact CB-CD2 4.08Å; W53-Y76 HydrophobicContact CB-CE2 3.9Å; W53-Y76 HydrophobicContact CE3-CE2 4.08Å; W53-Y76 CarbonylContact O-C 3.58Å; W53-Y76 WeakPolarHBondContact O-CA 3.3Å; W53-Y76 WeakPolarHBondContact O-CD2 3.43Å; Y76-Y78 AromaticContact CE1-CD2 3.73Å; Y76-Y78 HydrophobicContact CE1-CD2 3.73Å; Y76-Y78 HydrophobicContact CE1-CG 4.11Å; Y76-Y78 HydrophobicContact CE2-CD2 4.17Å; Y76-Y78 AromaticContact CZ-CD2 3.49Å; Y76-Y78 VanDerWaalsContact CZ-CD2 3.49Å; Y76-Y78 PolarHBondContact O-N 3.36Å; Y76-Y78 VanDerWaalsContact O-N 3.11Å; Y76-Y78 WeakPolarHBondContact OH-CD2 3.46Å; Y76-Y79 WeakPolarHBondContact O-CB 3.49Å; Y76-Y79 PolarHBondContact O-N 2.86Å
77I94.4Very high90.9Very high0 Ų073 Ų730%036%0.359CS..THydrogen-bonded Turntrans-59.2-32.4-171.9-66.8163.1000112.4L52 W53 V55 Y79 L89 N90 F94L52-I77 WeakPolarHBondContact O-CD1 3.27Å; W53-I77 WeakPolarHBondContact O-CG1 3.44Å; W53-I77 PolarHBondContact O-N 3.43Å; V55-I77 HydrophobicContact CG2-CD1 4.02Å; V55-I77 HydrophobicContact CG2-CG1 3.7Å; I77-Y79 VanDerWaalsContact C-N 3.35Å; I77-L89 HydrophobicContact CG1-CD2 4.21Å; I77-L89 HydrophobicContact CG2-CD2 4.01Å; I77-L89 HydrophobicContact CG2-CG 4.37Å; I77-N90 VanDerWaalsContact CG2-CG 3.5Å; I77-N90 WeakPolarHBondContact CG2-ND2 3.28Å; I77-F94 HydrophobicContact CD1-CE1 4.02Å
78Y93.4Very high91.5Very high66 Ų6670.1 Ų70.126%0.25934%0.337SS..THydrogen-bonded Turntrans-94.110.1178.1-53.4-92.3000113.6Y76 R86 N90 Y95 Q98Y76-Y78 AromaticContact CE1-CD2 3.73Å; Y76-Y78 HydrophobicContact CE1-CD2 3.73Å; Y76-Y78 HydrophobicContact CE1-CG 4.11Å; Y76-Y78 HydrophobicContact CE2-CD2 4.17Å; Y76-Y78 AromaticContact CZ-CD2 3.49Å; Y76-Y78 VanDerWaalsContact CZ-CD2 3.49Å; Y76-Y78 PolarHBondContact O-N 3.36Å; Y76-Y78 VanDerWaalsContact O-N 3.11Å; Y76-Y78 WeakPolarHBondContact OH-CD2 3.46Å; Y78-R86 VanDerWaalsContact C-NH2 3.26Å; Y78-R86 PolarHBondContact O-NH2 3.18Å; Y78-N90 VanDerWaalsContact CZ-ND2 3.3Å; Y78-N90 PolarHBondContact OH-ND2 3.25Å; Y78-Y95 WeakPolarHBondContact OH-CD2 3.11Å; Y78-Y95 WeakPolarHBondContact OH-CE2 3.33Å; Y78-Q98 PolarHBondContact OH-OE1 3.46Å; Y78-Q98 VanDerWaalsContact OH-OE1 3.11Å
79Y94.5Very high92.1Very high106 Ų10666.3 Ų66.342%0.41631%0.31SS..SBendtrans-64.9150.6172.4-161.6-108.4000110.5W75 Y76 I77 E81 Y82 R86W75-Y79 HydrophobicContact CB-CD1 4.36Å; W75-Y79 AromaticContact CD2-CD1 3.89Å; W75-Y79 HydrophobicContact CD2-CD1 3.89Å; W75-Y79 HydrophobicContact CD2-CE1 4.09Å; W75-Y79 AromaticContact CE3-CD1 3.37Å; W75-Y79 HydrophobicContact CE3-CD1 3.37Å; W75-Y79 HydrophobicContact CE3-CD2 4.45Å; W75-Y79 AromaticContact CE3-CE1 3.33Å; W75-Y79 HydrophobicContact CE3-CE1 3.33Å; W75-Y79 HydrophobicContact CE3-CE2 4.41Å; W75-Y79 AromaticContact CE3-CG 3.98Å; W75-Y79 HydrophobicContact CE3-CG 3.98Å; W75-Y79 AromaticContact CE3-CZ 3.89Å; W75-Y79 HydrophobicContact CG-CD1 4.33Å; W75-Y79 HydrophobicContact CH2-CE1 4.11Å; W75-Y79 AromaticContact CZ3-CD1 3.93Å; W75-Y79 HydrophobicContact CZ3-CD1 3.93Å; W75-Y79 AromaticContact CZ3-CE1 3.34Å; W75-Y79 HydrophobicContact CZ3-CE1 3.34Å; W75-Y79 HydrophobicContact CZ3-CE2 4.38Å; W75-Y79 AromaticContact CZ3-CZ 3.61Å; Y76-Y79 WeakPolarHBondContact O-CB 3.49Å; Y76-Y79 PolarHBondContact O-N 2.86Å; I77-Y79 VanDerWaalsContact C-N 3.35Å; Y79-E81 HydrophobicContact CD1-CB 3.65Å; Y79-E81 HydrophobicContact CE1-CB 4.23Å; Y79-E81 PolarHBondContact O-N 3.44Å; Y79-Y82 PolarHBondContact O-N 3.36Å; Y79-R86 PolarHBondContact O-NH2 2.93Å
80P92.9Very high92.4Very high93 Ų9363.2 Ų63.260%0.60430%0.298SS*.G310 helixtrans-58.7-27.5-179-28.337.1000114.5Y82 K83P80-Y82 VanDerWaalsContact C-N 3.26Å; P80-Y82 PolarHBondContact O-N 3.16Å; P80-K83 VanDerWaalsContact O-CB 3.23Å; P80-K83 WeakPolarHBondContact O-CB 3.32Å; P80-K83 PolarHBondContact O-N 3.42Å; P80-K83 VanDerWaalsContact O-N 3.11Å
81E90.6Very high92.6Very high44 Ų4461.6 Ų61.621%0.20628%0.283CS..G310 helixtrans-53.5-43.5177.7-175.260.4-156.400111.9K69 Y71 W75 Y79 K83K69-E81 WeakPolarHBondContact CE-OE1 3.39Å; K69-E81 IonicContact NZ-OE1 2.64Å; K69-E81 PolarHBondContact NZ-OE1 2.84Å; K69-E81 IonicContact NZ-OE2 2.73Å; K69-E81 PolarHBondContact NZ-OE2 2.88Å; Y71-E81 HydrophobicContact CD1-CG 4.49Å; Y71-E81 WeakPolarHBondContact CE1-O 3.34Å; W75-E81 HydrophobicContact CG-CB 4.32Å; W75-E81 HydrophobicContact CG-CG 4.32Å; Y79-E81 HydrophobicContact CD1-CB 3.65Å; Y79-E81 HydrophobicContact CE1-CB 4.23Å; Y79-E81 PolarHBondContact O-N 3.44Å; E81-K83 PolarHBondContact O-N 3.31Å
82Y91.2Very high92.7Very high0 Ų067.1 Ų67.10%032%0.319CS..G310 helixtrans-93.515.9-177.6-61-30.4000114V55 F57 Y71 G73 W75 Y79 P80 Y84 I85 R86 L89V55-Y82 HydrophobicContact CB-CE2 4.32Å; V55-Y82 PolarHBondContact O-OH 2.93Å; F57-Y82 AromaticContact CD2-CE1 3.78Å; F57-Y82 HydrophobicContact CD2-CE1 3.78Å; F57-Y82 AromaticContact CD2-CZ 3.7Å; F57-Y82 WeakPolarHBondContact CD2-OH 3.49Å; F57-Y82 HydrophobicContact CE2-CE1 4.13Å; Y71-Y82 AromaticContact CD1-CD1 3.66Å; Y71-Y82 HydrophobicContact CD1-CD1 3.66Å; Y71-Y82 AromaticContact CD1-CE1 3.81Å; Y71-Y82 HydrophobicContact CD1-CE1 3.81Å; Y71-Y82 HydrophobicContact CE1-CD1 4.05Å; Y71-Y82 HydrophobicContact CG-CE1 4.37Å; G73-Y82 PolarHBondContact O-OH 2.83Å; W75-Y82 HydrophobicContact CB-CD2 4.14Å; W75-Y82 HydrophobicContact CB-CE2 3.57Å; W75-Y82 AromaticContact CD1-CZ 3.86Å; W75-Y82 HydrophobicContact CG-CE2 4.46Å; Y79-Y82 PolarHBondContact O-N 3.36Å; P80-Y82 VanDerWaalsContact C-N 3.26Å; P80-Y82 PolarHBondContact O-N 3.16Å; Y82-Y84 PolarHBondContact O-N 2.96Å; Y82-I85 HydrophobicContact CD1-CD1 3.74Å; Y82-I85 HydrophobicContact CD1-CG1 4.2Å; Y82-I85 HydrophobicContact CE1-CD1 4.35Å; Y82-I85 HydrophobicContact CG-CD1 4.21Å; Y82-I85 HydrophobicContact CG-CG1 4.35Å; Y82-I85 PolarHBondContact O-N 3.37Å; Y82-R86 WeakPolarHBondContact O-CA 3.48Å; Y82-R86 WeakPolarHBondContact O-CB 3.42Å; Y82-R86 PolarHBondContact O-N 3.42Å; Y82-L89 HydrophobicContact CD2-CD2 4.07Å; Y82-L89 HydrophobicContact CE2-CD2 4.48Å
83K90.7Very high92.9Very high137 Ų13763 Ų6360%0.59630%0.298SS*.THydrogen-bonded Turntrans-52.5-41.8-176.1-179.4177.8178.2-178.40112.9P80 E81P80-K83 VanDerWaalsContact O-CB 3.23Å; P80-K83 WeakPolarHBondContact O-CB 3.32Å; P80-K83 PolarHBondContact O-N 3.42Å; P80-K83 VanDerWaalsContact O-N 3.11Å; E81-K83 PolarHBondContact O-N 3.31Å
84Y90.1Very high93Very high144 Ų14461.6 Ų61.657%0.56528%0.283SS*.THydrogen-bonded Turntrans-78.2-35-176.1-61.9-73000113.3Y82 F87Y82-Y84 PolarHBondContact O-N 2.96Å; Y84-F87 VanDerWaalsContact O-CD1 3.26Å; Y84-F87 WeakPolarHBondContact O-CD1 3.3Å; Y84-F87 WeakPolarHBondContact O-CE1 3.45Å
85I91.6Very high93Very high0 Ų065.1 Ų65.10%029%0.29CS..THydrogen-bonded Turntrans-93.9-1.1-179.561.7168.1000113.7F57 F62 Y71 Y82 F87 W88 L89F57-I85 HydrophobicContact CE2-CD1 4.02Å; F62-I85 HydrophobicContact CB-CG2 3.78Å; F62-I85 HydrophobicContact CD1-CG2 3.64Å; F62-I85 HydrophobicContact CD2-CG2 4.43Å; F62-I85 HydrophobicContact CE1-CG2 4.28Å; F62-I85 HydrophobicContact CG-CG2 3.7Å; Y71-I85 HydrophobicContact CD1-CD1 4.09Å; Y71-I85 HydrophobicContact CD2-CD1 4.1Å; Y71-I85 HydrophobicContact CE1-CD1 4.01Å; Y71-I85 HydrophobicContact CE1-CG1 4.21Å; Y71-I85 HydrophobicContact CE2-CD1 4.06Å; Y71-I85 HydrophobicContact CE2-CG1 4.48Å; Y71-I85 HydrophobicContact CE2-CG2 3.68Å; Y71-I85 HydrophobicContact CG-CD1 4.13Å; Y82-I85 HydrophobicContact CD1-CD1 3.74Å; Y82-I85 HydrophobicContact CD1-CG1 4.2Å; Y82-I85 HydrophobicContact CE1-CD1 4.35Å; Y82-I85 HydrophobicContact CG-CD1 4.21Å; Y82-I85 HydrophobicContact CG-CG1 4.35Å; Y82-I85 PolarHBondContact O-N 3.37Å; I85-F87 VanDerWaalsContact C-N 3.29Å; I85-F87 PolarHBondContact O-N 2.99Å; I85-W88 HydrophobicContact CB-CE3 4.39Å; I85-W88 PolarHBondContact O-N 2.78Å; I85-W88 VanDerWaalsContact O-N 3.11Å; I85-L89 PolarHBondContact O-N 3.5Å
86R91.4Very high93.1Very high79 Ų7964.5 Ų64.530%0.29829%0.293SS..Hα-helixtrans-57.3-39.5-174-173.3-178.2-61.6-178.10113.3Y78 Y79 Y82 W88 L89 N90Y78-R86 VanDerWaalsContact C-NH2 3.26Å; Y78-R86 PolarHBondContact O-NH2 3.18Å; Y79-R86 PolarHBondContact O-NH2 2.93Å; Y82-R86 WeakPolarHBondContact O-CA 3.48Å; Y82-R86 WeakPolarHBondContact O-CB 3.42Å; Y82-R86 PolarHBondContact O-N 3.42Å; R86-W88 VanDerWaalsContact C-N 3.25Å; R86-W88 PolarHBondContact O-N 3.45Å; R86-L89 PolarHBondContact O-N 2.85Å; R86-N90 PolarHBondContact O-N 3.48Å
87F91.2Very high93.2Very high147 Ų14759.2 Ų59.265%0.64527%0.273SS*.Hα-helixtrans-63.7-35.4-178.773.9-89.8000111.8F62 Y84 I85F62-F87 HydrophobicContact CE1-CZ 4.19Å; F62-F87 HydrophobicContact CZ-CZ 4.41Å; Y84-F87 VanDerWaalsContact O-CD1 3.26Å; Y84-F87 WeakPolarHBondContact O-CD1 3.3Å; Y84-F87 WeakPolarHBondContact O-CE1 3.45Å; I85-F87 VanDerWaalsContact C-N 3.29Å; I85-F87 PolarHBondContact O-N 2.99Å
88W91.2Very high93.3Very high39 Ų3959.4 Ų59.415%0.14827%0.274CS..Hα-helixtrans-77.5-41.6176.4168.578000111F57 F60 F62 I85 R86 N90 P91 W161F57-W88 HydrophobicContact CZ-CH2 4.44Å; F57-W88 HydrophobicContact CZ-CZ3 4.01Å; F60-W88 AromaticContact CE1-CH2 3.87Å; F60-W88 HydrophobicContact CE1-CH2 3.87Å; F60-W88 AromaticContact CE1-CZ3 3.9Å; F60-W88 HydrophobicContact CE1-CZ3 3.9Å; F60-W88 AromaticContact CZ-CH2 3.77Å; F60-W88 HydrophobicContact CZ-CH2 3.77Å; F60-W88 HydrophobicContact CZ-CZ2 4.42Å; F60-W88 HydrophobicContact CZ-CZ3 4.27Å; F62-W88 HydrophobicContact CD2-CD2 4.19Å; F62-W88 HydrophobicContact CD2-CE3 4.2Å; F62-W88 HydrophobicContact CD2-CZ3 4.42Å; F62-W88 HydrophobicContact CE2-CB 4.24Å; F62-W88 AromaticContact CE2-CD1 3.89Å; F62-W88 AromaticContact CE2-CD2 3.47Å; F62-W88 HydrophobicContact CE2-CD2 3.47Å; F62-W88 VanDerWaalsContact CE2-CD2 3.47Å; F62-W88 AromaticContact CE2-CE2 3.7Å; F62-W88 AromaticContact CE2-CE3 3.91Å; F62-W88 HydrophobicContact CE2-CE3 3.91Å; F62-W88 AromaticContact CE2-CG 3.61Å; F62-W88 HydrophobicContact CE2-CG 3.61Å; F62-W88 HydrophobicContact CE2-CZ2 4.29Å; F62-W88 HydrophobicContact CE2-CZ3 4.48Å; F62-W88 AromaticContact CE2-NE1 3.94Å; F62-W88 HydrophobicContact CZ-CB 3.86Å; F62-W88 HydrophobicContact CZ-CD2 4.04Å; F62-W88 AromaticContact CZ-CG 3.69Å; F62-W88 HydrophobicContact CZ-CG 3.69Å; I85-W88 HydrophobicContact CB-CE3 4.39Å; I85-W88 PolarHBondContact O-N 2.78Å; I85-W88 VanDerWaalsContact O-N 3.11Å; R86-W88 VanDerWaalsContact C-N 3.25Å; R86-W88 PolarHBondContact O-N 3.45Å; W88-N90 PolarHBondContact O-N 2.99Å; W88-P91 WeakPolarHBondContact O-CD 3.34Å; W88-W161 WeakPolarHBondContact CZ2-O 3.26Å; W88-W161 PolarHBondContact NE1-O 3.08Å; W88-W161 PolarHBondContact O-NE1 3.46Å; W88-W161 VanDerWaalsContact O-NE1 3.16Å
89L92.3Very high93.5Very high0 Ų059.4 Ų59.40%028%0.277CS..Hα-helixtrans-67.9-35.1-178.4-165.759.1000112.8L50 V55 F57 I77 Y82 I85 R86 P91 W161L50-L89 HydrophobicContact CD1-CD1 4.26Å; V55-L89 HydrophobicContact CB-CD1 4.47Å; V55-L89 HydrophobicContact CB-CD2 4.09Å; V55-L89 HydrophobicContact CG1-CD1 4.13Å; V55-L89 HydrophobicContact CG1-CD2 4.45Å; V55-L89 HydrophobicContact CG2-CD1 4.06Å; V55-L89 HydrophobicContact CG2-CD2 3.91Å; V55-L89 HydrophobicContact CG2-CG 4.2Å; F57-L89 HydrophobicContact CE2-CD1 4.48Å; F57-L89 HydrophobicContact CE2-CD2 4.48Å; F57-L89 HydrophobicContact CZ-CD1 4.05Å; I77-L89 HydrophobicContact CG1-CD2 4.21Å; I77-L89 HydrophobicContact CG2-CD2 4.01Å; I77-L89 HydrophobicContact CG2-CG 4.37Å; Y82-L89 HydrophobicContact CD2-CD2 4.07Å; Y82-L89 HydrophobicContact CE2-CD2 4.48Å; I85-L89 PolarHBondContact O-N 3.5Å; R86-L89 PolarHBondContact O-N 2.85Å; L89-P91 VanDerWaalsContact C-CD 3.41Å; L89-P91 WeakPolarHBondContact O-CD 3.19Å; L89-W161 WeakPolarHBondContact O-CZ2 3.31Å; L89-W161 PolarHBondContact O-NE1 3.49Å; L89-W161 VanDerWaalsContact O-NE1 3.16Å
90N93.5Very high93.7Very high19 Ų1955.7 Ų55.710%0.10227%0.265CS..SBendtrans-113.674.4177.9-81.9-16.5000111.9I77 Y78 R86 W88 F94 Q98I77-N90 VanDerWaalsContact CG2-CG 3.5Å; I77-N90 WeakPolarHBondContact CG2-ND2 3.28Å; Y78-N90 VanDerWaalsContact CZ-ND2 3.3Å; Y78-N90 PolarHBondContact OH-ND2 3.25Å; R86-N90 PolarHBondContact O-N 3.48Å; W88-N90 PolarHBondContact O-N 2.99Å; N90-F94 VanDerWaalsContact OD1-CD1 3.26Å; N90-F94 WeakPolarHBondContact OD1-CD1 3.25Å; N90-F94 WeakPolarHBondContact OD1-CE1 3.47Å; N90-Q98 PolarHBondContact OD1-NE2 3.37Å; N90-Q98 VanDerWaalsContact OD1-NE2 3.12Å
91P94.2Very high93.9Very high17 Ų1751.6 Ų51.611%0.1124%0.238CC..  trans-63.2157.9172.130.2-37.3000110.1W88 L89 W93 F94 Y95 W161W88-P91 WeakPolarHBondContact O-CD 3.34Å; L89-P91 VanDerWaalsContact C-CD 3.41Å; L89-P91 WeakPolarHBondContact O-CD 3.19Å; P91-W93 HydrophobicContact CB-CG 4.5Å; P91-W93 HydrophobicContact CG-CD2 4.16Å; P91-W93 VanDerWaalsContact CG-CE2 3.43Å; P91-W93 HydrophobicContact CG-CG 4.32Å; P91-W93 HydrophobicContact CG-CZ2 3.86Å; P91-W93 PolarHBondContact O-N 3.49Å; P91-F94 HydrophobicContact CG-CB 3.8Å; P91-F94 PolarHBondContact O-N 3Å; P91-Y95 PolarHBondContact O-N 3.46Å; P91-W161 HydrophobicContact CG-CD2 4.23Å; P91-W161 HydrophobicContact CG-CG 4.12Å; P91-W161 HydrophobicContact CG-CZ2 4.28Å
92P94.6Very high94.2Very high116 Ų11652.6 Ų52.675%0.75324%0.244SC*.Hα-helixtrans-54.1-35.4-174.3-2935.4000114.4Y95 L96P92-Y95 PolarHBondContact O-N 3.48Å; P92-L96 PolarHBondContact O-N 2.86Å
93W94.8Very high94.5Very high38 Ų3855.8 Ų55.814%0.14426%0.26CS..Hα-helixtrans-69.6-34.4178.367.7-100.8000112.3P91 L96 V97 M152 M155 W161P91-W93 HydrophobicContact CB-CG 4.5Å; P91-W93 HydrophobicContact CG-CD2 4.16Å; P91-W93 VanDerWaalsContact CG-CE2 3.43Å; P91-W93 HydrophobicContact CG-CG 4.32Å; P91-W93 HydrophobicContact CG-CZ2 3.86Å; P91-W93 PolarHBondContact O-N 3.49Å; W93-L96 WeakPolarHBondContact O-CB 3.31Å; W93-L96 PolarHBondContact O-N 3.26Å; W93-V97 HydrophobicContact CE3-CG2 4.34Å; W93-V97 WeakPolarHBondContact O-CG2 3.4Å; W93-V97 PolarHBondContact O-N 3.42Å; W93-M152 HydrophobicContact CH2-SD 4.36Å; W93-M152 HydrophobicContact CZ3-SD 4.14Å; W93-M155 HydrophobicContact CD2-CB 3.73Å; W93-M155 HydrophobicContact CD2-CE 4.25Å; W93-M155 HydrophobicContact CD2-CG 3.75Å; W93-M155 HydrophobicContact CE3-CB 3.71Å; W93-M155 HydrophobicContact CE3-CG 3.88Å; W93-M155 HydrophobicContact CG-CE 4.02Å; W93-M155 HydrophobicContact CG-CG 4.11Å; W93-M155 HydrophobicContact CH2-CB 3.47Å; W93-M155 VanDerWaalsContact CH2-CB 3.47Å; W93-M155 HydrophobicContact CH2-CG 4.5Å; W93-M155 HydrophobicContact CZ2-CB 3.49Å; W93-M155 VanDerWaalsContact CZ2-CB 3.49Å; W93-M155 HydrophobicContact CZ2-CG 4.39Å; W93-M155 HydrophobicContact CZ3-CB 3.61Å; W93-M155 HydrophobicContact CZ3-CG 4.28Å; W93-W161 HydrophobicContact CH2-CD2 4.05Å; W93-W161 AromaticContact CH2-CE3 3.49Å; W93-W161 HydrophobicContact CH2-CE3 3.49Å; W93-W161 VanDerWaalsContact CH2-CE3 3.49Å; W93-W161 AromaticContact CH2-CH2 3.41Å; W93-W161 HydrophobicContact CH2-CH2 3.41Å; W93-W161 VanDerWaalsContact CH2-CH2 3.41Å; W93-W161 HydrophobicContact CH2-CZ2 4.01Å; W93-W161 AromaticContact CH2-CZ3 3.15Å; W93-W161 HydrophobicContact CH2-CZ3 3.15Å; W93-W161 AromaticContact CZ2-CD2 3.42Å; W93-W161 HydrophobicContact CZ2-CD2 3.42Å; W93-W161 VanDerWaalsContact CZ2-CD2 3.42Å; W93-W161 AromaticContact CZ2-CE2 3.83Å; W93-W161 AromaticContact CZ2-CE3 3.23Å; W93-W161 HydrophobicContact CZ2-CE3 3.23Å; W93-W161 HydrophobicContact CZ2-CG 4.08Å; W93-W161 AromaticContact CZ2-CH2 3.79Å; W93-W161 HydrophobicContact CZ2-CH2 3.79Å; W93-W161 AromaticContact CZ2-CZ2 3.99Å; W93-W161 HydrophobicContact CZ2-CZ2 3.99Å; W93-W161 AromaticContact CZ2-CZ3 3.46Å; W93-W161 HydrophobicContact CZ2-CZ3 3.46Å; W93-W161 VanDerWaalsContact CZ2-CZ3 3.46Å; W93-W161 HydrophobicContact CZ3-CH2 4.37Å; W93-W161 HydrophobicContact CZ3-CZ3 4.37Å
94F95.5Very high94.9Very high0 Ų049.3 Ų49.30%023%0.233CC..Hα-helixtrans-77-33.7178.7-173.3-112.2000110.7L50 L52 I77 N90 P91 L96 V97 Q98 M152 W161L50-F94 HydrophobicContact CD2-CE2 3.95Å; L50-F94 HydrophobicContact CD2-CZ 3.77Å; L52-F94 HydrophobicContact CD1-CE2 4.3Å; L52-F94 HydrophobicContact CD1-CZ 4.19Å; I77-F94 HydrophobicContact CD1-CE1 4.02Å; N90-F94 VanDerWaalsContact OD1-CD1 3.26Å; N90-F94 WeakPolarHBondContact OD1-CD1 3.25Å; N90-F94 WeakPolarHBondContact OD1-CE1 3.47Å; P91-F94 HydrophobicContact CG-CB 3.8Å; P91-F94 PolarHBondContact O-N 3Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 PolarHBondContact O-N 2.96Å; F94-V97 HydrophobicContact CD2-CB 4.48Å; F94-V97 WeakPolarHBondContact O-CB 3.48Å; F94-V97 PolarHBondContact O-N 2.97Å; F94-Q98 HydrophobicContact CE1-CG 4.41Å; F94-Q98 PolarHBondContact O-N 3.33Å; F94-Q98 PolarHBondContact O-NE2 3.43Å; F94-M152 HydrophobicContact CE2-CE 4.3Å; F94-M152 HydrophobicContact CE2-SD 4.42Å; F94-W161 HydrophobicContact CB-CH2 4.47Å; F94-W161 HydrophobicContact CB-CZ2 4.1Å; F94-W161 HydrophobicContact CD1-CZ2 4.05Å; F94-W161 AromaticContact CD2-CH2 3.71Å; F94-W161 HydrophobicContact CD2-CH2 3.71Å; F94-W161 HydrophobicContact CD2-CZ2 4.02Å; F94-W161 HydrophobicContact CE2-CH2 4.03Å; F94-W161 HydrophobicContact CE2-CZ2 4.5Å; F94-W161 AromaticContact CG-CH2 3.98Å; F94-W161 HydrophobicContact CG-CH2 3.98Å; F94-W161 AromaticContact CG-CZ2 3.78Å; F94-W161 HydrophobicContact CG-CZ2 3.78Å
95Y94.8Very high95.2Very high122 Ų12243.7 Ų43.748%0.47821%0.212SC..Hα-helixtrans-60.4-40.6168.3-168.6-104.2000111.7Y78 P91 P92 Q98 I99Y78-Y95 WeakPolarHBondContact OH-CD2 3.11Å; Y78-Y95 WeakPolarHBondContact OH-CE2 3.33Å; P91-Y95 PolarHBondContact O-N 3.46Å; P92-Y95 PolarHBondContact O-N 3.48Å; Y95-Q98 WeakPolarHBondContact O-CB 3.21Å; Y95-Q98 PolarHBondContact O-N 3.27Å; Y95-I99 HydrophobicContact CD1-CD1 3.69Å; Y95-I99 HydrophobicContact CE1-CD1 3.39Å; Y95-I99 HydrophobicContact CE1-CG1 4.29Å; Y95-I99 WeakPolarHBondContact O-CG1 3.42Å; Y95-I99 PolarHBondContact O-N 3.03Å
96L96.8Very high95.5Very high77 Ų7748.9 Ų48.940%0.40324%0.238SC..Hα-helixtrans-62.6-41.2172.6179.562.1000112.1P92 W93 F94 Q98 I99 L100 L151P92-L96 PolarHBondContact O-N 2.86Å; W93-L96 WeakPolarHBondContact O-CB 3.31Å; W93-L96 PolarHBondContact O-N 3.26Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 PolarHBondContact O-N 2.96Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 3.01Å; L96-I99 PolarHBondContact O-N 3.47Å; L96-L100 HydrophobicContact CD1-CD1 3.93Å; L96-L100 HydrophobicContact CD1-CG 3.98Å; L96-L100 HydrophobicContact CD2-CD1 4.49Å; L96-L100 HydrophobicContact CG-CD1 3.83Å; L96-L100 HydrophobicContact CG-CG 4.31Å; L96-L100 WeakPolarHBondContact O-CB 3.38Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.28Å; L96-L151 HydrophobicContact CD2-CD1 3.83Å; L96-L151 HydrophobicContact CG-CD1 4.22Å
97V97Very high95.8Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-59.3-43.1174.11680000111.5L52 W93 F94 S101 V148 L151L52-V97 HydrophobicContact CD1-CG1 3.91Å; W93-V97 HydrophobicContact CE3-CG2 4.34Å; W93-V97 WeakPolarHBondContact O-CG2 3.4Å; W93-V97 PolarHBondContact O-N 3.42Å; F94-V97 HydrophobicContact CD2-CB 4.48Å; F94-V97 WeakPolarHBondContact O-CB 3.48Å; F94-V97 PolarHBondContact O-N 2.97Å; V97-S101 VanDerWaalsContact O-CB 3.26Å; V97-S101 WeakPolarHBondContact O-CB 3.33Å; V97-S101 PolarHBondContact O-N 2.87Å; V97-S101 PolarHBondContact O-OG 3.35Å; V97-V148 HydrophobicContact CG1-CG1 3.97Å; V97-V148 HydrophobicContact CG1-CG2 4.45Å; V97-L151 HydrophobicContact CG2-CB 3.79Å; V97-L151 HydrophobicContact CG2-CD1 4.02Å
98Q97Very high96.1Very high4 Ų438.9 Ų38.92%0.01920%0.199CC..Hα-helixtrans-59.1-49.6175.3-74.2169.767.500111.8L52 W53 Y78 N90 F94 Y95 L96 S101 I102L52-Q98 HydrophobicContact CD1-CB 4.29Å; L52-Q98 HydrophobicContact CD1-CG 3.53Å; L52-Q98 HydrophobicContact CG-CG 3.9Å; W53-Q98 HydrophobicContact CH2-CB 3.89Å; W53-Q98 HydrophobicContact CH2-CG 4.14Å; W53-Q98 HydrophobicContact CZ3-CB 4.22Å; W53-Q98 HydrophobicContact CZ3-CG 4.12Å; Y78-Q98 PolarHBondContact OH-OE1 3.46Å; Y78-Q98 VanDerWaalsContact OH-OE1 3.11Å; N90-Q98 PolarHBondContact OD1-NE2 3.37Å; N90-Q98 VanDerWaalsContact OD1-NE2 3.12Å; F94-Q98 HydrophobicContact CE1-CG 4.41Å; F94-Q98 PolarHBondContact O-N 3.33Å; F94-Q98 PolarHBondContact O-NE2 3.43Å; Y95-Q98 WeakPolarHBondContact O-CB 3.21Å; Y95-Q98 PolarHBondContact O-N 3.27Å; L96-Q98 VanDerWaalsContact C-N 3.34Å; L96-Q98 PolarHBondContact O-N 3.01Å; Q98-S101 PolarHBondContact O-N 3.31Å; Q98-I102 WeakPolarHBondContact O-CG1 3.43Å; Q98-I102 PolarHBondContact O-N 3.11Å
99I97.4Very high96.4Very high66 Ų6640.3 Ų40.334%0.33821%0.209SC..Hα-helixtrans-62.7-49.2-179.9-68.2169000111.4Y95 L96 S101 I102 I103Y95-I99 HydrophobicContact CD1-CD1 3.69Å; Y95-I99 HydrophobicContact CE1-CD1 3.39Å; Y95-I99 HydrophobicContact CE1-CG1 4.29Å; Y95-I99 WeakPolarHBondContact O-CG1 3.42Å; Y95-I99 PolarHBondContact O-N 3.03Å; L96-I99 PolarHBondContact O-N 3.47Å; I99-S101 PolarHBondContact O-N 3.4Å; I99-I102 WeakPolarHBondContact O-CB 3.41Å; I99-I102 PolarHBondContact O-N 3.11Å; I99-I102 VanDerWaalsContact O-N 3.16Å; I99-I103 HydrophobicContact CG2-CD1 3.86Å; I99-I103 HydrophobicContact CG2-CG1 4.48Å; I99-I103 WeakPolarHBondContact O-CG1 3.41Å; I99-I103 PolarHBondContact O-N 2.94Å
100L98.1Very high96.6Very high28 Ų2841.9 Ų41.915%0.14722%0.222CC..Hα-helixtrans-63.6-33.7-179.8-70173.3000111.7L96 I103 S104 C144 V147 V148L96-L100 HydrophobicContact CD1-CD1 3.93Å; L96-L100 HydrophobicContact CD1-CG 3.98Å; L96-L100 HydrophobicContact CD2-CD1 4.49Å; L96-L100 HydrophobicContact CG-CD1 3.83Å; L96-L100 HydrophobicContact CG-CG 4.31Å; L96-L100 WeakPolarHBondContact O-CB 3.38Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.28Å; L100-I103 PolarHBondContact O-N 2.89Å; L100-S104 VanDerWaalsContact O-CB 3.32Å; L100-S104 WeakPolarHBondContact O-CB 3.48Å; L100-S104 PolarHBondContact O-N 3.46Å; L100-S104 PolarHBondContact O-OG 3.43Å; L100-C144 HydrophobicContact CB-CB 4.47Å; L100-V147 HydrophobicContact CD1-CB 3.99Å; L100-V147 HydrophobicContact CD1-CG1 3.45Å; L100-V147 VanDerWaalsContact CD1-CG1 3.45Å; L100-V148 HydrophobicContact CB-CG2 3.58Å; L100-V148 HydrophobicContact CD1-CG2 4.39Å
101S97.3Very high96.6Very high6 Ų641 Ų414%0.04222%0.217CC..Hα-helixtrans-64.9-42.6174.4-610000111.4V97 Q98 I99 S104 L105V97-S101 VanDerWaalsContact O-CB 3.26Å; V97-S101 WeakPolarHBondContact O-CB 3.33Å; V97-S101 PolarHBondContact O-N 2.87Å; V97-S101 PolarHBondContact O-OG 3.35Å; Q98-S101 PolarHBondContact O-N 3.31Å; I99-S101 PolarHBondContact O-N 3.4Å; S101-S104 PolarHBondContact O-N 2.88Å; S101-S104 PolarHBondContact O-OG 3.35Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 PolarHBondContact O-N 3.32Å
102I97.9Very high96.7Very high65 Ų6541.2 Ų41.233%0.33322%0.218SC..Hα-helixtrans-60.4-49173.5-66.1166.1000110.8F31 W53 Q98 I99 S104 L105 I106F31-I102 HydrophobicContact CE2-CG1 3.84Å; F31-I102 HydrophobicContact CZ-CG1 3.96Å; W53-I102 HydrophobicContact CH2-CD1 3.68Å; W53-I102 HydrophobicContact CH2-CG1 4.05Å; W53-I102 HydrophobicContact CZ2-CD1 4.12Å; W53-I102 HydrophobicContact CZ2-CG1 3.97Å; Q98-I102 WeakPolarHBondContact O-CG1 3.43Å; Q98-I102 PolarHBondContact O-N 3.11Å; I99-I102 WeakPolarHBondContact O-CB 3.41Å; I99-I102 PolarHBondContact O-N 3.11Å; I99-I102 VanDerWaalsContact O-N 3.16Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.34Å; I102-L105 WeakPolarHBondContact O-CB 3.24Å; I102-L105 PolarHBondContact O-N 3.19Å; I102-I106 HydrophobicContact CG2-CD1 3.74Å; I102-I106 HydrophobicContact CG2-CG1 4.38Å; I102-I106 WeakPolarHBondContact O-CG1 3.41Å; I102-I106 PolarHBondContact O-N 2.91Å
103I98.1Very high96.6Very high67 Ų6740.4 Ų40.434%0.34421%0.206SC..Hα-helixtrans-59.7-45.4179.6-65.3169.1000110.1I99 L100 L105 I106 C107 V140I99-I103 HydrophobicContact CG2-CD1 3.86Å; I99-I103 HydrophobicContact CG2-CG1 4.48Å; I99-I103 WeakPolarHBondContact O-CG1 3.41Å; I99-I103 PolarHBondContact O-N 2.94Å; L100-I103 PolarHBondContact O-N 2.89Å; I103-L105 VanDerWaalsContact C-N 3.32Å; I103-L105 PolarHBondContact O-N 2.84Å; I103-I106 PolarHBondContact O-N 3.46Å; I103-C107 WeakPolarHBondContact O-CB 3.39Å; I103-C107 PolarHBondContact O-N 3.4Å; I103-C107 PolarHBondContact O-SG 3.28Å; I103-C107 VanDerWaalsContact O-SG 3.39Å; I103-V140 HydrophobicContact CG2-CG1 4.34Å
104S97.5Very high96.5Very high2 Ų240.1 Ų40.11%0.01421%0.207CC..Hα-helixtrans-61.3-39.9177.878.20000112.2L100 S101 I102 N108L100-S104 VanDerWaalsContact O-CB 3.32Å; L100-S104 WeakPolarHBondContact O-CB 3.48Å; L100-S104 PolarHBondContact O-N 3.46Å; L100-S104 PolarHBondContact O-OG 3.43Å; S101-S104 PolarHBondContact O-N 2.88Å; S101-S104 PolarHBondContact O-OG 3.35Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.34Å; S104-N108 WeakPolarHBondContact O-CB 3.13Å; S104-N108 PolarHBondContact O-N 2.94Å
105L97.8Very high96.2Very high25 Ų2540.2 Ų40.213%0.13121%0.208CC..Hα-helixtrans-63.8-49.7176.9-174.169000111.3N27 I28 F31 S101 I102 I103 N108 L109N27-L105 HydrophobicContact CB-CD1 4.49Å; N27-L105 VanDerWaalsContact ND2-CA 3.33Å; N27-L105 WeakPolarHBondContact ND2-CA 3.31Å; I28-L105 HydrophobicContact CG1-CD1 3.94Å; F31-L105 HydrophobicContact CD1-CD2 3.78Å; F31-L105 HydrophobicContact CD2-CD2 4.06Å; F31-L105 HydrophobicContact CE1-CD2 3.87Å; F31-L105 HydrophobicContact CE2-CD2 4.13Å; F31-L105 HydrophobicContact CG-CD2 3.88Å; F31-L105 HydrophobicContact CZ-CD2 4.04Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 PolarHBondContact O-N 3.32Å; I102-L105 WeakPolarHBondContact O-CB 3.24Å; I102-L105 PolarHBondContact O-N 3.19Å; I103-L105 VanDerWaalsContact C-N 3.32Å; I103-L105 PolarHBondContact O-N 2.84Å; L105-N108 PolarHBondContact O-N 3.27Å; L105-L109 HydrophobicContact CD1-CD1 4.05Å; L105-L109 HydrophobicContact CD1-CG 4.29Å; L105-L109 HydrophobicContact CG-CD1 3.99Å; L105-L109 HydrophobicContact CG-CG 4.5Å; L105-L109 WeakPolarHBondContact O-CB 3.27Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.47Å
106I98.1Very high96Very high109 Ų10937.8 Ų37.856%0.55920%0.202SC*.Hα-helixtrans-61.2-49.2178.6-65.6169.8000110.5I102 I103 N108 L109 A110I102-I106 HydrophobicContact CG2-CD1 3.74Å; I102-I106 HydrophobicContact CG2-CG1 4.38Å; I102-I106 WeakPolarHBondContact O-CG1 3.41Å; I102-I106 PolarHBondContact O-N 2.91Å; I103-I106 PolarHBondContact O-N 3.46Å; I106-N108 PolarHBondContact O-N 3.31Å; I106-L109 PolarHBondContact O-N 2.93Å; I106-A110 WeakPolarHBondContact O-CB 3.47Å; I106-A110 PolarHBondContact O-N 2.95Å
107C97.7Very high95.6Very high16 Ų1636.3 Ų36.311%0.10819%0.194CC..Hα-helixtrans-62.9-40.7179.9-730000112.4I103 G111 A141I103-C107 WeakPolarHBondContact O-CB 3.39Å; I103-C107 PolarHBondContact O-N 3.4Å; I103-C107 PolarHBondContact O-SG 3.28Å; I103-C107 VanDerWaalsContact O-SG 3.39Å; C107-G111 PolarHBondContact O-N 3.26Å; C107-A141 HydrophobicContact CB-CB 3.97Å
108N96.8Very high95Very high0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-69.6-42.5-179.8-169.3-94.3000111.9A24 S104 L105 I106 G111 L112 Q138 A141A24-N108 WeakPolarHBondContact CA-OD1 3.23Å; A24-N108 WeakPolarHBondContact CB-OD1 3.26Å; A24-N108 PolarHBondContact N-OD1 2.89Å; S104-N108 WeakPolarHBondContact O-CB 3.13Å; S104-N108 PolarHBondContact O-N 2.94Å; L105-N108 PolarHBondContact O-N 3.27Å; I106-N108 PolarHBondContact O-N 3.31Å; N108-G111 PolarHBondContact O-N 2.92Å; N108-L112 WeakPolarHBondContact O-CB 3.36Å; N108-L112 PolarHBondContact O-N 3.4Å; N108-Q138 PolarHBondContact ND2-OE1 3.45Å; N108-A141 HydrophobicContact CB-CB 4.33Å
109L97.1Very high94.4Very high69 Ų6941.6 Ų41.636%0.36122%0.223SC..Hα-helixtrans-68.8-42.9176-67.3178.7000112.5A24 I28 L105 I106 G111 L112 L113A24-L109 HydrophobicContact CB-CD2 4.2Å; I28-L109 HydrophobicContact CD1-CD2 4.14Å; L105-L109 HydrophobicContact CD1-CD1 4.05Å; L105-L109 HydrophobicContact CD1-CG 4.29Å; L105-L109 HydrophobicContact CG-CD1 3.99Å; L105-L109 HydrophobicContact CG-CG 4.5Å; L105-L109 WeakPolarHBondContact O-CB 3.27Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.43Å; L105-L109 PolarHBondContact O-N 3.47Å; I106-L109 PolarHBondContact O-N 2.93Å; L109-G111 VanDerWaalsContact C-N 3.3Å; L109-G111 PolarHBondContact O-N 3.41Å; L109-L112 PolarHBondContact O-N 2.88Å; L109-L113 WeakPolarHBondContact O-CB 3.31Å; L109-L113 PolarHBondContact O-N 2.85Å
110A96.2Very high93.8Very high34 Ų3442.4 Ų42.428%0.28123%0.233SC..Hα-helixtrans-62.2-40.3173.700000111.2I106 L113 M114 L137I106-A110 WeakPolarHBondContact O-CB 3.47Å; I106-A110 PolarHBondContact O-N 2.95Å; A110-L113 PolarHBondContact O-N 3.01Å; A110-M114 WeakPolarHBondContact O-CB 3.33Å; A110-M114 VanDerWaalsContact O-CG 3.26Å; A110-M114 WeakPolarHBondContact O-CG 3.38Å; A110-M114 PolarHBondContact O-N 3.47Å; A110-L137 HydrophobicContact CB-CD1 4.14Å
111G94.8Very high92.8Very high0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-61.9-45.1173.600000112.6C107 N108 L109 M114 I115C107-G111 PolarHBondContact O-N 3.26Å; N108-G111 PolarHBondContact O-N 2.92Å; L109-G111 VanDerWaalsContact C-N 3.3Å; L109-G111 PolarHBondContact O-N 3.41Å; G111-M114 PolarHBondContact O-N 3.39Å; G111-I115 VanDerWaalsContact O-CG1 3.26Å; G111-I115 WeakPolarHBondContact O-CG1 3.5Å; G111-I115 PolarHBondContact O-N 3.16Å
112L94.9Very high91.5Very high22 Ų2252.7 Ų52.712%0.11529%0.287CS..Hα-helixtrans-61.6-46.1175.4177.564.1000111.5F21 A24 N108 L109 M114 I115 I116F21-L112 HydrophobicContact CD2-CD2 4.48Å; A24-L112 HydrophobicContact CB-CD2 3.68Å; N108-L112 WeakPolarHBondContact O-CB 3.36Å; N108-L112 PolarHBondContact O-N 3.4Å; L109-L112 PolarHBondContact O-N 2.88Å; L112-M114 VanDerWaalsContact C-N 3.33Å; L112-M114 PolarHBondContact O-N 3.1Å; L112-I115 WeakPolarHBondContact O-CB 3.45Å; L112-I115 PolarHBondContact O-N 3.37Å; L112-I116 HydrophobicContact CD1-CD1 4.19Å; L112-I116 HydrophobicContact CD1-CG1 4.42Å; L112-I116 HydrophobicContact CG-CD1 3.97Å; L112-I116 WeakPolarHBondContact O-CG1 3.12Å; L112-I116 PolarHBondContact O-N 2.69Å
113L93.8Very high89.7Confident99 Ų9954 Ų5452%0.51829%0.288SS..Hα-helixtrans-57.3-47.4176.5177.662.6000111L109 A110 I115 I116 L117L109-L113 WeakPolarHBondContact O-CB 3.31Å; L109-L113 PolarHBondContact O-N 2.85Å; A110-L113 PolarHBondContact O-N 3.01Å; L113-I115 VanDerWaalsContact C-N 3.33Å; L113-I115 PolarHBondContact O-N 2.85Å; L113-I116 WeakPolarHBondContact O-CB 3.31Å; L113-I116 PolarHBondContact O-N 2.93Å; L113-I116 VanDerWaalsContact O-N 3.16Å; L113-L117 HydrophobicContact CD1-CG 4.44Å; L113-L117 HydrophobicContact CG-CD1 4.22Å; L113-L117 WeakPolarHBondContact O-CG 3.1Å; L113-L117 PolarHBondContact O-N 3.44Å
114M91.2Very high87.7Confident32 Ų3253 Ų5316%0.15830%0.295CS..Hα-helixtrans-63.6-37.1177.9-71.5-62.6-67.200112.5A110 G111 L112 I116 L117 V118 Y123 P130 V134A110-M114 WeakPolarHBondContact O-CB 3.33Å; A110-M114 VanDerWaalsContact O-CG 3.26Å; A110-M114 WeakPolarHBondContact O-CG 3.38Å; A110-M114 PolarHBondContact O-N 3.47Å; G111-M114 PolarHBondContact O-N 3.39Å; L112-M114 VanDerWaalsContact C-N 3.33Å; L112-M114 PolarHBondContact O-N 3.1Å; M114-I116 VanDerWaalsContact C-N 3.34Å; M114-L117 PolarHBondContact O-N 3.39Å; M114-L117 HydrophobicContact SD-CD1 4.14Å; M114-V118 VanDerWaalsContact O-CG2 3.32Å; M114-V118 WeakPolarHBondContact O-CG2 3.46Å; M114-V118 PolarHBondContact O-N 3.48Å; M114-Y123 HydrophobicContact CE-CE2 3.9Å; M114-Y123 HydrophobicContact SD-CE2 4.21Å; M114-P130 HydrophobicContact CE-CB 4.16Å; M114-V134 HydrophobicContact CB-CG2 3.45Å; M114-V134 VanDerWaalsContact CB-CG2 3.45Å; M114-V134 HydrophobicContact CG-CG2 4.43Å
115I90.7Very high86Confident2 Ų258.1 Ų58.11%0.0133%0.326CS..Hα-helixtrans-62.9-42.1173.4-70.5164000110.8V17 S20 G111 L112 L113 V118 L119 V134 L191V17-I115 HydrophobicContact CB-CG2 4.45Å; V17-I115 HydrophobicContact CG2-CG2 3.68Å; S20-I115 WeakPolarHBondContact OG-CD1 3.43Å; G111-I115 VanDerWaalsContact O-CG1 3.26Å; G111-I115 WeakPolarHBondContact O-CG1 3.5Å; G111-I115 PolarHBondContact O-N 3.16Å; L112-I115 WeakPolarHBondContact O-CB 3.45Å; L112-I115 PolarHBondContact O-N 3.37Å; L113-I115 VanDerWaalsContact C-N 3.33Å; L113-I115 PolarHBondContact O-N 2.85Å; I115-V118 PolarHBondContact O-N 3.37Å; I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 PolarHBondContact O-N 2.98Å; I115-V134 HydrophobicContact CD1-CG1 3.93Å; I115-V134 HydrophobicContact CG1-CG1 3.61Å; I115-L191 HydrophobicContact CD1-CD1 4.38Å; I115-L191 HydrophobicContact CD1-CD2 4.3Å; I115-L191 HydrophobicContact CG1-CD2 4.28Å
116I90.4Very high84Confident71 Ų7165.6 Ų65.636%0.36436%0.357SS..Hα-helixtrans-64.5-42.4176.3-66.7165.5000110.6L112 L113 M114 V118 L119 C120L112-I116 HydrophobicContact CD1-CD1 4.19Å; L112-I116 HydrophobicContact CD1-CG1 4.42Å; L112-I116 HydrophobicContact CG-CD1 3.97Å; L112-I116 WeakPolarHBondContact O-CG1 3.12Å; L112-I116 PolarHBondContact O-N 2.69Å; L113-I116 WeakPolarHBondContact O-CB 3.31Å; L113-I116 PolarHBondContact O-N 2.93Å; L113-I116 VanDerWaalsContact O-N 3.16Å; M114-I116 VanDerWaalsContact C-N 3.34Å; I116-V118 VanDerWaalsContact C-N 3.27Å; I116-V118 PolarHBondContact O-N 3.29Å; I116-L119 WeakPolarHBondContact O-CB 3.43Å; I116-L119 PolarHBondContact O-N 2.89Å; I116-L119 VanDerWaalsContact O-N 3.09Å; I116-C120 PolarHBondContact O-N 2.86Å; I116-C120 PolarHBondContact O-SG 3.24Å; I116-C120 VanDerWaalsContact O-SG 3.38Å
117L88.2Confident82.6Confident45 Ų4565.9 Ų65.924%0.23636%0.356CS..Hα-helixtrans-64.1-32.8176.7-66.8173.5000112.5L113 M114 V122 Y123L113-L117 HydrophobicContact CD1-CG 4.44Å; L113-L117 HydrophobicContact CG-CD1 4.22Å; L113-L117 WeakPolarHBondContact O-CG 3.1Å; L113-L117 PolarHBondContact O-N 3.44Å; M114-L117 PolarHBondContact O-N 3.39Å; M114-L117 HydrophobicContact SD-CD1 4.14Å; L117-V122 HydrophobicContact CD2-CB 4.46Å; L117-V122 HydrophobicContact CD2-CG2 4.35Å; L117-V122 PolarHBondContact O-N 3.1Å; L117-Y123 HydrophobicContact CB-CD2 3.72Å; L117-Y123 HydrophobicContact CB-CE2 3.69Å; L117-Y123 HydrophobicContact CD1-CE2 3.76Å; L117-Y123 HydrophobicContact CG-CE2 4.33Å
118V84.5Confident81.2Confident23 Ų2370.4 Ų70.414%0.13937%0.371CS..Hα-helixtrans-71-38.8171.3171.90000111.3F13 M114 I115 I116 E121 P130F13-V118 HydrophobicContact CE2-CG1 4.19Å; F13-V118 HydrophobicContact CZ-CG1 4.12Å; M114-V118 VanDerWaalsContact O-CG2 3.32Å; M114-V118 WeakPolarHBondContact O-CG2 3.46Å; M114-V118 PolarHBondContact O-N 3.48Å; I115-V118 PolarHBondContact O-N 3.37Å; I116-V118 VanDerWaalsContact C-N 3.27Å; I116-V118 PolarHBondContact O-N 3.29Å; V118-E121 PolarHBondContact O-N 3.24Å; V118-P130 HydrophobicContact CG2-CB 4.36Å
119L84Confident80.3Confident93 Ų9378.1 Ų78.149%0.48740%0.404SS..Hα-helixtrans-63.9-42.1175.9178.479.1000111.8F13 I115 I116 E121F13-L119 HydrophobicContact CD1-CD1 4.41Å; F13-L119 HydrophobicContact CE1-CB 4.2Å; F13-L119 HydrophobicContact CE1-CD1 3.57Å; F13-L119 HydrophobicContact CZ-CB 4.23Å; F13-L119 HydrophobicContact CZ-CD1 4.41Å; I115-L119 WeakPolarHBondContact O-CB 3.34Å; I115-L119 PolarHBondContact O-N 2.98Å; I116-L119 WeakPolarHBondContact O-CB 3.43Å; I116-L119 PolarHBondContact O-N 2.89Å; I116-L119 VanDerWaalsContact O-N 3.09Å; L119-E121 PolarHBondContact O-N 3.27Å
120C84.5Confident79.6Confident82 Ų8275.3 Ų75.355%0.55439%0.39SS*.THydrogen-bonded Turntrans-76.38.1179.3-65.70000113.7I116 V122I116-C120 PolarHBondContact O-N 2.86Å; I116-C120 PolarHBondContact O-SG 3.24Å; I116-C120 VanDerWaalsContact O-SG 3.38Å; C120-V122 HydrophobicContact CB-CG2 3.93Å; C120-V122 PolarHBondContact O-N 3.44Å
121E77.3Confident79Confident153 Ų15374.8 Ų74.872%0.71538%0.382SS*.THydrogen-bonded Turntrans56.316.2-177.8-54.9-167.4148.100115V118 L119 Y123V118-E121 PolarHBondContact O-N 3.24Å; L119-E121 PolarHBondContact O-N 3.27Å; E121-Y123 VanDerWaalsContact C-N 3.29Å; E121-Y123 PolarHBondContact O-N 3.04Å
122V69.2Low78.7Confident98 Ų9880 Ų8059%0.59441%0.405SS*.SBendtrans-63.4-41.1177.8178.50000110L117 C120L117-V122 HydrophobicContact CD2-CB 4.46Å; L117-V122 HydrophobicContact CD2-CG2 4.35Å; L117-V122 PolarHBondContact O-N 3.1Å; C120-V122 HydrophobicContact CB-CG2 3.93Å; C120-V122 PolarHBondContact O-N 3.44Å
123Y61Low78.6Confident92 Ų9282.6 Ų82.636%0.36142%0.421SS..SBendtrans-89.9103.2165.1-67.2-71000108.5M114 L117 E121 T125M114-Y123 HydrophobicContact CE-CE2 3.9Å; M114-Y123 HydrophobicContact SD-CE2 4.21Å; L117-Y123 HydrophobicContact CB-CD2 3.72Å; L117-Y123 HydrophobicContact CB-CE2 3.69Å; L117-Y123 HydrophobicContact CD1-CE2 3.76Å; L117-Y123 HydrophobicContact CG-CE2 4.33Å; E121-Y123 VanDerWaalsContact C-N 3.29Å; E121-Y123 PolarHBondContact O-N 3.04Å; Y123-T125 PolarHBondContact O-N 2.91Å
124G57Low78.5Confident47 Ų4778.1 Ų78.149%0.48540%0.398SS..  trans-49.1132173.100000110.3K126 E127G124-K126 PolarHBondContact O-N 3.25Å; G124-E127 PolarHBondContact O-N 2.98Å
125T59.9Low78.6Confident108 Ų10877.9 Ų77.966%0.66340%0.397SS*.THydrogen-bonded Turntrans-56-3.3-174.858.10000115.3Y123Y123-T125 PolarHBondContact O-N 2.91Å
126K57.5Low78.8Confident183 Ų18379.4 Ų79.480%0.79641%0.413SS*.THydrogen-bonded Turntrans-78.6-29.6-179.6-159.8174.4-178.9-177.60112.8G124 R202G124-K126 PolarHBondContact O-N 3.25Å; K126-R202 PolarHBondContact O-NH2 3.41Å; K126-R202 VanDerWaalsContact O-NH2 3.07Å
127E68.2Low79.1Confident114 Ų11478.1 Ų78.153%0.53341%0.407SS..  trans-82126.7-176.3-62.3-153.817700112.6G124 P130G124-E127 PolarHBondContact O-N 2.98Å; E127-P130 WeakPolarHBondContact O-CD 3.32Å
128R68.7Low79.5Confident112 Ų11276 Ų7642%0.42340%0.395SS..SBendtrans-74.2-27.7176.5-75-176.2173.81512.5113.1H131 F132 E199 R202R128-H131 PolarHBondContact O-N 2.67Å; R128-F132 HydrophobicContact CB-CE2 4.41Å; R128-F132 WeakPolarHBondContact O-CD2 3.38Å; R128-E199 IonicContact CZ-OE1 3.71Å; R128-E199 IonicContact CZ-OE2 3.69Å; R128-E199 IonicContact NE-OE1 3.2Å; R128-E199 IonicContact NE-OE2 3.76Å; R128-E199 PolarHBondContact NE-OE2 3.28Å; R128-E199 IonicContact NH2-OE1 3.79Å; R128-E199 PolarHBondContact NH2-OE1 3.47Å; R128-E199 IonicContact NH2-OE2 2.98Å; R128-E199 PolarHBondContact NH2-OE2 3.04Å; R128-R202 VanDerWaalsContact CG-NH1 3.27Å
129K76.3Confident80Confident161 Ų16177.7 Ų77.770%0.741%0.408SS*.Hα-helixtrans-54.9-48.2-172.4-64.2179.6-178.9174.70114.3H131 F132 V133K129-H131 VanDerWaalsContact C-N 3.33Å; K129-H131 PolarHBondContact O-N 2.98Å; K129-F132 PolarHBondContact O-N 3.19Å; K129-V133 WeakPolarHBondContact O-CG2 3.39Å; K129-V133 PolarHBondContact O-N 2.8Å
130P82.7Confident80.7Confident10 Ų1076.6 Ų76.67%0.06541%0.406CS..Hα-helixtrans-63.8-34.6-175.523.5-34.8000113.2M114 V118 E127 F132 V133 V134M114-P130 HydrophobicContact CE-CB 4.16Å; V118-P130 HydrophobicContact CG2-CB 4.36Å; E127-P130 WeakPolarHBondContact O-CD 3.32Å; P130-F132 PolarHBondContact O-N 3.41Å; P130-V133 PolarHBondContact O-N 3.43Å; P130-V134 VanDerWaalsContact O-CG2 3.25Å; P130-V134 WeakPolarHBondContact O-CG2 3.37Å; P130-V134 PolarHBondContact O-N 2.95Å
131H84.3Confident81.3Confident24 Ų2472.7 Ų72.711%0.11138%0.379CS..Hα-helixtrans-63.3-43.4179.9-69.1-62.2000112.6R128 K129 V134 M135 H194 Y195R128-H131 PolarHBondContact O-N 2.67Å; K129-H131 VanDerWaalsContact C-N 3.33Å; K129-H131 PolarHBondContact O-N 2.98Å; H131-V134 PolarHBondContact O-N 2.96Å; H131-M135 HydrophobicContact CB-CE 4.44Å; H131-M135 WeakPolarHBondContact O-CE 3.3Å; H131-M135 WeakPolarHBondContact O-CG 3.43Å; H131-M135 PolarHBondContact O-N 2.67Å; H131-H194 AromaticContact CE1-CE1 3.82Å; H131-H194 AromaticContact CE1-ND1 3.92Å; H131-Y195 HydrophobicContact CB-CD2 3.92Å; H131-Y195 HydrophobicContact CB-CE2 4.46Å
132F88.7Confident82.3Confident110 Ų11067.2 Ų67.248%0.48236%0.355SS..Hα-helixtrans-66.1-39.3177.4-74.3-72.2000112.3R128 K129 P130 M135 G136 Y195R128-F132 HydrophobicContact CB-CE2 4.41Å; R128-F132 WeakPolarHBondContact O-CD2 3.38Å; K129-F132 PolarHBondContact O-N 3.19Å; P130-F132 PolarHBondContact O-N 3.41Å; F132-M135 HydrophobicContact CD1-CE 3.89Å; F132-M135 HydrophobicContact CE1-CE 4.3Å; F132-M135 HydrophobicContact CG-CE 4.37Å; F132-M135 PolarHBondContact O-N 3.1Å; F132-G136 PolarHBondContact O-N 2.95Å; F132-Y195 HydrophobicContact CE2-CE2 4.06Å; F132-Y195 HydrophobicContact CZ-CE2 4.03Å; F132-Y195 AromaticContact CZ-CZ 3.66Å; F132-Y195 WeakPolarHBondContact CZ-OH 3.46Å
133V91.7Very high83.7Confident75 Ų7565.3 Ų65.346%0.45535%0.349SS..Hα-helixtrans-63.1-46.8177.1175.80000110.6K129 P130 G136 L137K129-V133 WeakPolarHBondContact O-CG2 3.39Å; K129-V133 PolarHBondContact O-N 2.8Å; P130-V133 PolarHBondContact O-N 3.43Å; V133-G136 PolarHBondContact O-N 3.02Å; V133-L137 HydrophobicContact CG1-CD1 3.95Å; V133-L137 HydrophobicContact CG1-CG 4.39Å; V133-L137 WeakPolarHBondContact O-CG 2.86Å; V133-L137 PolarHBondContact O-N 3.46Å
134V92.8Very high85.5Confident5 Ų561.4 Ų61.43%0.0334%0.335CS..Hα-helixtrans-61.1-47.4177.8176.50000111.4M114 I115 P130 H131 G136 L137 Q138 L191M114-V134 HydrophobicContact CB-CG2 3.45Å; M114-V134 VanDerWaalsContact CB-CG2 3.45Å; M114-V134 HydrophobicContact CG-CG2 4.43Å; I115-V134 HydrophobicContact CD1-CG1 3.93Å; I115-V134 HydrophobicContact CG1-CG1 3.61Å; P130-V134 VanDerWaalsContact O-CG2 3.25Å; P130-V134 WeakPolarHBondContact O-CG2 3.37Å; P130-V134 PolarHBondContact O-N 2.95Å; H131-V134 PolarHBondContact O-N 2.96Å; V134-G136 VanDerWaalsContact C-N 3.31Å; V134-G136 PolarHBondContact O-N 2.98Å; V134-L137 PolarHBondContact O-N 3.02Å; V134-Q138 HydrophobicContact CG1-CG 4.5Å; V134-Q138 WeakPolarHBondContact O-CG 2.96Å; V134-Q138 PolarHBondContact O-N 3.26Å; V134-L191 HydrophobicContact CG1-CD1 3.67Å; V134-L191 HydrophobicContact CG1-CD2 4.03Å
135M92.9Very high87.4Confident28 Ų2859.4 Ų59.414%0.13831%0.313CS..Hα-helixtrans-61.9-40.2177.7-71.2-175.9-66.300111.6H131 F132 S139 L191 V192 Y195H131-M135 HydrophobicContact CB-CE 4.44Å; H131-M135 WeakPolarHBondContact O-CE 3.3Å; H131-M135 WeakPolarHBondContact O-CG 3.43Å; H131-M135 PolarHBondContact O-N 2.67Å; F132-M135 HydrophobicContact CD1-CE 3.89Å; F132-M135 HydrophobicContact CE1-CE 4.3Å; F132-M135 HydrophobicContact CG-CE 4.37Å; F132-M135 PolarHBondContact O-N 3.1Å; M135-S139 VanDerWaalsContact O-CB 3.32Å; M135-S139 WeakPolarHBondContact O-CB 3.13Å; M135-S139 PolarHBondContact O-N 3.38Å; M135-S139 PolarHBondContact O-OG 2.95Å; M135-L191 HydrophobicContact CG-CB 4.19Å; M135-V192 HydrophobicContact SD-CG2 4.02Å; M135-Y195 HydrophobicContact CE-CD1 4.47Å; M135-Y195 HydrophobicContact CE-CD2 4.11Å; M135-Y195 HydrophobicContact CE-CG 4.09Å
136G95.1Very high89.2Confident34 Ų3457.6 Ų57.635%0.35130%0.302SS..Hα-helixtrans-61.7-49.8175.400000112.4F132 V133 V134 Q138 S139 V140F132-G136 PolarHBondContact O-N 2.95Å; V133-G136 PolarHBondContact O-N 3.02Å; V134-G136 VanDerWaalsContact C-N 3.31Å; V134-G136 PolarHBondContact O-N 2.98Å; G136-Q138 PolarHBondContact O-N 3.44Å; G136-S139 PolarHBondContact O-N 2.89Å; G136-V140 WeakPolarHBondContact O-CG2 3.1Å; G136-V140 PolarHBondContact O-N 3.35Å
137L96.5Very high91.1Very high43 Ų4351.9 Ų51.923%0.22528%0.282CS..Hα-helixtrans-59-45.9178.2-72.3170.1000112A110 V133 V134 S139 V140 A141A110-L137 HydrophobicContact CB-CD1 4.14Å; V133-L137 HydrophobicContact CG1-CD1 3.95Å; V133-L137 HydrophobicContact CG1-CG 4.39Å; V133-L137 WeakPolarHBondContact O-CG 2.86Å; V133-L137 PolarHBondContact O-N 3.46Å; V134-L137 PolarHBondContact O-N 3.02Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 3.26Å; L137-V140 PolarHBondContact O-N 2.82Å; L137-A141 PolarHBondContact O-N 3.32Å
138Q96.2Very high92.5Very high0 Ų046.6 Ų46.60%026%0.258CS..Hα-helixtrans-67.7-34178.1-65.2-61.7-15.100112.2N108 V134 G136 A141 L142 T184 I188 L191N108-Q138 PolarHBondContact ND2-OE1 3.45Å; V134-Q138 HydrophobicContact CG1-CG 4.5Å; V134-Q138 WeakPolarHBondContact O-CG 2.96Å; V134-Q138 PolarHBondContact O-N 3.26Å; G136-Q138 PolarHBondContact O-N 3.44Å; Q138-A141 PolarHBondContact O-N 3Å; Q138-L142 WeakPolarHBondContact O-CB 3.19Å; Q138-L142 PolarHBondContact O-N 3.18Å; Q138-T184 HydrophobicContact CB-CG2 4.4Å; Q138-I188 HydrophobicContact CB-CD1 4.16Å; Q138-I188 HydrophobicContact CB-CG1 3.73Å; Q138-L191 HydrophobicContact CG-CD1 4.11Å
139S96.6Very high93.9Very high59 Ų5943.1 Ų43.141%0.41325%0.247SC..Hα-helixtrans-67.2-40.9175.9-580000112M135 G136 L137 L142 A143M135-S139 VanDerWaalsContact O-CB 3.32Å; M135-S139 WeakPolarHBondContact O-CB 3.13Å; M135-S139 PolarHBondContact O-N 3.38Å; M135-S139 PolarHBondContact O-OG 2.95Å; G136-S139 PolarHBondContact O-N 2.89Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 3.26Å; S139-L142 PolarHBondContact O-N 3.24Å; S139-A143 PolarHBondContact O-N 2.9Å
140V97.7Very high94.9Very high70 Ų7040.1 Ų40.142%0.42424%0.238SC..Hα-helixtrans-64-45.7174.1174.10000110.4I103 G136 L137 L142 A143 C144I103-V140 HydrophobicContact CG2-CG1 4.34Å; G136-V140 WeakPolarHBondContact O-CG2 3.1Å; G136-V140 PolarHBondContact O-N 3.35Å; L137-V140 PolarHBondContact O-N 2.82Å; V140-L142 VanDerWaalsContact C-N 3.33Å; V140-L142 PolarHBondContact O-N 2.98Å; V140-A143 PolarHBondContact O-N 2.76Å; V140-C144 PolarHBondContact O-N 3.41Å; V140-C144 PolarHBondContact O-SG 3.48Å; V140-C144 VanDerWaalsContact O-SG 3.35Å
141A97.8Very high95.5Very high0 Ų041.7 Ų41.70%025%0.245CC..Hα-helixtrans-58.1-45175.900000111.9C107 N108 L137 Q138 A143 C144 F145C107-A141 HydrophobicContact CB-CB 3.97Å; N108-A141 HydrophobicContact CB-CB 4.33Å; L137-A141 PolarHBondContact O-N 3.32Å; Q138-A141 PolarHBondContact O-N 3Å; A141-A143 PolarHBondContact O-N 3.44Å; A141-C144 PolarHBondContact O-N 2.93Å; A141-F145 HydrophobicContact CB-CE2 4.35Å; A141-F145 WeakPolarHBondContact O-CD2 3.33Å; A141-F145 PolarHBondContact O-N 3.38Å
142L98.1Very high96Very high39 Ų3940.6 Ų40.620%0.20424%0.24CC..Hα-helixtrans-60.4-45.2176.3-179.761.2000112.1Q138 S139 V140 C144 F145 V146 T184 I185 I188Q138-L142 WeakPolarHBondContact O-CB 3.19Å; Q138-L142 PolarHBondContact O-N 3.18Å; S139-L142 PolarHBondContact O-N 3.24Å; V140-L142 VanDerWaalsContact C-N 3.33Å; V140-L142 PolarHBondContact O-N 2.98Å; L142-C144 VanDerWaalsContact C-N 3.32Å; L142-C144 PolarHBondContact O-N 3.24Å; L142-F145 PolarHBondContact O-N 3.43Å; L142-V146 HydrophobicContact CD1-CG2 4.36Å; L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.75Å; L142-T184 HydrophobicContact CB-CG2 4.01Å; L142-I185 HydrophobicContact CD1-CD1 4.23Å; L142-I185 HydrophobicContact CD1-CG1 3.65Å; L142-I185 HydrophobicContact CD2-CG1 3.91Å; L142-I185 HydrophobicContact CG-CG1 4.47Å; L142-I188 HydrophobicContact CB-CD1 4.13Å; L142-I188 HydrophobicContact CD2-CD1 3.8Å
143A98.1Very high96.2Very high57 Ų5736.3 Ų36.347%0.47123%0.227SC..Hα-helixtrans-59.7-43.6177.100000111.4S139 V140 A141 V146 V147S139-A143 PolarHBondContact O-N 2.9Å; V140-A143 PolarHBondContact O-N 2.76Å; A141-A143 PolarHBondContact O-N 3.44Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V147 WeakPolarHBondContact O-CG2 3.49Å; A143-V147 PolarHBondContact O-N 2.89Å; A143-V147 VanDerWaalsContact O-N 3.16Å
144C98Very high96.3Very high11 Ų1137.3 Ų37.37%0.07423%0.233CC..Hα-helixtrans-61.3-46.6174.7-670000112L100 V140 A141 L142 V146 V147 V148L100-C144 HydrophobicContact CB-CB 4.47Å; V140-C144 PolarHBondContact O-N 3.41Å; V140-C144 PolarHBondContact O-SG 3.48Å; V140-C144 VanDerWaalsContact O-SG 3.35Å; A141-C144 PolarHBondContact O-N 2.93Å; L142-C144 VanDerWaalsContact C-N 3.32Å; L142-C144 PolarHBondContact O-N 3.24Å; C144-V146 VanDerWaalsContact C-N 3.34Å; C144-V146 PolarHBondContact O-N 2.85Å; C144-V147 PolarHBondContact O-N 3.38Å; C144-V148 WeakPolarHBondContact O-CB 3.26Å; C144-V148 VanDerWaalsContact O-CG2 3.32Å; C144-V148 WeakPolarHBondContact O-CG2 3.17Å; C144-V148 PolarHBondContact O-N 3.39Å
145F97.7Very high96.3Very high4 Ų439.3 Ų39.32%0.01824%0.243CC..Hα-helixtrans-58.1-45.3177.3-73.7-53.3000112.1N27 A141 L142 V147 V148 I149 A180N27-F145 HydrophobicContact CB-CE1 4.45Å; N27-F145 HydrophobicContact CB-CZ 4.04Å; N27-F145 WeakPolarHBondContact ND2-CZ 3.25Å; N27-F145 WeakPolarHBondContact OD1-CE1 3.22Å; A141-F145 HydrophobicContact CB-CE2 4.35Å; A141-F145 WeakPolarHBondContact O-CD2 3.33Å; A141-F145 PolarHBondContact O-N 3.38Å; L142-F145 PolarHBondContact O-N 3.43Å; F145-V147 VanDerWaalsContact C-N 3.33Å; F145-V147 PolarHBondContact O-N 3.27Å; F145-V148 PolarHBondContact O-N 2.89Å; F145-I149 HydrophobicContact CB-CD1 4.27Å; F145-I149 VanDerWaalsContact O-CB 3.31Å; F145-I149 WeakPolarHBondContact O-CB 3.37Å; F145-I149 VanDerWaalsContact O-CD1 3.31Å; F145-I149 WeakPolarHBondContact O-CD1 3.13Å; F145-I149 WeakPolarHBondContact O-CG1 3.44Å; F145-I149 PolarHBondContact O-N 3.41Å; F145-A180 HydrophobicContact CE1-CB 3.91Å; F145-A180 HydrophobicContact CE2-CB 4.27Å; F145-A180 HydrophobicContact CZ-CB 3.71Å
146V97.9Very high96.1Very high71 Ų7138.3 Ų38.343%0.4324%0.239SC..Hα-helixtrans-58-47.7178.9170.30000110.6L142 A143 C144 I150L142-V146 HydrophobicContact CD1-CG2 4.36Å; L142-V146 WeakPolarHBondContact O-CG2 3.4Å; L142-V146 PolarHBondContact O-N 2.75Å; A143-V146 PolarHBondContact O-N 2.92Å; C144-V146 VanDerWaalsContact C-N 3.34Å; C144-V146 PolarHBondContact O-N 2.85Å; V146-I150 HydrophobicContact CG1-CD1 3.66Å; V146-I150 WeakPolarHBondContact O-CB 3.49Å; V146-I150 WeakPolarHBondContact O-CD1 3.32Å; V146-I150 WeakPolarHBondContact O-CG1 3.47Å; V146-I150 PolarHBondContact O-N 2.99Å
147V97.8Very high95.7Very high63 Ų6343.7 Ų43.738%0.38225%0.252SS..Hα-helixtrans-65.5-44.9179.4177.90000111.4L100 A143 C144 F145 I149 I150 L151L100-V147 HydrophobicContact CD1-CB 3.99Å; L100-V147 HydrophobicContact CD1-CG1 3.45Å; L100-V147 VanDerWaalsContact CD1-CG1 3.45Å; A143-V147 WeakPolarHBondContact O-CG2 3.49Å; A143-V147 PolarHBondContact O-N 2.89Å; A143-V147 VanDerWaalsContact O-N 3.16Å; C144-V147 PolarHBondContact O-N 3.38Å; F145-V147 VanDerWaalsContact C-N 3.33Å; F145-V147 PolarHBondContact O-N 3.27Å; V147-I149 PolarHBondContact O-N 3.35Å; V147-I150 PolarHBondContact O-N 3.49Å; V147-L151 HydrophobicContact CG1-CD1 3.7Å; V147-L151 HydrophobicContact CG1-CG 4.15Å; V147-L151 WeakPolarHBondContact O-CB 3.32Å; V147-L151 WeakPolarHBondContact O-CG 3.31Å; V147-L151 PolarHBondContact O-N 3.5Å
148V97.6Very high95.4Very high2 Ų244.2 Ų44.21%0.01226%0.255CS..Hα-helixtrans-59.6-47.6177.9164.60000111.5W36 V97 L100 C144 F145 I150 M152W36-V148 HydrophobicContact CH2-CG1 3.92Å; W36-V148 HydrophobicContact CZ3-CG1 4.14Å; V97-V148 HydrophobicContact CG1-CG1 3.97Å; V97-V148 HydrophobicContact CG1-CG2 4.45Å; L100-V148 HydrophobicContact CB-CG2 3.58Å; L100-V148 HydrophobicContact CD1-CG2 4.39Å; C144-V148 WeakPolarHBondContact O-CB 3.26Å; C144-V148 VanDerWaalsContact O-CG2 3.32Å; C144-V148 WeakPolarHBondContact O-CG2 3.17Å; C144-V148 PolarHBondContact O-N 3.39Å; F145-V148 PolarHBondContact O-N 2.89Å; V148-I150 PolarHBondContact O-N 3.23Å; V148-M152 VanDerWaalsContact O-CB 3.24Å; V148-M152 WeakPolarHBondContact O-CB 3.44Å; V148-M152 PolarHBondContact O-N 2.86Å
149I97Very high94.9Very high39 Ų3954.3 Ų54.320%0.229%0.294CS..Hα-helixtrans-63.9-43-179.1-68.6161.6000110.5F145 V147 G153 F174 V178F145-I149 HydrophobicContact CB-CD1 4.27Å; F145-I149 VanDerWaalsContact O-CB 3.31Å; F145-I149 WeakPolarHBondContact O-CB 3.37Å; F145-I149 VanDerWaalsContact O-CD1 3.31Å; F145-I149 WeakPolarHBondContact O-CD1 3.13Å; F145-I149 WeakPolarHBondContact O-CG1 3.44Å; F145-I149 PolarHBondContact O-N 3.41Å; V147-I149 PolarHBondContact O-N 3.35Å; I149-G153 WeakPolarHBondContact O-CA 3.37Å; I149-G153 PolarHBondContact O-N 3.28Å; I149-F174 HydrophobicContact CG2-CE2 4.29Å; I149-F174 HydrophobicContact CG2-CZ 3.95Å; I149-V178 HydrophobicContact CD1-CB 4.34Å; I149-V178 HydrophobicContact CD1-CG2 4Å; I149-V178 HydrophobicContact CG1-CG2 3.96Å; I149-V178 HydrophobicContact CG2-CG2 3.93Å
150I96.9Very high94.4Very high99 Ų9959.6 Ų59.651%0.50831%0.312SS..Hα-helixtrans-66.3-51.6178.7-68.6167.9000110.6V146 V147 V148 M152 G153 V154V146-I150 HydrophobicContact CG1-CD1 3.66Å; V146-I150 WeakPolarHBondContact O-CB 3.49Å; V146-I150 WeakPolarHBondContact O-CD1 3.32Å; V146-I150 WeakPolarHBondContact O-CG1 3.47Å; V146-I150 PolarHBondContact O-N 2.99Å; V147-I150 PolarHBondContact O-N 3.49Å; V148-I150 PolarHBondContact O-N 3.23Å; I150-M152 PolarHBondContact O-N 3.49Å; I150-G153 PolarHBondContact O-N 3.16Å; I150-V154 HydrophobicContact CG2-CG2 4.43Å; I150-V154 WeakPolarHBondContact O-CB 3.19Å; I150-V154 WeakPolarHBondContact O-CG2 3.42Å; I150-V154 PolarHBondContact O-N 3.41Å
151L96.3Very high93.9Very high43 Ų4356.8 Ų56.823%0.22529%0.294CS..Hα-helixtrans-58.1-49.9-179.3-75.9175.3000110.8L96 V97 V147 V154 M155L96-L151 HydrophobicContact CD2-CD1 3.83Å; L96-L151 HydrophobicContact CG-CD1 4.22Å; V97-L151 HydrophobicContact CG2-CB 3.79Å; V97-L151 HydrophobicContact CG2-CD1 4.02Å; V147-L151 HydrophobicContact CG1-CD1 3.7Å; V147-L151 HydrophobicContact CG1-CG 4.15Å; V147-L151 WeakPolarHBondContact O-CB 3.32Å; V147-L151 WeakPolarHBondContact O-CG 3.31Å; V147-L151 PolarHBondContact O-N 3.5Å; L151-V154 PolarHBondContact O-N 3.38Å; L151-M155 VanDerWaalsContact O-CB 3.23Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 VanDerWaalsContact O-CG 3.25Å; L151-M155 WeakPolarHBondContact O-CG 3.48Å; L151-M155 PolarHBondContact O-N 3.02Å
152M94.2Very high93.4Very high0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-67.1-39.7179.9-169.161.3162.700111.9W36 I37 L50 W93 F94 V148 I150 V154 S156 F174W36-M152 HydrophobicContact CB-CE 3.83Å; W36-M152 HydrophobicContact CD2-CE 4.47Å; W36-M152 HydrophobicContact CE3-CE 3.88Å; W36-M152 HydrophobicContact CE3-CG 3.9Å; W36-M152 HydrophobicContact CZ3-CB 4.46Å; W36-M152 HydrophobicContact CZ3-CG 4.1Å; I37-M152 HydrophobicContact CD1-CE 3.48Å; I37-M152 VanDerWaalsContact CD1-CE 3.48Å; I37-M152 HydrophobicContact CD1-SD 4.41Å; I37-M152 HydrophobicContact CG1-CE 3.49Å; I37-M152 VanDerWaalsContact CG1-CE 3.49Å; L50-M152 HydrophobicContact CD2-CE 4.15Å; W93-M152 HydrophobicContact CH2-SD 4.36Å; W93-M152 HydrophobicContact CZ3-SD 4.14Å; F94-M152 HydrophobicContact CE2-CE 4.3Å; F94-M152 HydrophobicContact CE2-SD 4.42Å; V148-M152 VanDerWaalsContact O-CB 3.24Å; V148-M152 WeakPolarHBondContact O-CB 3.44Å; V148-M152 PolarHBondContact O-N 2.86Å; I150-M152 PolarHBondContact O-N 3.49Å; M152-V154 VanDerWaalsContact C-N 3.33Å; M152-V154 PolarHBondContact O-N 2.85Å; M152-S156 WeakPolarHBondContact O-CB 3.38Å; M152-S156 PolarHBondContact O-N 3.41Å; M152-S156 PolarHBondContact O-OG 2.92Å; M152-F174 HydrophobicContact CB-CD2 4.22Å; M152-F174 HydrophobicContact CB-CE2 3.96Å; M152-F174 HydrophobicContact CG-CD2 3.91Å; M152-F174 HydrophobicContact CG-CE2 4.1Å
153G93.4Very high92.6Very high21 Ų2157 Ų5722%0.21630%0.297CS..Hα-helixtrans-64.6-33.6179.100000114.1I149 I150 S156I149-G153 WeakPolarHBondContact O-CA 3.37Å; I149-G153 PolarHBondContact O-N 3.28Å; I150-G153 PolarHBondContact O-N 3.16Å; G153-S156 PolarHBondContact O-OG 3.23Å
154V93.1Very high91.8Very high96 Ų9659.7 Ų59.758%0.58230%0.295SS*.Hα-helixtrans-83.8-53.2177.8176.20000110.9I150 L151 M152 S156 K157I150-V154 HydrophobicContact CG2-CG2 4.43Å; I150-V154 WeakPolarHBondContact O-CB 3.19Å; I150-V154 WeakPolarHBondContact O-CG2 3.42Å; I150-V154 PolarHBondContact O-N 3.41Å; L151-V154 PolarHBondContact O-N 3.38Å; M152-V154 VanDerWaalsContact C-N 3.33Å; M152-V154 PolarHBondContact O-N 2.85Å; V154-S156 PolarHBondContact O-N 3.5Å; V154-K157 PolarHBondContact O-N 3.31Å
155M92.7Very high91Very high46 Ų4660.6 Ų60.623%0.22730%0.301CS..Hα-helixtrans-76.8-20-171.6-58.9-57.1-66.600113.7W93 L151 K157 D158W93-M155 HydrophobicContact CD2-CB 3.73Å; W93-M155 HydrophobicContact CD2-CE 4.25Å; W93-M155 HydrophobicContact CD2-CG 3.75Å; W93-M155 HydrophobicContact CE3-CB 3.71Å; W93-M155 HydrophobicContact CE3-CG 3.88Å; W93-M155 HydrophobicContact CG-CE 4.02Å; W93-M155 HydrophobicContact CG-CG 4.11Å; W93-M155 HydrophobicContact CH2-CB 3.47Å; W93-M155 VanDerWaalsContact CH2-CB 3.47Å; W93-M155 HydrophobicContact CH2-CG 4.5Å; W93-M155 HydrophobicContact CZ2-CB 3.49Å; W93-M155 VanDerWaalsContact CZ2-CB 3.49Å; W93-M155 HydrophobicContact CZ2-CG 4.39Å; W93-M155 HydrophobicContact CZ3-CB 3.61Å; W93-M155 HydrophobicContact CZ3-CG 4.28Å; L151-M155 VanDerWaalsContact O-CB 3.23Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 VanDerWaalsContact O-CG 3.25Å; L151-M155 WeakPolarHBondContact O-CG 3.48Å; L151-M155 PolarHBondContact O-N 3.02Å; M155-K157 PolarHBondContact O-N 3.08Å; M155-K157 VanDerWaalsContact O-N 3.17Å; M155-D158 WeakPolarHBondContact CE-OD2 3.5Å; M155-D158 WeakPolarHBondContact O-CB 3.41Å; M155-D158 PolarHBondContact O-N 3.49Å
156S89.5Confident90.4Very high8 Ų866.2 Ų66.26%0.05633%0.331CS..THydrogen-bonded Turntrans-62.1-19.1172.153.50000113.9M152 G153 V154 L170M152-S156 WeakPolarHBondContact O-CB 3.38Å; M152-S156 PolarHBondContact O-N 3.41Å; M152-S156 PolarHBondContact O-OG 2.92Å; G153-S156 PolarHBondContact O-OG 3.23Å; V154-S156 PolarHBondContact O-N 3.5Å; S156-L170 WeakPolarHBondContact OG-CD1 3.49Å
157K87Confident89.8Confident146 Ų14665 Ų6564%0.63532%0.322SS*.THydrogen-bonded Turntrans-97.34.2176-62.8-168.7-178.866.70113.2V154 M155V154-K157 PolarHBondContact O-N 3.31Å; M155-K157 PolarHBondContact O-N 3.08Å; M155-K157 VanDerWaalsContact O-N 3.17Å
158D89.5Confident89.4Confident54 Ų5463 Ų6329%0.28931%0.309SS..  trans-66.7137.3178.3-164.3-5.3000110.3M155 E160M155-D158 WeakPolarHBondContact CE-OD2 3.5Å; M155-D158 WeakPolarHBondContact O-CB 3.41Å; M155-D158 PolarHBondContact O-N 3.49Å; D158-E160 PolarHBondContact OD1-N 3.32Å
159R85.8Confident89.1Confident212 Ų21267 Ų6780%0.833%0.329SS*.THydrogen-bonded Turntrans-83.8-17.6-175.8-60.2-176176.9-175.5-0.9113.5P165R159-P165 HydrophobicContact CB-CG 4.31Å; R159-P165 HydrophobicContact CG-CG 4.05Å
160E86.1Confident88.9Confident170 Ų17067.7 Ų67.779%0.79433%0.333SS*.THydrogen-bonded Turntrans-91.1-21.4-174.7-61.5-177.2177.400112.6D158D158-E160 PolarHBondContact OD1-N 3.32Å
161W88.5Confident88.7Confident11 Ų1164.4 Ų64.44%0.04232%0.318CS..THydrogen-bonded Turntrans-89.6-49.1-171179.942.7000114.6I37 L50 W88 L89 P91 W93 F94I37-W161 HydrophobicContact CD1-CH2 4.42Å; I37-W161 HydrophobicContact CD1-CZ3 3.81Å; L50-W161 HydrophobicContact CD1-CH2 4Å; L50-W161 HydrophobicContact CD1-CZ2 4.01Å; L50-W161 HydrophobicContact CD2-CH2 4.02Å; W88-W161 WeakPolarHBondContact CZ2-O 3.26Å; W88-W161 PolarHBondContact NE1-O 3.08Å; W88-W161 PolarHBondContact O-NE1 3.46Å; W88-W161 VanDerWaalsContact O-NE1 3.16Å; L89-W161 WeakPolarHBondContact O-CZ2 3.31Å; L89-W161 PolarHBondContact O-NE1 3.49Å; L89-W161 VanDerWaalsContact O-NE1 3.16Å; P91-W161 HydrophobicContact CG-CD2 4.23Å; P91-W161 HydrophobicContact CG-CG 4.12Å; P91-W161 HydrophobicContact CG-CZ2 4.28Å; W93-W161 HydrophobicContact CH2-CD2 4.05Å; W93-W161 AromaticContact CH2-CE3 3.49Å; W93-W161 HydrophobicContact CH2-CE3 3.49Å; W93-W161 VanDerWaalsContact CH2-CE3 3.49Å; W93-W161 AromaticContact CH2-CH2 3.41Å; W93-W161 HydrophobicContact CH2-CH2 3.41Å; W93-W161 VanDerWaalsContact CH2-CH2 3.41Å; W93-W161 HydrophobicContact CH2-CZ2 4.01Å; W93-W161 AromaticContact CH2-CZ3 3.15Å; W93-W161 HydrophobicContact CH2-CZ3 3.15Å; W93-W161 AromaticContact CZ2-CD2 3.42Å; W93-W161 HydrophobicContact CZ2-CD2 3.42Å; W93-W161 VanDerWaalsContact CZ2-CD2 3.42Å; W93-W161 AromaticContact CZ2-CE2 3.83Å; W93-W161 AromaticContact CZ2-CE3 3.23Å; W93-W161 HydrophobicContact CZ2-CE3 3.23Å; W93-W161 HydrophobicContact CZ2-CG 4.08Å; W93-W161 AromaticContact CZ2-CH2 3.79Å; W93-W161 HydrophobicContact CZ2-CH2 3.79Å; W93-W161 AromaticContact CZ2-CZ2 3.99Å; W93-W161 HydrophobicContact CZ2-CZ2 3.99Å; W93-W161 AromaticContact CZ2-CZ3 3.46Å; W93-W161 HydrophobicContact CZ2-CZ3 3.46Å; W93-W161 VanDerWaalsContact CZ2-CZ3 3.46Å; W93-W161 HydrophobicContact CZ3-CH2 4.37Å; W93-W161 HydrophobicContact CZ3-CZ3 4.37Å; F94-W161 HydrophobicContact CB-CH2 4.47Å; F94-W161 HydrophobicContact CB-CZ2 4.1Å; F94-W161 HydrophobicContact CD1-CZ2 4.05Å; F94-W161 AromaticContact CD2-CH2 3.71Å; F94-W161 HydrophobicContact CD2-CH2 3.71Å; F94-W161 HydrophobicContact CD2-CZ2 4.02Å; F94-W161 HydrophobicContact CE2-CH2 4.03Å; F94-W161 HydrophobicContact CE2-CZ2 4.5Å; F94-W161 AromaticContact CG-CH2 3.98Å; F94-W161 HydrophobicContact CG-CH2 3.98Å; F94-W161 AromaticContact CG-CZ2 3.78Å; F94-W161 HydrophobicContact CG-CZ2 3.78Å
162L85.9Confident88.6Confident6 Ų667.7 Ų67.73%0.03133%0.328CS..SBendtrans-116.8142-178.4-77.3169.1000110.7I37 F47 L50 R164I37-L162 HydrophobicContact CD1-CD1 3.73Å; I37-L162 HydrophobicContact CG2-CD1 4.3Å; F47-L162 HydrophobicContact CD2-CD2 3.92Å; F47-L162 HydrophobicContact CE2-CD2 3.79Å; F47-L162 HydrophobicContact CG-CD2 4.42Å; F47-L162 HydrophobicContact CZ-CD1 4.24Å; F47-L162 HydrophobicContact CZ-CD2 4.19Å; L50-L162 HydrophobicContact CD1-CD2 4.38Å; L162-R164 PolarHBondContact O-N 3.46Å
163P82.3Confident88.7Confident37 Ų3767.7 Ų67.724%0.2433%0.328CS..SBendtrans-64.9137.7178.529.7-34.5000109.5F47 F60 N168F47-P163 HydrophobicContact CB-CG 3.71Å; F60-P163 HydrophobicContact CE2-CB 4.19Å; F60-P163 HydrophobicContact CE2-CG 3.88Å; F60-P163 HydrophobicContact CZ-CG 4.33Å; P163-N168 PolarHBondContact O-ND2 3.2Å; P163-N168 VanDerWaalsContact O-ND2 3.08Å
164R80.1Confident88.8Confident114 Ų11468.1 Ų68.143%0.4332%0.324SS..SBendtrans51.961.9177.6-62.9-173.1-89.4177.5-10.1112.5N44 L45 L162 D166 L167 N168N44-R164 PolarHBondContact OD1-NH1 3.2Å; N44-R164 VanDerWaalsContact OD1-NH1 3.07Å; L45-R164 PolarHBondContact O-NH2 3.36Å; L162-R164 PolarHBondContact O-N 3.46Å; R164-D166 WeakPolarHBondContact CA-OD1 3.4Å; R164-D166 PolarHBondContact O-N 3.1Å; R164-D166 VanDerWaalsContact O-N 3.14Å; R164-L167 HydrophobicContact CB-CB 4.34Å; R164-L167 HydrophobicContact CB-CD1 4.07Å; R164-L167 HydrophobicContact CB-CG 4.26Å; R164-L167 PolarHBondContact O-N 3.49Å; R164-N168 PolarHBondContact O-ND2 3.24Å
165P82Confident88.9Confident31 Ų3165.8 Ų65.820%0.20132%0.315CS..G310 helixtrans-60.3-24.2-178.131.7-42.3000113.1R159 L167 N168R159-P165 HydrophobicContact CB-CG 4.31Å; R159-P165 HydrophobicContact CG-CG 4.05Å; P165-L167 PolarHBondContact O-N 3.18Å; P165-N168 PolarHBondContact O-N 3.11Å
166D84Confident89.2Confident122 Ų12266.5 Ų66.565%0.65232%0.317SS*.G310 helixtrans-65.7-27.3174.960.3-52.1000112.9R164R164-D166 WeakPolarHBondContact CA-OD1 3.4Å; R164-D166 PolarHBondContact O-N 3.1Å; R164-D166 VanDerWaalsContact O-N 3.14Å
167L85.6Confident89.5Confident44 Ų4466.3 Ų66.323%0.2332%0.315CS..G310 helixtrans-92.7-5.1175.5-58.7-179.3000112.5S39 K40 N44 R164 P165S39-L167 CarbonylContact C-O 3.57Å; K40-L167 WeakPolarHBondContact CB-O 3.47Å; K40-L167 PolarHBondContact N-O 2.97Å; N44-L167 WeakPolarHBondContact OD1-CD1 3.42Å; R164-L167 HydrophobicContact CB-CB 4.34Å; R164-L167 HydrophobicContact CB-CD1 4.07Å; R164-L167 HydrophobicContact CB-CG 4.26Å; R164-L167 PolarHBondContact O-N 3.49Å; P165-L167 PolarHBondContact O-N 3.18Å
168N89.5Confident90Very high22 Ų2262.1 Ų62.112%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-96.1133.1-176.9-64.7-25.9000110.8I37 F47 P163 R164 P165I37-N168 HydrophobicContact CG2-CB 3.8Å; F47-N168 WeakPolarHBondContact CD1-OD1 3.26Å; P163-N168 PolarHBondContact O-ND2 3.2Å; P163-N168 VanDerWaalsContact O-ND2 3.08Å; R164-N168 PolarHBondContact O-ND2 3.24Å; P165-N168 PolarHBondContact O-N 3.11Å
169M91.3Very high90.4Very high86 Ų8663 Ų6342%0.42431%0.306SS..EExtended strand (participates in β ladder)trans-122141.7179.8-60.6-166.3175.500110.6I37 V38 K40 S171I37-M169 CarbonylContact C-O 3.57Å; I37-M169 WeakPolarHBondContact CA-O 3.26Å; V38-M169 PolarHBondContact N-O 2.95Å; V38-M169 PolarHBondContact O-N 3.39Å; K40-M169 HydrophobicContact CB-CE 3.94Å; K40-M169 HydrophobicContact CB-SD 4.47Å; K40-M169 HydrophobicContact CD-CE 3.32Å; K40-M169 VanDerWaalsContact CE-CE 3.49Å; K40-M169 HydrophobicContact CG-CE 3.5Å; K40-M169 HydrophobicContact CG-SD 4.2Å; M169-S171 PolarHBondContact O-N 3.41Å
170L92.8Very high91Very high54 Ų5452.9 Ų52.928%0.28327%0.268SS..EExtended strand (participates in β ladder)trans-68.4127.6166.8-65.385.5000108.2W36 S156 F174W36-L170 WeakPolarHBondContact O-CA 3.43Å; S156-L170 WeakPolarHBondContact OG-CD1 3.49Å; L170-F174 HydrophobicContact CB-CB 4.34Å; L170-F174 HydrophobicContact CB-CD1 4.02Å; L170-F174 HydrophobicContact CB-CG 4.26Å; L170-F174 HydrophobicContact CD2-CB 4.36Å; L170-F174 HydrophobicContact CD2-CD1 3.49Å; L170-F174 VanDerWaalsContact CD2-CD1 3.49Å; L170-F174 HydrophobicContact CD2-CD2 3.72Å; L170-F174 HydrophobicContact CD2-CE1 3.53Å; L170-F174 HydrophobicContact CD2-CE2 3.76Å; L170-F174 HydrophobicContact CD2-CG 3.58Å; L170-F174 HydrophobicContact CD2-CZ 3.66Å; L170-F174 HydrophobicContact CG-CD1 4.4Å; L170-F174 HydrophobicContact CG-CG 4.49Å
171S93.7Very high91.5Very high30 Ų3045 Ų4521%0.2123%0.233CC..  trans-106.2-170.3-173.7-174.20000111.1F35 W36 V38 M169 S173 F174 A175F35-S171 CarbonylContact O-C 3.51Å; F35-S171 WeakPolarHBondContact O-CB 3.34Å; W36-S171 PolarHBondContact O-N 3.19Å; V38-S171 VanDerWaalsContact CG2-CB 3.41Å; M169-S171 PolarHBondContact O-N 3.41Å; S171-S173 VanDerWaalsContact C-N 3.3Å; S171-S173 PolarHBondContact O-N 3.06Å; S171-F174 PolarHBondContact O-N 2.69Å; S171-A175 PolarHBondContact O-N 2.85Å
172W94.4Very high91.9Very high111 Ų11149.7 Ų49.742%0.4225%0.253SS..Hα-helixtrans-62.6-31.1-165.858.2-91.3000113.6I29 S33 F35 F174 A175 F176I29-W172 HydrophobicContact CG2-CE3 4.36Å; I29-W172 HydrophobicContact CG2-CZ3 3.59Å; S33-W172 WeakPolarHBondContact OG-CH2 3.32Å; S33-W172 WeakPolarHBondContact OG-CZ2 3.38Å; S33-W172 WeakPolarHBondContact OG-CZ3 3.02Å; F35-W172 HydrophobicContact CB-CD2 4.32Å; F35-W172 HydrophobicContact CB-CG 4.46Å; F35-W172 HydrophobicContact CB-CZ2 4.12Å; F35-W172 AromaticContact CD1-NE1 3.9Å; F35-W172 AromaticContact CD2-CE2 3.6Å; F35-W172 HydrophobicContact CD2-CH2 4.32Å; F35-W172 AromaticContact CD2-CZ2 3.26Å; F35-W172 HydrophobicContact CD2-CZ2 3.26Å; F35-W172 AromaticContact CD2-NE1 3.58Å; F35-W172 AromaticContact CE2-CZ2 3.83Å; F35-W172 HydrophobicContact CE2-CZ2 3.83Å; F35-W172 AromaticContact CG-CE2 3.77Å; F35-W172 AromaticContact CG-CZ2 3.94Å; F35-W172 HydrophobicContact CG-CZ2 3.94Å; F35-W172 AromaticContact CG-NE1 3.31Å; F35-W172 VanDerWaalsContact CG-NE1 3.31Å; W172-F174 VanDerWaalsContact C-N 3.3Å; W172-F174 PolarHBondContact O-N 2.97Å; W172-A175 WeakPolarHBondContact O-CA 3.34Å; W172-A175 VanDerWaalsContact O-CB 3.31Å; W172-A175 WeakPolarHBondContact O-CB 3.43Å; W172-A175 PolarHBondContact O-N 2.83Å; W172-F176 AromaticContact CE3-CD2 3.61Å; W172-F176 HydrophobicContact CE3-CD2 3.61Å; W172-F176 AromaticContact CE3-CE2 3.6Å; W172-F176 HydrophobicContact CE3-CE2 3.6Å; W172-F176 HydrophobicContact CZ3-CD2 4.17Å; W172-F176 HydrophobicContact CZ3-CE2 4.11Å; W172-F176 VanDerWaalsContact O-CD2 3.27Å; W172-F176 WeakPolarHBondContact O-CD2 3.35Å; W172-F176 PolarHBondContact O-N 3.34Å
173S95Very high92.5Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-63.7-37.7179.7-46.40000112.3S33 F35 S171 A175 F176 A177S33-S173 WeakPolarHBondContact CB-OG 3.42Å; S33-S173 PolarHBondContact OG-OG 3.4Å; F35-S173 WeakPolarHBondContact CA-OG 3.24Å; F35-S173 PolarHBondContact N-OG 3.16Å; F35-S173 VanDerWaalsContact O-CB 3.25Å; F35-S173 WeakPolarHBondContact O-CB 3.49Å; F35-S173 PolarHBondContact O-N 3.34Å; F35-S173 PolarHBondContact O-OG 3.11Å; S171-S173 VanDerWaalsContact C-N 3.3Å; S171-S173 PolarHBondContact O-N 3.06Å; S173-A175 VanDerWaalsContact C-N 3.32Å; S173-F176 PolarHBondContact O-N 3.41Å; S173-A177 PolarHBondContact O-N 3.47Å; S173-A177 VanDerWaalsContact O-N 3.1Å
174F96Very high93.2Very high31 Ų3149.4 Ų49.414%0.13625%0.248CC..Hα-helixtrans-63.3-40.9172.1174.9-99.2000111.1W36 I149 M152 L170 S171 W172 F176 A177 V178W36-F174 HydrophobicContact CE3-CB 4.23Å; W36-F174 HydrophobicContact CE3-CD2 4.14Å; W36-F174 HydrophobicContact CZ3-CD2 4.04Å; I149-F174 HydrophobicContact CG2-CE2 4.29Å; I149-F174 HydrophobicContact CG2-CZ 3.95Å; M152-F174 HydrophobicContact CB-CD2 4.22Å; M152-F174 HydrophobicContact CB-CE2 3.96Å; M152-F174 HydrophobicContact CG-CD2 3.91Å; M152-F174 HydrophobicContact CG-CE2 4.1Å; L170-F174 HydrophobicContact CB-CB 4.34Å; L170-F174 HydrophobicContact CB-CD1 4.02Å; L170-F174 HydrophobicContact CB-CG 4.26Å; L170-F174 HydrophobicContact CD2-CB 4.36Å; L170-F174 HydrophobicContact CD2-CD1 3.49Å; L170-F174 VanDerWaalsContact CD2-CD1 3.49Å; L170-F174 HydrophobicContact CD2-CD2 3.72Å; L170-F174 HydrophobicContact CD2-CE1 3.53Å; L170-F174 HydrophobicContact CD2-CE2 3.76Å; L170-F174 HydrophobicContact CD2-CG 3.58Å; L170-F174 HydrophobicContact CD2-CZ 3.66Å; L170-F174 HydrophobicContact CG-CD1 4.4Å; L170-F174 HydrophobicContact CG-CG 4.49Å; S171-F174 PolarHBondContact O-N 2.69Å; W172-F174 VanDerWaalsContact C-N 3.3Å; W172-F174 PolarHBondContact O-N 2.97Å; F174-F176 VanDerWaalsContact C-N 3.31Å; F174-F176 PolarHBondContact O-N 2.99Å; F174-A177 WeakPolarHBondContact O-CB 3.25Å; F174-A177 PolarHBondContact O-N 2.75Å; F174-A177 VanDerWaalsContact O-N 3.16Å; F174-V178 HydrophobicContact CD1-CG2 4.29Å; F174-V178 HydrophobicContact CE1-CG2 3.86Å; F174-V178 HydrophobicContact CZ-CG2 4.03Å; F174-V178 WeakPolarHBondContact O-CG2 3.33Å; F174-V178 PolarHBondContact O-N 2.88Å
175A96.4Very high94Very high47 Ų4748.3 Ų48.339%0.38825%0.25SC..Hα-helixtrans-61.9-37.9175.400000112.1S171 W172 S173 V178 L179S171-A175 PolarHBondContact O-N 2.85Å; W172-A175 WeakPolarHBondContact O-CA 3.34Å; W172-A175 VanDerWaalsContact O-CB 3.31Å; W172-A175 WeakPolarHBondContact O-CB 3.43Å; W172-A175 PolarHBondContact O-N 2.83Å; S173-A175 VanDerWaalsContact C-N 3.32Å; A175-V178 WeakPolarHBondContact O-CB 3.23Å; A175-V178 PolarHBondContact O-N 3.31Å; A175-L179 WeakPolarHBondContact O-CG 3.49Å; A175-L179 PolarHBondContact O-N 2.93Å
176F97.6Very high94.7Very high61 Ų6150.2 Ų50.227%0.26826%0.255SS..Hα-helixtrans-65.5-35.9173.7-83.8-80.1000113.1I29 W172 S173 F174 V178 L179 A180I29-F176 HydrophobicContact CB-CD1 4.26Å; I29-F176 HydrophobicContact CB-CG 4.33Å; I29-F176 HydrophobicContact CD1-CD1 4.35Å; I29-F176 HydrophobicContact CD1-CE1 3.99Å; I29-F176 HydrophobicContact CD1-CZ 4.46Å; I29-F176 HydrophobicContact CG2-CB 4.34Å; I29-F176 HydrophobicContact CG2-CD1 3.99Å; I29-F176 HydrophobicContact CG2-CD2 3.77Å; I29-F176 HydrophobicContact CG2-CE1 4.19Å; I29-F176 HydrophobicContact CG2-CE2 3.99Å; I29-F176 HydrophobicContact CG2-CG 3.77Å; I29-F176 HydrophobicContact CG2-CZ 4.18Å; W172-F176 AromaticContact CE3-CD2 3.61Å; W172-F176 HydrophobicContact CE3-CD2 3.61Å; W172-F176 AromaticContact CE3-CE2 3.6Å; W172-F176 HydrophobicContact CE3-CE2 3.6Å; W172-F176 HydrophobicContact CZ3-CD2 4.17Å; W172-F176 HydrophobicContact CZ3-CE2 4.11Å; W172-F176 VanDerWaalsContact O-CD2 3.27Å; W172-F176 WeakPolarHBondContact O-CD2 3.35Å; W172-F176 PolarHBondContact O-N 3.34Å; S173-F176 PolarHBondContact O-N 3.41Å; F174-F176 VanDerWaalsContact C-N 3.31Å; F174-F176 PolarHBondContact O-N 2.99Å; F176-V178 VanDerWaalsContact C-N 3.35Å; F176-L179 PolarHBondContact O-N 2.81Å; F176-A180 WeakPolarHBondContact O-CB 3.44Å; F176-A180 PolarHBondContact O-N 3.28Å
177A96.4Very high95.2Very high4 Ų444.4 Ų44.43%0.03322%0.224CC..Hα-helixtrans-63.4-40.7171.800000111.8W36 S173 F174 A180 G181W36-A177 HydrophobicContact CH2-CB 3.87Å; W36-A177 HydrophobicContact CZ2-CB 4.36Å; W36-A177 HydrophobicContact CZ3-CB 4.46Å; S173-A177 PolarHBondContact O-N 3.47Å; S173-A177 VanDerWaalsContact O-N 3.1Å; F174-A177 WeakPolarHBondContact O-CB 3.25Å; F174-A177 PolarHBondContact O-N 2.75Å; F174-A177 VanDerWaalsContact O-N 3.16Å; A177-A180 PolarHBondContact O-N 3Å; A177-G181 PolarHBondContact O-N 2.83Å; A177-G181 VanDerWaalsContact O-N 3.1Å
178V97.4Very high95.7Very high57 Ų5743.7 Ų43.735%0.34522%0.22SC..Hα-helixtrans-63.3-45.5173.8177.30000111.6I149 F174 A175 F176 A180 G181 F182I149-V178 HydrophobicContact CD1-CB 4.34Å; I149-V178 HydrophobicContact CD1-CG2 4Å; I149-V178 HydrophobicContact CG1-CG2 3.96Å; I149-V178 HydrophobicContact CG2-CG2 3.93Å; F174-V178 HydrophobicContact CD1-CG2 4.29Å; F174-V178 HydrophobicContact CE1-CG2 3.86Å; F174-V178 HydrophobicContact CZ-CG2 4.03Å; F174-V178 WeakPolarHBondContact O-CG2 3.33Å; F174-V178 PolarHBondContact O-N 2.88Å; A175-V178 WeakPolarHBondContact O-CB 3.23Å; A175-V178 PolarHBondContact O-N 3.31Å; F176-V178 VanDerWaalsContact C-N 3.35Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 3.4Å; V178-G181 PolarHBondContact O-N 2.93Å; V178-F182 PolarHBondContact O-N 3.44Å
179L97.7Very high96Very high73 Ų7348.7 Ų48.738%0.38224%0.241SC..Hα-helixtrans-62.2-39.8176.5-72.7172.8000111.9A175 F176 G181 F182 F183A175-L179 WeakPolarHBondContact O-CG 3.49Å; A175-L179 PolarHBondContact O-N 2.93Å; F176-L179 PolarHBondContact O-N 2.81Å; L179-G181 VanDerWaalsContact C-N 3.35Å; L179-G181 PolarHBondContact O-N 3.19Å; L179-F182 PolarHBondContact O-N 2.63Å; L179-F183 HydrophobicContact CB-CD2 4.47Å; L179-F183 HydrophobicContact CB-CE2 4.13Å; L179-F183 WeakPolarHBondContact O-CB 3.32Å; L179-F183 WeakPolarHBondContact O-CD2 3.04Å; L179-F183 VanDerWaalsContact O-CG 3.31Å; L179-F183 WeakPolarHBondContact O-CG 3.41Å; L179-F183 PolarHBondContact O-N 3.4Å
180A97.8Very high96Very high0 Ų044.6 Ų44.60%022%0.221CC..Hα-helixtrans-60-44.9174.900000111.5N27 F145 F176 A177 V178 T184N27-A180 HydrophobicContact CB-CB 4.03Å; F145-A180 HydrophobicContact CE1-CB 3.91Å; F145-A180 HydrophobicContact CE2-CB 4.27Å; F145-A180 HydrophobicContact CZ-CB 3.71Å; F176-A180 WeakPolarHBondContact O-CB 3.44Å; F176-A180 PolarHBondContact O-N 3.28Å; A177-A180 PolarHBondContact O-N 3Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 3.4Å; A180-T184 WeakPolarHBondContact O-CB 3.47Å; A180-T184 PolarHBondContact O-N 2.93Å; A180-T184 PolarHBondContact O-OG1 2.97Å
181G97.4Very high96Very high5 Ų542.5 Ų42.55%0.05221%0.21CC..Hα-helixtrans-59.9-47.4173.400000112.5A177 V178 L179 T184 I185A177-G181 PolarHBondContact O-N 2.83Å; A177-G181 VanDerWaalsContact O-N 3.1Å; V178-G181 PolarHBondContact O-N 2.93Å; L179-G181 VanDerWaalsContact C-N 3.35Å; L179-G181 PolarHBondContact O-N 3.19Å; G181-T184 WeakPolarHBondContact O-CB 3.48Å; G181-T184 PolarHBondContact O-N 2.88Å; G181-I185 WeakPolarHBondContact O-CG1 3.49Å; G181-I185 PolarHBondContact O-N 2.98Å; G181-I185 VanDerWaalsContact O-N 3.11Å
182F97.5Very high95.9Very high108 Ų10843.7 Ų43.747%0.47422%0.216SC..Hα-helixtrans-59.4-50.2177.8-177-100.1000112.2V178 L179 T184 I185 F186V178-F182 PolarHBondContact O-N 3.44Å; L179-F182 PolarHBondContact O-N 2.63Å; F182-T184 VanDerWaalsContact C-N 3.26Å; F182-T184 PolarHBondContact O-N 3.34Å; F182-I185 WeakPolarHBondContact O-CB 3.45Å; F182-I185 PolarHBondContact O-N 3.16Å; F182-I185 VanDerWaalsContact O-N 3.11Å; F182-F186 HydrophobicContact CD1-CD2 4.04Å; F182-F186 AromaticContact CD1-CE2 3.78Å; F182-F186 HydrophobicContact CD1-CE2 3.78Å; F182-F186 HydrophobicContact CD2-CE2 4.05Å; F182-F186 AromaticContact CE1-CD2 3.88Å; F182-F186 HydrophobicContact CE1-CD2 3.88Å; F182-F186 AromaticContact CE1-CE2 3.28Å; F182-F186 HydrophobicContact CE1-CE2 3.28Å; F182-F186 HydrophobicContact CE1-CZ 4.13Å; F182-F186 AromaticContact CE2-CE2 3.59Å; F182-F186 HydrophobicContact CE2-CE2 3.59Å; F182-F186 HydrophobicContact CE2-CZ 4.24Å; F182-F186 HydrophobicContact CG-CE2 4.16Å; F182-F186 HydrophobicContact CZ-CD2 4.23Å; F182-F186 AromaticContact CZ-CE2 3.21Å; F182-F186 HydrophobicContact CZ-CE2 3.21Å; F182-F186 AromaticContact CZ-CZ 3.75Å; F182-F186 HydrophobicContact CZ-CZ 3.75Å; F182-F186 VanDerWaalsContact O-CD2 3.3Å; F182-F186 WeakPolarHBondContact O-CD2 3.45Å; F182-F186 PolarHBondContact O-N 3.18Å
183F97.8Very high95.8Very high38 Ų3840.1 Ų40.117%0.16721%0.206CC..Hα-helixtrans-62.9-33.3176.5-64.8-37.5000112.5F19 L22 A23 L179 I185 F186 C187F19-F183 HydrophobicContact CD1-CB 4.3Å; F19-F183 AromaticContact CD1-CD1 3.57Å; F19-F183 HydrophobicContact CD1-CD1 3.57Å; F19-F183 HydrophobicContact CD1-CE1 4.28Å; F19-F183 HydrophobicContact CD1-CG 4.23Å; F19-F183 AromaticContact CE1-CD1 3.83Å; F19-F183 HydrophobicContact CE1-CD1 3.83Å; F19-F183 HydrophobicContact CE1-CE1 4.17Å; L22-F183 HydrophobicContact CB-CD2 3.77Å; L22-F183 HydrophobicContact CB-CE2 3.97Å; L22-F183 HydrophobicContact CB-CG 4.15Å; A23-F183 HydrophobicContact CB-CB 3.8Å; L179-F183 HydrophobicContact CB-CD2 4.47Å; L179-F183 HydrophobicContact CB-CE2 4.13Å; L179-F183 WeakPolarHBondContact O-CB 3.32Å; L179-F183 WeakPolarHBondContact O-CD2 3.04Å; L179-F183 VanDerWaalsContact O-CG 3.31Å; L179-F183 WeakPolarHBondContact O-CG 3.41Å; L179-F183 PolarHBondContact O-N 3.4Å; F183-I185 VanDerWaalsContact C-N 3.3Å; F183-I185 PolarHBondContact O-N 2.86Å; F183-F186 PolarHBondContact O-N 3.44Å; F183-C187 WeakPolarHBondContact O-CB 2.99Å; F183-C187 PolarHBondContact O-N 3.09Å
184T97.3Very high95.5Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-62.6-36.8174.2-57.80000111.7Q138 L142 A180 G181 F182 C187 I188Q138-T184 HydrophobicContact CB-CG2 4.4Å; L142-T184 HydrophobicContact CB-CG2 4.01Å; A180-T184 WeakPolarHBondContact O-CB 3.47Å; A180-T184 PolarHBondContact O-N 2.93Å; A180-T184 PolarHBondContact O-OG1 2.97Å; G181-T184 WeakPolarHBondContact O-CB 3.48Å; G181-T184 PolarHBondContact O-N 2.88Å; F182-T184 VanDerWaalsContact C-N 3.26Å; F182-T184 PolarHBondContact O-N 3.34Å; T184-C187 WeakPolarHBondContact O-CB 3.5Å; T184-C187 PolarHBondContact O-N 2.79Å; T184-I188 HydrophobicContact CG2-CD1 4.06Å; T184-I188 HydrophobicContact CG2-CG1 4.48Å; T184-I188 VanDerWaalsContact O-CG1 3.31Å; T184-I188 WeakPolarHBondContact O-CG1 3.42Å; T184-I188 PolarHBondContact O-N 3.09Å
185I97.2Very high95.1Very high90 Ų9042.1 Ų42.146%0.46222%0.215SC..Hα-helixtrans-61.4-47.5174.3-62.9167.5000111L142 G181 F182 F183 C187 I188 F189L142-I185 HydrophobicContact CD1-CD1 4.23Å; L142-I185 HydrophobicContact CD1-CG1 3.65Å; L142-I185 HydrophobicContact CD2-CG1 3.91Å; L142-I185 HydrophobicContact CG-CG1 4.47Å; G181-I185 WeakPolarHBondContact O-CG1 3.49Å; G181-I185 PolarHBondContact O-N 2.98Å; G181-I185 VanDerWaalsContact O-N 3.11Å; F182-I185 WeakPolarHBondContact O-CB 3.45Å; F182-I185 PolarHBondContact O-N 3.16Å; F182-I185 VanDerWaalsContact O-N 3.11Å; F183-I185 VanDerWaalsContact C-N 3.3Å; F183-I185 PolarHBondContact O-N 2.86Å; I185-C187 VanDerWaalsContact C-N 3.33Å; I185-C187 PolarHBondContact O-N 3.41Å; I185-I188 PolarHBondContact O-N 3.45Å; I185-F189 PolarHBondContact O-N 3.42Å
186F96.3Very high94.8Very high72 Ų7244.8 Ų44.832%0.31622%0.222SC..Hα-helixtrans-66.6-34.9177.3-72.8-83.1000112.7F19 F182 F183 F189 G190F19-F186 HydrophobicContact CB-CB 4.24Å; F19-F186 HydrophobicContact CD1-CB 4.01Å; F19-F186 HydrophobicContact CD2-CB 3.56Å; F19-F186 HydrophobicContact CD2-CG 4.45Å; F19-F186 HydrophobicContact CE1-CB 4.23Å; F19-F186 HydrophobicContact CE1-CG 4.39Å; F19-F186 HydrophobicContact CE2-CB 3.79Å; F19-F186 HydrophobicContact CE2-CD1 4.38Å; F19-F186 HydrophobicContact CE2-CG 4.22Å; F19-F186 HydrophobicContact CG-CB 3.68Å; F19-F186 HydrophobicContact CZ-CB 4.13Å; F19-F186 HydrophobicContact CZ-CD1 4.45Å; F19-F186 HydrophobicContact CZ-CG 4.19Å; F182-F186 HydrophobicContact CD1-CD2 4.04Å; F182-F186 AromaticContact CD1-CE2 3.78Å; F182-F186 HydrophobicContact CD1-CE2 3.78Å; F182-F186 HydrophobicContact CD2-CE2 4.05Å; F182-F186 AromaticContact CE1-CD2 3.88Å; F182-F186 HydrophobicContact CE1-CD2 3.88Å; F182-F186 AromaticContact CE1-CE2 3.28Å; F182-F186 HydrophobicContact CE1-CE2 3.28Å; F182-F186 HydrophobicContact CE1-CZ 4.13Å; F182-F186 AromaticContact CE2-CE2 3.59Å; F182-F186 HydrophobicContact CE2-CE2 3.59Å; F182-F186 HydrophobicContact CE2-CZ 4.24Å; F182-F186 HydrophobicContact CG-CE2 4.16Å; F182-F186 HydrophobicContact CZ-CD2 4.23Å; F182-F186 AromaticContact CZ-CE2 3.21Å; F182-F186 HydrophobicContact CZ-CE2 3.21Å; F182-F186 AromaticContact CZ-CZ 3.75Å; F182-F186 HydrophobicContact CZ-CZ 3.75Å; F182-F186 VanDerWaalsContact O-CD2 3.3Å; F182-F186 WeakPolarHBondContact O-CD2 3.45Å; F182-F186 PolarHBondContact O-N 3.18Å; F183-F186 PolarHBondContact O-N 3.44Å; F186-F189 PolarHBondContact O-N 3.43Å; F186-G190 PolarHBondContact O-N 3.34Å
187C95.4Very high94.2Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-59.7-51.4172.1179.80000110.6F19 F183 T184 I185 F189 G190 L191F19-C187 HydrophobicContact CB-CB 4.19Å; F183-C187 WeakPolarHBondContact O-CB 2.99Å; F183-C187 PolarHBondContact O-N 3.09Å; T184-C187 WeakPolarHBondContact O-CB 3.5Å; T184-C187 PolarHBondContact O-N 2.79Å; I185-C187 VanDerWaalsContact C-N 3.33Å; I185-C187 PolarHBondContact O-N 3.41Å; C187-F189 VanDerWaalsContact C-N 3.34Å; C187-F189 PolarHBondContact O-N 3.07Å; C187-G190 PolarHBondContact O-N 3.44Å; C187-G190 VanDerWaalsContact O-N 3.15Å; C187-L191 WeakPolarHBondContact O-CB 3.45Å; C187-L191 VanDerWaalsContact O-CG 3.29Å; C187-L191 WeakPolarHBondContact O-CG 3.49Å; C187-L191 PolarHBondContact O-N 3.08Å
188I95.4Very high93.5Very high29 Ų2944.6 Ų44.615%0.14923%0.227CC..Hα-helixtrans-59.2-45.1177.4-67.6165.9000110.8Q138 L142 T184 I185 G190 L191 V192Q138-I188 HydrophobicContact CB-CD1 4.16Å; Q138-I188 HydrophobicContact CB-CG1 3.73Å; L142-I188 HydrophobicContact CB-CD1 4.13Å; L142-I188 HydrophobicContact CD2-CD1 3.8Å; T184-I188 HydrophobicContact CG2-CD1 4.06Å; T184-I188 HydrophobicContact CG2-CG1 4.48Å; T184-I188 VanDerWaalsContact O-CG1 3.31Å; T184-I188 WeakPolarHBondContact O-CG1 3.42Å; T184-I188 PolarHBondContact O-N 3.09Å; I185-I188 PolarHBondContact O-N 3.45Å; I188-G190 VanDerWaalsContact C-N 3.35Å; I188-G190 PolarHBondContact O-N 2.03Å; I188-L191 PolarHBondContact O-N 2.78Å; I188-V192 HydrophobicContact CG2-CG2 4.16Å; I188-V192 WeakPolarHBondContact O-CB 3.38Å; I188-V192 VanDerWaalsContact O-CG2 3.28Å; I188-V192 WeakPolarHBondContact O-CG2 3.28Å; I188-V192 PolarHBondContact O-N 3.45Å
189F94.6Very high92.9Very high127 Ų12742.6 Ų42.656%0.55721%0.213SC*.Hα-helixtrans-60.2-43.1176.1-178.5-101.4000112.2M15 I185 F186 C187 V192 T193M15-F189 HydrophobicContact CE-CD1 3.86Å; M15-F189 HydrophobicContact CE-CE1 4.35Å; I185-F189 PolarHBondContact O-N 3.42Å; F186-F189 PolarHBondContact O-N 3.43Å; C187-F189 VanDerWaalsContact C-N 3.34Å; C187-F189 PolarHBondContact O-N 3.07Å; F189-V192 PolarHBondContact O-N 3.11Å; F189-T193 HydrophobicContact CD1-CG2 4.37Å; F189-T193 HydrophobicContact CD2-CG2 4.47Å; F189-T193 HydrophobicContact CE1-CG2 3.99Å; F189-T193 HydrophobicContact CE2-CG2 4.1Å; F189-T193 HydrophobicContact CZ-CG2 3.85Å; F189-T193 WeakPolarHBondContact O-CB 3.45Å; F189-T193 VanDerWaalsContact O-CG2 3.28Å; F189-T193 WeakPolarHBondContact O-CG2 3.43Å; F189-T193 PolarHBondContact O-N 3.14Å; F189-T193 PolarHBondContact O-OG1 3.36Å
190G92.5Very high92.3Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-61.3-42.5173.500000113.1F186 C187 I188 T193 H194F186-G190 PolarHBondContact O-N 3.34Å; C187-G190 PolarHBondContact O-N 3.44Å; C187-G190 VanDerWaalsContact O-N 3.15Å; I188-G190 VanDerWaalsContact C-N 3.35Å; I188-G190 PolarHBondContact O-N 2.03Å; G190-T193 WeakPolarHBondContact CA-OG1 3.39Å; G190-T193 PolarHBondContact O-OG1 3.13Å; G190-H194 VanDerWaalsContact O-CB 3.27Å; G190-H194 WeakPolarHBondContact O-CB 3.18Å; G190-H194 PolarHBondContact O-N 3.42Å
191L92.3Very high91.4Very high9 Ų946.2 Ų46.25%0.04723%0.233CC..Hα-helixtrans-66.4-44.4177.5-70.9169.2000112.2A16 I115 V134 M135 Q138 C187 I188 H194 Y195A16-L191 HydrophobicContact CB-CD2 4.14Å; A16-L191 HydrophobicContact CB-CG 4.11Å; I115-L191 HydrophobicContact CD1-CD1 4.38Å; I115-L191 HydrophobicContact CD1-CD2 4.3Å; I115-L191 HydrophobicContact CG1-CD2 4.28Å; V134-L191 HydrophobicContact CG1-CD1 3.67Å; V134-L191 HydrophobicContact CG1-CD2 4.03Å; M135-L191 HydrophobicContact CG-CB 4.19Å; Q138-L191 HydrophobicContact CG-CD1 4.11Å; C187-L191 WeakPolarHBondContact O-CB 3.45Å; C187-L191 VanDerWaalsContact O-CG 3.29Å; C187-L191 WeakPolarHBondContact O-CG 3.49Å; C187-L191 PolarHBondContact O-N 3.08Å; I188-L191 PolarHBondContact O-N 2.78Å; L191-H194 PolarHBondContact O-N 3.48Å; L191-Y195 VanDerWaalsContact O-CB 3.31Å; L191-Y195 WeakPolarHBondContact O-CB 3.37Å; L191-Y195 PolarHBondContact O-N 3.06Å
192V92.6Very high90.6Very high55 Ų5549 Ų4933%0.33324%0.242SC..Hα-helixtrans-65-45.9178.2171.20000110.5M135 I188 F189 H194 Y195 L196M135-V192 HydrophobicContact SD-CG2 4.02Å; I188-V192 HydrophobicContact CG2-CG2 4.16Å; I188-V192 WeakPolarHBondContact O-CB 3.38Å; I188-V192 VanDerWaalsContact O-CG2 3.28Å; I188-V192 WeakPolarHBondContact O-CG2 3.28Å; I188-V192 PolarHBondContact O-N 3.45Å; F189-V192 PolarHBondContact O-N 3.11Å; V192-H194 VanDerWaalsContact C-N 3.33Å; V192-H194 PolarHBondContact O-N 2.91Å; V192-Y195 PolarHBondContact O-N 3.33Å; V192-L196 HydrophobicContact CG1-CD1 3.95Å; V192-L196 HydrophobicContact CG1-CG 4.34Å; V192-L196 WeakPolarHBondContact O-CB 3.41Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.42Å; V192-L196 PolarHBondContact O-N 3.07Å
193T91.1Very high89.7Confident37 Ų3748.1 Ų48.123%0.22724%0.238CC..Hα-helixtrans-63.7-39177540000112.1F189 G190 S197F189-T193 HydrophobicContact CD1-CG2 4.37Å; F189-T193 HydrophobicContact CD2-CG2 4.47Å; F189-T193 HydrophobicContact CE1-CG2 3.99Å; F189-T193 HydrophobicContact CE2-CG2 4.1Å; F189-T193 HydrophobicContact CZ-CG2 3.85Å; F189-T193 WeakPolarHBondContact O-CB 3.45Å; F189-T193 VanDerWaalsContact O-CG2 3.28Å; F189-T193 WeakPolarHBondContact O-CG2 3.43Å; F189-T193 PolarHBondContact O-N 3.14Å; F189-T193 PolarHBondContact O-OG1 3.36Å; G190-T193 WeakPolarHBondContact CA-OG1 3.39Å; G190-T193 PolarHBondContact O-OG1 3.13Å; T193-S197 WeakPolarHBondContact O-CB 3.35Å; T193-S197 PolarHBondContact O-N 3.04Å
194H88.4Confident88.7Confident32 Ų3252.2 Ų52.215%0.14826%0.26CS..Hα-helixtrans-62.5-47.7172.3178.6-100.7000111.6H131 G190 L191 V192 S197 V198H131-H194 AromaticContact CE1-CE1 3.82Å; H131-H194 AromaticContact CE1-ND1 3.92Å; G190-H194 VanDerWaalsContact O-CB 3.27Å; G190-H194 WeakPolarHBondContact O-CB 3.18Å; G190-H194 PolarHBondContact O-N 3.42Å; L191-H194 PolarHBondContact O-N 3.48Å; V192-H194 VanDerWaalsContact C-N 3.33Å; V192-H194 PolarHBondContact O-N 2.91Å; H194-S197 WeakPolarHBondContact O-CB 3.32Å; H194-S197 PolarHBondContact O-N 3.38Å; H194-S197 VanDerWaalsContact O-N 3.15Å; H194-V198 WeakPolarHBondContact O-CG2 3.4Å; H194-V198 PolarHBondContact O-N 3.32Å
195Y88.1Confident87.9Confident41 Ų4159.9 Ų59.916%0.16130%0.295CS..Hα-helixtrans-58.4-50.1178.1175-98000111.9H131 F132 M135 L191 V192 S197 V198 E199H131-Y195 HydrophobicContact CB-CD2 3.92Å; H131-Y195 HydrophobicContact CB-CE2 4.46Å; F132-Y195 HydrophobicContact CE2-CE2 4.06Å; F132-Y195 HydrophobicContact CZ-CE2 4.03Å; F132-Y195 AromaticContact CZ-CZ 3.66Å; F132-Y195 WeakPolarHBondContact CZ-OH 3.46Å; M135-Y195 HydrophobicContact CE-CD1 4.47Å; M135-Y195 HydrophobicContact CE-CD2 4.11Å; M135-Y195 HydrophobicContact CE-CG 4.09Å; L191-Y195 VanDerWaalsContact O-CB 3.31Å; L191-Y195 WeakPolarHBondContact O-CB 3.37Å; L191-Y195 PolarHBondContact O-N 3.06Å; V192-Y195 PolarHBondContact O-N 3.33Å; Y195-S197 VanDerWaalsContact C-N 3.27Å; Y195-S197 PolarHBondContact O-N 3.12Å; Y195-V198 PolarHBondContact O-N 3.2Å; Y195-V198 VanDerWaalsContact O-N 3.09Å; Y195-E199 WeakPolarHBondContact O-CB 3.42Å; Y195-E199 PolarHBondContact O-N 3.19Å
196L89Confident87.1Confident102 Ų10259.1 Ų59.153%0.53429%0.293SS..Hα-helixtrans-60.9-36.5175.9-67.5174.1000111.8V192 S200V192-L196 HydrophobicContact CG1-CD1 3.95Å; V192-L196 HydrophobicContact CG1-CG 4.34Å; V192-L196 WeakPolarHBondContact O-CB 3.41Å; V192-L196 VanDerWaalsContact O-CG 3.31Å; V192-L196 WeakPolarHBondContact O-CG 3.42Å; V192-L196 PolarHBondContact O-N 3.07Å; L196-S200 VanDerWaalsContact O-CB 3.27Å; L196-S200 WeakPolarHBondContact O-CB 2.98Å; L196-S200 PolarHBondContact O-N 3.01Å; L196-S200 PolarHBondContact O-OG 3.44Å
197S85.2Confident86Confident32 Ų3260.1 Ų60.122%0.22431%0.306CS..Hα-helixtrans-69.4-29.6175.4-1770000113.4T193 H194 Y195 S200 K201T193-S197 WeakPolarHBondContact O-CB 3.35Å; T193-S197 PolarHBondContact O-N 3.04Å; H194-S197 WeakPolarHBondContact O-CB 3.32Å; H194-S197 PolarHBondContact O-N 3.38Å; H194-S197 VanDerWaalsContact O-N 3.15Å; Y195-S197 VanDerWaalsContact C-N 3.27Å; Y195-S197 PolarHBondContact O-N 3.12Å; S197-S200 WeakPolarHBondContact CA-OG 3.46Å; S197-S200 PolarHBondContact O-OG 3.07Å; S197-K201 WeakPolarHBondContact O-CE 3.43Å; S197-K201 WeakPolarHBondContact O-CG 3.46Å
198V83.3Confident85.1Confident30 Ų3066.1 Ų66.118%0.18234%0.338CS..Hα-helixtrans-77.3-44.9174.9171.40000109.9H194 Y195 K201 R202H194-V198 WeakPolarHBondContact O-CG2 3.4Å; H194-V198 PolarHBondContact O-N 3.32Å; Y195-V198 PolarHBondContact O-N 3.2Å; Y195-V198 VanDerWaalsContact O-N 3.09Å; V198-K201 WeakPolarHBondContact O-CB 3.32Å; V198-K201 PolarHBondContact O-N 2.96Å; V198-R202 PolarHBondContact O-N 2.97Å
199E84.3Confident84Confident14 Ų1467.3 Ų67.37%0.06534%0.344CS..Hα-helixtrans-68.9-39.6-176.2-167.558.6-154.400112.1R128 Y195 K201 R202 F203R128-E199 IonicContact CZ-OE1 3.71Å; R128-E199 IonicContact CZ-OE2 3.69Å; R128-E199 IonicContact NE-OE1 3.2Å; R128-E199 IonicContact NE-OE2 3.76Å; R128-E199 PolarHBondContact NE-OE2 3.28Å; R128-E199 IonicContact NH2-OE1 3.79Å; R128-E199 PolarHBondContact NH2-OE1 3.47Å; R128-E199 IonicContact NH2-OE2 2.98Å; R128-E199 PolarHBondContact NH2-OE2 3.04Å; Y195-E199 WeakPolarHBondContact O-CB 3.42Å; Y195-E199 PolarHBondContact O-N 3.19Å; E199-K201 PolarHBondContact O-N 3.35Å; E199-R202 WeakPolarHBondContact O-CB 3.41Å; E199-R202 PolarHBondContact O-N 3.14Å; E199-R202 IonicContact OE2-CZ 3.86Å; E199-R202 IonicContact OE2-NH1 2.75Å; E199-R202 PolarHBondContact OE2-NH1 3.17Å; E199-F203 HydrophobicContact CG-CD2 3.94Å; E199-F203 HydrophobicContact CG-CE2 3.42Å; E199-F203 VanDerWaalsContact CG-CE2 3.42Å; E199-F203 HydrophobicContact CG-CZ 4Å; E199-F203 VanDerWaalsContact O-CD2 3.27Å; E199-F203 WeakPolarHBondContact O-CD2 3.35Å; E199-F203 PolarHBondContact O-N 3.48Å; E199-F203 VanDerWaalsContact OE1-CZ 3.3Å; E199-F203 WeakPolarHBondContact OE1-CZ 3.33Å
200S84Confident83Confident59 Ų5967.8 Ų67.841%0.41334%0.342SS..Hα-helixtrans-58-33.317253.50000113.2L196 S197 M204L196-S200 VanDerWaalsContact O-CB 3.27Å; L196-S200 WeakPolarHBondContact O-CB 2.98Å; L196-S200 PolarHBondContact O-N 3.01Å; L196-S200 PolarHBondContact O-OG 3.44Å; S197-S200 WeakPolarHBondContact CA-OG 3.46Å; S197-S200 PolarHBondContact O-OG 3.07Å; S200-M204 WeakPolarHBondContact O-CB 3.08Å; S200-M204 WeakPolarHBondContact O-CG 3.49Å; S200-M204 PolarHBondContact O-N 3.36Å; S200-M204 VanDerWaalsContact O-N 3.15Å
201K79.6Confident82Confident90 Ų9073.5 Ų73.539%0.39137%0.369SS..Hα-helixtrans-70.3-40.5173.7-64.1170.4-165.1173.30111.9K9 S197 V198 E199 F203 M204 Q205K9-K201 VanDerWaalsContact NZ-CE 3.25Å; S197-K201 WeakPolarHBondContact O-CE 3.43Å; S197-K201 WeakPolarHBondContact O-CG 3.46Å; V198-K201 WeakPolarHBondContact O-CB 3.32Å; V198-K201 PolarHBondContact O-N 2.96Å; E199-K201 PolarHBondContact O-N 3.35Å; K201-F203 VanDerWaalsContact C-N 3.33Å; K201-M204 PolarHBondContact O-N 3.08Å; K201-Q205 WeakPolarHBondContact O-CB 3.26Å; K201-Q205 PolarHBondContact O-N 3.17Å
202R80.1Confident81.2Confident64 Ų6481.1 Ų81.124%0.24240%0.402CS..Hα-helixtrans-61.4-46.3179.9-171.5178.4-81.6136.1-10.8109.7K126 R128 V198 E199 M204 Q205 D206K126-R202 PolarHBondContact O-NH2 3.41Å; K126-R202 VanDerWaalsContact O-NH2 3.07Å; R128-R202 VanDerWaalsContact CG-NH1 3.27Å; V198-R202 PolarHBondContact O-N 2.97Å; E199-R202 WeakPolarHBondContact O-CB 3.41Å; E199-R202 PolarHBondContact O-N 3.14Å; E199-R202 IonicContact OE2-CZ 3.86Å; E199-R202 IonicContact OE2-NH1 2.75Å; E199-R202 PolarHBondContact OE2-NH1 3.17Å; R202-M204 VanDerWaalsContact C-N 3.3Å; R202-M204 PolarHBondContact O-N 3.45Å; R202-Q205 WeakPolarHBondContact O-CB 3.39Å; R202-Q205 PolarHBondContact O-N 3.16Å; R202-Q205 VanDerWaalsContact O-N 3.14Å; R202-D206 PolarHBondContact O-N 3.04Å
203F79.3Confident80Confident89 Ų8986 Ų8639%0.3942%0.419SS..Hα-helixtrans-62.9-31.3174.3-68.3-48.8000114.3E199 K201 L209E199-F203 HydrophobicContact CG-CD2 3.94Å; E199-F203 HydrophobicContact CG-CE2 3.42Å; E199-F203 VanDerWaalsContact CG-CE2 3.42Å; E199-F203 HydrophobicContact CG-CZ 4Å; E199-F203 VanDerWaalsContact O-CD2 3.27Å; E199-F203 WeakPolarHBondContact O-CD2 3.35Å; E199-F203 PolarHBondContact O-N 3.48Å; E199-F203 VanDerWaalsContact OE1-CZ 3.3Å; E199-F203 WeakPolarHBondContact OE1-CZ 3.33Å; K201-F203 VanDerWaalsContact C-N 3.33Å; F203-L209 HydrophobicContact CB-CD2 4.04Å; F203-L209 HydrophobicContact CD1-CD2 3.49Å; F203-L209 VanDerWaalsContact CD1-CD2 3.49Å; F203-L209 HydrophobicContact CE1-CD2 4.23Å; F203-L209 HydrophobicContact CG-CD2 4.07Å
204M75.8Confident79Confident125 Ų12589.3 Ų89.362%0.61643%0.434SS*.Hα-helixtrans-79.4-21.5176.1-68.2-72.7-97.200113.3S200 K201 R202S200-M204 WeakPolarHBondContact O-CB 3.08Å; S200-M204 WeakPolarHBondContact O-CG 3.49Å; S200-M204 PolarHBondContact O-N 3.36Å; S200-M204 VanDerWaalsContact O-N 3.15Å; K201-M204 PolarHBondContact O-N 3.08Å; R202-M204 VanDerWaalsContact C-N 3.3Å; R202-M204 PolarHBondContact O-N 3.45Å
205Q80.4Confident77.8Confident160 Ų16090.7 Ų90.775%0.74846%0.457SS*.Hα-helixtrans-77.9-30.7176.8-16671.720.800111.4K201 R202 P207K201-Q205 WeakPolarHBondContact O-CB 3.26Å; K201-Q205 PolarHBondContact O-N 3.17Å; R202-Q205 WeakPolarHBondContact O-CB 3.39Å; R202-Q205 PolarHBondContact O-N 3.16Å; R202-Q205 VanDerWaalsContact O-N 3.14Å; Q205-P207 VanDerWaalsContact O-CD 3.24Å; Q205-P207 WeakPolarHBondContact O-CD 3.44Å
206D81.1Confident76.1Confident75 Ų7592.6 Ų92.640%0.40147%0.473SS..  trans-70.2109.5178.1-70.7-27.7000110.7R202 L208 L209 R210R202-D206 PolarHBondContact O-N 3.04Å; D206-L208 VanDerWaalsContact C-N 3.28Å; D206-L208 PolarHBondContact O-N 3.07Å; D206-L209 HydrophobicContact CB-CB 4Å; D206-L209 PolarHBondContact O-N 3.48Å; D206-L209 VanDerWaalsContact O-N 3.12Å; D206-R210 WeakPolarHBondContact O-CB 3.44Å; D206-R210 PolarHBondContact O-N 2.94Å
207P73.8Confident74.2Confident93 Ų9393.6 Ų93.660%0.60448%0.479SS*.Hα-helixtrans-63.7-34.4-172.224.6-33.5000112.4Q205 R210 Q211Q205-P207 VanDerWaalsContact O-CD 3.24Å; Q205-P207 WeakPolarHBondContact O-CD 3.44Å; P207-R210 PolarHBondContact O-N 3.35Å; P207-Q211 WeakPolarHBondContact O-CB 3.5Å; P207-Q211 WeakPolarHBondContact O-CG 3.19Å; P207-Q211 PolarHBondContact O-N 3.13Å
208L76.8Confident72.6Confident126 Ų12697 Ų9766%0.6650%0.501SS*.Hα-helixtrans-65.2-41.1175.8-82173.9000112.4D206 K212D206-L208 VanDerWaalsContact C-N 3.28Å; D206-L208 PolarHBondContact O-N 3.07Å; L208-K212 WeakPolarHBondContact O-CG 3.5Å; L208-K212 PolarHBondContact O-N 3.03Å; L208-K212 VanDerWaalsContact O-N 3.08Å
209L72.6Confident70.9Confident53 Ų53105.2 Ų105.228%0.27753%0.53SS..Hα-helixtrans-73.6-39.7178.2-123.790.1000110.9F203 D206 Q211 K212 F213F203-L209 HydrophobicContact CB-CD2 4.04Å; F203-L209 HydrophobicContact CD1-CD2 3.49Å; F203-L209 VanDerWaalsContact CD1-CD2 3.49Å; F203-L209 HydrophobicContact CE1-CD2 4.23Å; F203-L209 HydrophobicContact CG-CD2 4.07Å; D206-L209 HydrophobicContact CB-CB 4Å; D206-L209 PolarHBondContact O-N 3.48Å; D206-L209 VanDerWaalsContact O-N 3.12Å; L209-Q211 VanDerWaalsContact C-N 3.3Å; L209-Q211 PolarHBondContact O-N 3.02Å; L209-K212 WeakPolarHBondContact O-CB 3.05Å; L209-K212 PolarHBondContact O-N 2.99Å; L209-K212 VanDerWaalsContact O-N 3.15Å; L209-F213 HydrophobicContact CD2-CD2 4.39Å; L209-F213 HydrophobicContact CD2-CE2 3.84Å; L209-F213 HydrophobicContact CG-CE2 4.3Å; L209-F213 VanDerWaalsContact O-CD2 3.28Å; L209-F213 WeakPolarHBondContact O-CD2 3.32Å; L209-F213 PolarHBondContact O-N 3.37Å
210R72.9Confident69Low137 Ų137114 Ų11452%0.51756%0.564SS.*Hα-helixtrans-58.7-42.1174.1-171.9-179.7-180-161.2-2.1111.6D206 P207 F213 L214D206-R210 WeakPolarHBondContact O-CB 3.44Å; D206-R210 PolarHBondContact O-N 2.94Å; P207-R210 PolarHBondContact O-N 3.35Å; R210-F213 PolarHBondContact O-N 3.06Å; R210-L214 HydrophobicContact CG-CD1 3.75Å; R210-L214 HydrophobicContact CG-CG 4.39Å; R210-L214 VanDerWaalsContact O-CB 3.28Å; R210-L214 WeakPolarHBondContact O-CB 3.47Å; R210-L214 VanDerWaalsContact O-CG 3.28Å; R210-L214 WeakPolarHBondContact O-CG 3.45Å; R210-L214 PolarHBondContact O-N 2.98Å
211Q71.2Confident67.2Low121 Ų121116.9 Ų116.957%0.56558%0.579SS**Hα-helixtrans-64.7-42.2173.7-80.2-179.5-24.200112.2P207 L209 F213 L214 G215P207-Q211 WeakPolarHBondContact O-CB 3.5Å; P207-Q211 WeakPolarHBondContact O-CG 3.19Å; P207-Q211 PolarHBondContact O-N 3.13Å; L209-Q211 VanDerWaalsContact C-N 3.3Å; L209-Q211 PolarHBondContact O-N 3.02Å; Q211-F213 PolarHBondContact O-N 3.48Å; Q211-L214 PolarHBondContact O-N 2.67Å; Q211-G215 PolarHBondContact O-N 3.39Å
212K75Confident65.4Low169 Ų169117.8 Ų117.874%0.73560%0.597SS**Hα-helixtrans-59.5-43174.1-77.1-178.3178.6-175.40112.4L208 L209L208-K212 WeakPolarHBondContact O-CG 3.5Å; L208-K212 PolarHBondContact O-N 3.03Å; L208-K212 VanDerWaalsContact O-N 3.08Å; L209-K212 WeakPolarHBondContact O-CB 3.05Å; L209-K212 PolarHBondContact O-N 2.99Å; L209-K212 VanDerWaalsContact O-N 3.15Å
213F68.6Low63.6Low158 Ų158121.8 Ų121.869%0.69362%0.618SS**Hα-helixtrans-75.2-32.7179.3-83.6-69.9000113.8L209 R210 Q211 G215L209-F213 HydrophobicContact CD2-CD2 4.39Å; L209-F213 HydrophobicContact CD2-CE2 3.84Å; L209-F213 HydrophobicContact CG-CE2 4.3Å; L209-F213 VanDerWaalsContact O-CD2 3.28Å; L209-F213 WeakPolarHBondContact O-CD2 3.32Å; L209-F213 PolarHBondContact O-N 3.37Å; R210-F213 PolarHBondContact O-N 3.06Å; Q211-F213 PolarHBondContact O-N 3.48Å; F213-G215 PolarHBondContact O-N 3.01Å
214L69.5Low61.7Low106 Ų106129 Ų12956%0.55564%0.642SS**THydrogen-bonded Turntrans-81.72.5179.6-71.6174.4000113.9R210 Q211 T216R210-L214 HydrophobicContact CG-CD1 3.75Å; R210-L214 HydrophobicContact CG-CG 4.39Å; R210-L214 VanDerWaalsContact O-CB 3.28Å; R210-L214 WeakPolarHBondContact O-CB 3.47Å; R210-L214 VanDerWaalsContact O-CG 3.28Å; R210-L214 WeakPolarHBondContact O-CG 3.45Å; R210-L214 PolarHBondContact O-N 2.98Å; Q211-L214 PolarHBondContact O-N 2.67Å; L214-T216 PolarHBondContact O-N 2.87Å; L214-T216 PolarHBondContact O-OG1 2.85Å
215G62.5Low59.9Low61 Ų61130.5 Ų130.563%0.62965%0.653SS**THydrogen-bonded Turntrans53.819.4173.500000114.2Q211 F213 N217Q211-G215 PolarHBondContact O-N 3.39Å; F213-G215 PolarHBondContact O-N 3.01Å; G215-N217 VanDerWaalsContact C-N 3.33Å; G215-N217 PolarHBondContact O-N 3.34Å
216T53.4Low58Low81 Ų81129.4 Ų129.450%0.49765%0.651SS.*  trans-83.787.7-173.8-43.10000107.1L214 P218L214-T216 PolarHBondContact O-N 2.87Å; L214-T216 PolarHBondContact O-OG1 2.85Å; T216-P218 WeakPolarHBondContact O-CD 3.34Å
217N49.4Very low56.2Low122 Ų122130.3 Ų130.365%0.65266%0.663SS**  trans-50.5122.9163.7-106.6-46.1000107.6G215 Y219G215-N217 VanDerWaalsContact C-N 3.33Å; G215-N217 PolarHBondContact O-N 3.34Å; N217-Y219 PolarHBondContact O-N 3.06Å
218P50.9Low54.4Low105 Ų105136.6 Ų136.668%0.68268%0.676SS**G310 helixtrans-62.1-2.9-177.1-15.624000114.5T216 Y220T216-P218 WeakPolarHBondContact O-CD 3.34Å; P218-Y220 PolarHBondContact O-N 2.88Å
219Y48.4Very low52.7Low202 Ų202140.4 Ų140.479%0.79268%0.683SS**G310 helixtrans-78-14.6-171-106.9-89.2000116N217N217-Y219 PolarHBondContact O-N 3.06Å
220Y44.9Very low51.1Low199 Ų199145.7 Ų145.778%0.7871%0.712SS**G310 helixtrans-107.22.5-175.7-77-76.3000116.1P218P218-Y220 PolarHBondContact O-N 2.88Å
221T44.7Very low49.6Very low119 Ų119142.1 Ų142.173%0.7372%0.718SS**SBendtrans-96.9-0.8178.6-51.80000113.3
222S41.5Very low48Very low109 Ų109146.6 Ų146.676%0.76274%0.735SS**SBendtrans-92.61.1-179.2-170.70000115.4
223Q42.1Very low46.2Very low147 Ų147143.2 Ų143.269%0.68774%0.739SS**  trans-114.27.2-172.4-115.1-175.6-27.700116.3N225Q223-N225 PolarHBondContact O-N 3.01Å
224R41.3Very low44.7Very low240 Ų240140.4 Ų140.491%0.90675%0.745SS**  trans-83.761.9166.6-70.4-166.5-172.3175.53110.9
225N36.2Very low43Very low157 Ų157139.9 Ų139.984%0.8476%0.755SS**  trans-159.668.8165-87.4-30000106.7Q223Q223-N225 PolarHBondContact O-N 3.01Å
226I41.6Very low42Very low138 Ų138143.5 Ų143.571%0.70877%0.766SS**  trans-139.4103167-110.9155.4000109.2
227S43.1Very low40.9Very low93 Ų93148.7 Ų148.765%0.6578%0.784SS**  trans41.199.7135.3-166.90000117.4Y229S227-Y229 PolarHBondContact O-N 2.85Å
228Y35.5Very low40.6Very low226 Ų226148.8 Ų148.889%0.88680%0.795SS**  trans-47.9100.5144.5-178.1-93.7000109.8
229Y41.3Very low39.8Very low206 Ų206153.4 Ų153.481%0.80880%0.804SS**  trans-151.6128.5153.3-102.5-77.1000110.3S227S227-Y229 PolarHBondContact O-N 2.85Å
230D39.6Very low39.3Very low163 Ų163151.8 Ų151.887%0.87281%0.807SS**  trans-37.9154170.8-17015.4000116.8
231G40.2Very low38.8Very low62 Ų62146 Ų14664%0.63981%0.809SS**  trans120.288.6155.900000118.7
232K38.4Very low38.3Very low216 Ų216144 Ų14494%0.93981%0.812SS**  trans28.5111.5139.4-66.8177.1176.71750120.3
233A36.5Very low38Very low98 Ų98143.1 Ų143.181%0.8181%0.81SS**  trans-180104.8136.900000108.2
234A36.9Very low37.7Very low99 Ų99140 Ų14082%0.81882%0.819SS**  66.4105.67800000115.6
235A34.2Very low37.6Very low94 Ų94134.7 Ų134.778%0.77781%0.812SS**  trans57.7131.515500000118.4
236T41.3Very low38Very low138 Ų138133.6 Ų133.685%0.84781%0.811SS**  -163.1157.762.839.70000113.2
237E30.9Very low38.2Very low190 Ų190132.6 Ų132.689%0.88881%0.814SS**  trans-63.2147.1179.2-64.7168.2119.800114.6
238S42.3Very low38.1Very low124 Ų124132.4 Ų132.487%0.86781%0.813SS**  trans-152.7110.4140.636.50000111.3
239K34.7Very low38.6Very low201 Ų201129.7 Ų129.787%0.87481%0.812SS**  trans-80.1132.1168.2-143.9179-172.8175.90107.4
240I38.9Very low38.6Very low168 Ų168128.7 Ų128.786%0.86281%0.813SS**  trans174.1113.9157.3-84.5141.7000103.5
241G32.8Very low38.6Very low79 Ų79126.9 Ų126.981%0.81481%0.807SS**  cis92.877.237.900000109.5
242G34.6Very low38.5Very low77 Ų77130.4 Ų130.479%0.79482%0.817SS**  trans-171.998.6-177.100000116.5
243A35.8Very low38.5Very low89 Ų89127.8 Ų127.874%0.73681%0.812SS**  trans46.888146.800000119.6T245A243-T245 PolarHBondContact O-N 2.86Å; A243-T245 VanDerWaalsContact O-N 3.16Å
244G34.9Very low38.6Very low83 Ų83128.4 Ų128.486%0.85681%0.807SS**  trans-76.387.6156.200000111.1
245T39.2Very low38.6Very low127 Ų127128.9 Ų128.978%0.77980%0.804SS**  trans-83.1109.4166.434.70000109.5A243 P247A243-T245 PolarHBondContact O-N 2.86Å; A243-T245 VanDerWaalsContact O-N 3.16Å; T245-P247 WeakPolarHBondContact O-CD 3.5Å
246V45.1Very low39Very low135 Ų135130.9 Ų130.982%0.81881%0.807SS**PPolyproline II helixtrans-73.5122167.8-170.20000107.6S248V246-S248 PolarHBondContact O-N 3.11Å
247P45.6Very low38.5Very low116 Ų116134.2 Ų134.275%0.75381%0.81SS**PPolyproline II helixtrans-74.8119.2176.226.8-28.9000110.1T245T245-P247 WeakPolarHBondContact O-CD 3.5Å
248S40.4Very low38.8Very low90 Ų90131.4 Ų131.463%0.62981%0.806SS**PPolyproline II helixtrans-53.3133.7168.8167.90000111.5V246 F250V246-S248 PolarHBondContact O-N 3.11Å; S248-F250 VanDerWaalsContact C-N 3.26Å; S248-F250 PolarHBondContact O-N 2.76Å
249L46.4Very low38.5Very low168 Ų168131.3 Ų131.388%0.8881%0.805SS**THydrogen-bonded Turntrans-83.817.3-172.4-147111.6000114.2
250F41Very low38.4Very low186 Ų186131.4 Ų131.482%0.81680%0.801SS**THydrogen-bonded Turntrans-1188.9-167.9-94-81.2000116.8S248S248-F250 VanDerWaalsContact C-N 3.26Å; S248-F250 PolarHBondContact O-N 2.76Å
251T40.1Very low38.6Very low124 Ų124132.5 Ų132.576%0.76180%0.803SS**  trans-12773.6179.824.90000111.8
252T39Very low38.8Very low136 Ų136133 Ų13383%0.83479%0.791SS**  trans-150.494.8157.1-35.40000110.4
253I38.7Very low39.1Very low162 Ų162132.8 Ų132.883%0.83179%0.79SS**  trans-97117.5162.5-58.7169.5000105.5
254P38Very low39.2Very low110 Ų110133.7 Ų133.771%0.71479%0.791SS**  trans-92.8101.2168.926.1-14000109.1
255S36.1Very low39.4Very low109 Ų109137.6 Ų137.676%0.76279%0.787SS**  trans-81.410516051.30000108.8
256T43Very low39.4Very low136 Ų136139.4 Ų139.483%0.83479%0.79SS**  trans-142.298.1163.652.90000109.8
257F30.8Very low38.8Very low208 Ų208136.1 Ų136.191%0.91278%0.783SS**  trans-113.8149.5157-145.7-93.6000106.1
258V37.8Very low38.3Very low131 Ų131136.2 Ų136.279%0.79478%0.784SS**SBendtrans99.8101.5173.5-167.10000116.8
259S36.4Very low38Very low122 Ų122138.2 Ų138.285%0.85379%0.793SS**  trans14.9132.8146.8-68.40000121.6
260Y31.3Very low37.4Very low203 Ų203135.1 Ų135.180%0.79679%0.785SS**  trans-112.9133.8168.4-175.6-101.4000109.6P262Y260-P262 HydrophobicContact CD1-CG 4.22Å; Y260-P262 HydrophobicContact CE1-CB 4.14Å; Y260-P262 VanDerWaalsContact CE1-CD 3.44Å; Y260-P262 HydrophobicContact CE1-CG 3.39Å
261Q42.7Very low37.2Very low192 Ų192132.3 Ų132.390%0.89778%0.783SS**  trans-147.9126.3155.3-167.3172-58.600108.9
262P37.6Very low36.7Very low88 Ų88133.6 Ų133.657%0.57179%0.785SS**  trans-117.4155.3179.142.5-33.7000113.7Y260Y260-P262 HydrophobicContact CD1-CG 4.22Å; Y260-P262 HydrophobicContact CE1-CB 4.14Å; Y260-P262 VanDerWaalsContact CE1-CD 3.44Å; Y260-P262 HydrophobicContact CE1-CG 3.39Å
263G42Very low36.5Very low73 Ų73135.8 Ų135.875%0.75379%0.787SS**  trans150.892.5167.900000110.2
264S37.7Very low36.3Very low109 Ų109132.4 Ų132.476%0.76278%0.784SS**  84.2100.384174.90000114.7
265Q38.9Very low36.3Very low165 Ų165133.7 Ų133.777%0.77179%0.792SS**  trans82.4134.4134.1-68.1-14512.800123.1
266I37.9Very low36.3Very low164 Ų164131.6 Ų131.684%0.84179%0.788SS**  trans73.4129156.6-51.8139.2000114.6
267G33.9Very low36Very low66 Ų66135 Ų13568%0.6879%0.791SS**  cis-174.1-18010.400000107.7
268P35.2Very low36.2Very low118 Ų118129.8 Ų129.877%0.76678%0.78SS**  trans-98.5147.6-157.636.3-30.2000113.6
269T34.2Very low36.2Very low133 Ų133128.9 Ų128.982%0.81678%0.78SS**  trans175.3133.114324.10000111.2
270S34.1Very low36.3Very low102 Ų102130.3 Ų130.371%0.71378%0.776SS**  trans47.6129.6138.5-41.40000118.6
271T36Very low36.5Very low128 Ų128129 Ų12979%0.78578%0.782SS**  cis-179.5151.940.7-8.40000109.2
272L29.3Very low36.1Very low151 Ų151124.9 Ų124.979%0.79178%0.775SS**  trans-11.3139.3158.8-88.285.6000119.3
273M34.3Very low36.1Very low181 Ų181132.7 Ų132.789%0.89279%0.793SS**  171.1127.8103.3-87.4-162.9-171.400111.9
274A36.1Very low35.9Very low92 Ų92132.4 Ų132.476%0.7679%0.79SS**  trans-85.9162.2159.700000109.6
275P37.9Very low36.1Very low136 Ų136134.2 Ų134.288%0.88380%0.797SS**  -149179.781.232.7-10.4000111.8
276G34.6Very low35.9Very low65 Ų65133.9 Ų133.967%0.6780%0.799SS**  cis152.9147.76.100000109.2
277K37.3Very low35.9Very low208 Ų208130.6 Ų130.690%0.90480%0.796SS**  trans69.5146.5148.7-57.3-177-178.2-1780118.4
278S35.7Very low36.2Very low98 Ų98133.4 Ų133.469%0.68580%0.802SS**  cis172.7154.7-8.1470000108.7
279S38.4Very low36.3Very low113 Ų113131.3 Ų131.379%0.7980%0.801SS**  trans141.5112.5145.456.40000110.3
280I37.6Very low36.2Very low151 Ų151129.5 Ų129.577%0.77480%0.8SS**  70.2109.956.6-57.8173.2000112.8
281L34.9Very low36.3Very low175 Ų175131.7 Ų131.792%0.91681%0.809SS**  -158.8130.7122.8-125.9123.9000112.7
282S35.2Very low35.9Very low106 Ų106129.2 Ų129.274%0.74181%0.809SS**  trans-108.4154.9-175.4-64.40000112.4
283R37.6Very low36Very low252 Ų252124.9 Ų124.995%0.95180%0.801SS**  trans177.1123.9137.6-115.5175.5170.6160.1-2.5107.6
284G36.8Very low35.8Very low67 Ų67123.5 Ų123.569%0.69180%0.803SS**  cis104.595.612.500000111
285T42Very low35.9Very low148 Ų148125.4 Ų125.491%0.90881%0.805SS**  trans-156.9122.7140.4-53.80000109.5
286I35.8Very low35.8Very low158 Ų158123 Ų12381%0.8180%0.797SS**  trans-108.4146174.5-66.3167.4000107.5
287A38.4Very low36.1Very low95 Ų95123.7 Ų123.779%0.78580%0.804SS**  trans-158.8150.8143.300000111.6
288P38.3Very low36.7Very low125 Ų125119 Ų11981%0.81279%0.792SS**  trans-129.6166.6-136.636.1-17.6000115.9
289G38.5Very low37.4Very low73 Ų73118.3 Ų118.375%0.75379%0.787SS**  trans156.598.2166.100000110.5
290A32.4Very low38.1Very low96 Ų96115.5 Ų115.579%0.79378%0.776SS**  105.3113.375.700000110.7
291V34.9Very low39Very low147 Ų147111.3 Ų111.389%0.89177%0.765SS**  trans79.3106.3148.3-170.50000118.9
292G29.3Very low40.2Very low77 Ų77106.8 Ų106.879%0.79474%0.744SS**  90.6124122.900000118.4
293G30.5Very low41.8Very low60 Ų60106.4 Ų106.462%0.61974%0.737SS**  trans115.1108154.800000114.4V295G293-V295 WeakPolarHBondContact O-CG2 3Å; G293-V295 PolarHBondContact O-N 3.2Å
294T30.4Very low43.5Very low152 Ų15296.8 Ų96.893%0.93371%0.709SS**  trans-10.4108.2149.749.40000115.1
295V36.8Very low45.4Very low132 Ų13296.2 Ų96.280%0.870%0.697SS**  trans-114.4114.1169.4-1770000109.4G293G293-V295 WeakPolarHBondContact O-CG2 3Å; G293-V295 PolarHBondContact O-N 3.2Å
296A37.4Very low47.3Very low86 Ų8696.8 Ų96.871%0.71169%0.687SS**  trans-53.3136.717100000110.8T298A296-T298 PolarHBondContact O-N 2.78Å
297G39.2Very low49.7Very low79 Ų7994.7 Ų94.781%0.81468%0.677SS**  trans-57.3109.6177.600000111.4S299G297-S299 PolarHBondContact O-N 3.13Å
298T50.6Low51.9Low108 Ų10898 Ų9866%0.66367%0.669SS**  trans-7094.1170-8.40000107.8A296 G300A296-T298 PolarHBondContact O-N 2.78Å; T298-G300 PolarHBondContact O-N 3.11Å
299S50.7Low54.2Low84 Ų8498.5 Ų98.559%0.58766%0.661SS**  trans-57.4133.6176.3-175.10000110G297 A301 T302G297-S299 PolarHBondContact O-N 3.13Å; S299-A301 PolarHBondContact O-N 3.17Å; S299-T302 PolarHBondContact O-N 2.74Å; S299-T302 PolarHBondContact O-OG1 3.16Å
300G53.3Low56.5Low54 Ų5497.8 Ų97.856%0.55764%0.644SS**Hα-helixtrans-53.1-13.7-175.100000115.7T298 T302 V303 S304T298-G300 PolarHBondContact O-N 3.11Å; G300-T302 PolarHBondContact O-N 3.12Å; G300-V303 PolarHBondContact O-N 3.48Å; G300-S304 PolarHBondContact O-N 3.46Å; G300-S304 VanDerWaalsContact O-N 3.08Å
301A55.4Low59.2Low64 Ų6498.2 Ų98.253%0.52963%0.633SS.*Hα-helixtrans-59.1-39.7169.900000113.4S299 S304 A305S299-A301 PolarHBondContact O-N 3.17Å; A301-S304 PolarHBondContact O-N 2.91Å; A301-S304 PolarHBondContact O-OG 3.5Å; A301-A305 PolarHBondContact O-N 3.07Å; A301-A305 VanDerWaalsContact O-N 3.08Å
302T61.7Low61.8Low80 Ų8097.3 Ų97.349%0.49162%0.619SS.*Hα-helixtrans-74-32.2-179.354.70000112.4S299 G300 A305 K306S299-T302 PolarHBondContact O-N 2.74Å; S299-T302 PolarHBondContact O-OG1 3.16Å; G300-T302 PolarHBondContact O-N 3.12Å; T302-A305 PolarHBondContact O-N 2.9Å; T302-K306 PolarHBondContact O-N 3.38Å
303V68.2Low64.6Low97 Ų9796.5 Ų96.559%0.58860%0.604SS**Hα-helixtrans-66.7-39.8171.5-176.90000110.4G300 A305 K306 L307G300-V303 PolarHBondContact O-N 3.48Å; V303-A305 PolarHBondContact O-N 3.45Å; V303-K306 PolarHBondContact O-N 3.46Å; V303-L307 PolarHBondContact O-N 3.16Å; V303-L307 VanDerWaalsContact O-N 3.11Å
304S73.7Confident67.4Low51 Ų51100.3 Ų100.336%0.35761%0.606SS.*Hα-helixtrans-67.3-34.9177.889.50000113.4G300 A301 R308G300-S304 PolarHBondContact O-N 3.46Å; G300-S304 VanDerWaalsContact O-N 3.08Å; A301-S304 PolarHBondContact O-N 2.91Å; A301-S304 PolarHBondContact O-OG 3.5Å; S304-R308 PolarHBondContact O-N 3.04Å
305A76.5Confident70.3Confident55 Ų55102.3 Ų102.346%0.45560%0.597SS.*Hα-helixtrans-69-45.4178.100000110.9A301 T302 V303 L307 R308 E309A301-A305 PolarHBondContact O-N 3.07Å; A301-A305 VanDerWaalsContact O-N 3.08Å; T302-A305 PolarHBondContact O-N 2.9Å; V303-A305 PolarHBondContact O-N 3.45Å; A305-L307 VanDerWaalsContact C-N 3.29Å; A305-L307 PolarHBondContact O-N 3.04Å; A305-R308 PolarHBondContact O-N 3.4Å; A305-E309 PolarHBondContact O-N 3.42Å; A305-E309 VanDerWaalsContact O-N 3.1Å
306K82Confident72.8Confident159 Ų159101 Ų10169%0.69158%0.584SS**Hα-helixtrans-64.3-33178.5-158.2174.5-174.8177.60112.7T302 V303 S310T302-K306 PolarHBondContact O-N 3.38Å; V303-K306 PolarHBondContact O-N 3.46Å; K306-S310 PolarHBondContact O-N 3.28Å; K306-S310 VanDerWaalsContact O-N 3.11Å; K306-S310 PolarHBondContact O-OG 2.99Å
307L86Confident75.2Confident115 Ų11599.5 Ų99.560%0.60257%0.572SS**Hα-helixtrans-68.3-40.2174.9-168.970.7000112.1V303 A305 S310 L311V303-L307 PolarHBondContact O-N 3.16Å; V303-L307 VanDerWaalsContact O-N 3.11Å; A305-L307 VanDerWaalsContact C-N 3.29Å; A305-L307 PolarHBondContact O-N 3.04Å; L307-S310 PolarHBondContact O-N 3.45Å; L307-S310 PolarHBondContact O-OG 3.03Å; L307-L311 WeakPolarHBondContact O-CB 3.28Å; L307-L311 PolarHBondContact O-N 3.48Å; L307-L311 VanDerWaalsContact O-N 3.09Å
308R84.7Confident77.5Confident163 Ų16399.8 Ų99.862%0.61556%0.558SS**Hα-helixtrans-63.4-43.5175.6-75.7-171.4-179.7101.4-1.1111.7S304 A305 S310 L311 E312S304-R308 PolarHBondContact O-N 3.04Å; A305-R308 PolarHBondContact O-N 3.4Å; R308-S310 PolarHBondContact O-N 3Å; R308-L311 PolarHBondContact O-N 3.12Å; R308-L311 VanDerWaalsContact O-N 3.16Å; R308-E312 PolarHBondContact O-N 3.48Å
309E86.5Confident79.4Confident136 Ų136100 Ų10064%0.63655%0.554SS**Hα-helixtrans-62.2-41.3178-161.6175.8-170.800111.8A305 L311 A313A305-E309 PolarHBondContact O-N 3.42Å; A305-E309 VanDerWaalsContact O-N 3.1Å; E309-L311 VanDerWaalsContact C-N 3.32Å; E309-L311 PolarHBondContact O-N 3Å; E309-A313 WeakPolarHBondContact O-CB 3.48Å; E309-A313 PolarHBondContact O-N 3.04Å; E309-A313 VanDerWaalsContact O-N 3.08Å
310S85.7Confident81.2Confident58 Ų58100.2 Ų100.241%0.40655%0.546SS..Hα-helixtrans-65.6-33.3174.8630000113.7K306 L307 R308 Q314K306-S310 PolarHBondContact O-N 3.28Å; K306-S310 VanDerWaalsContact O-N 3.11Å; K306-S310 PolarHBondContact O-OG 2.99Å; L307-S310 PolarHBondContact O-N 3.45Å; L307-S310 PolarHBondContact O-OG 3.03Å; R308-S310 PolarHBondContact O-N 3Å; S310-Q314 PolarHBondContact O-N 3.33Å; S310-Q314 VanDerWaalsContact O-N 3.09Å
311L88.8Confident82.8Confident106 Ų106100.1 Ų100.156%0.55554%0.539SS*.Hα-helixtrans-77.3-35.5-177.6-157.5148000111L307 R308 E309 R315L307-L311 WeakPolarHBondContact O-CB 3.28Å; L307-L311 PolarHBondContact O-N 3.48Å; L307-L311 VanDerWaalsContact O-N 3.09Å; R308-L311 PolarHBondContact O-N 3.12Å; R308-L311 VanDerWaalsContact O-N 3.16Å; E309-L311 VanDerWaalsContact C-N 3.32Å; E309-L311 PolarHBondContact O-N 3Å; L311-R315 PolarHBondContact O-N 3.11Å; L311-R315 VanDerWaalsContact O-N 3.07Å
312E91.1Very high84.2Confident128 Ų128102 Ų10260%0.59854%0.541SS*.Hα-helixtrans-66.2-42.9171.6-73177.8-179.300111.8R308 Q314 R315 I316R308-E312 PolarHBondContact O-N 3.48Å; E312-Q314 PolarHBondContact O-N 3.02Å; E312-R315 PolarHBondContact O-N 3.19Å; E312-R315 VanDerWaalsContact O-N 3.13Å; E312-I316 WeakPolarHBondContact O-CG1 3.07Å; E312-I316 PolarHBondContact O-N 3.36Å; E312-I316 VanDerWaalsContact O-N 3.07Å
313A88.2Confident85.3Confident59 Ų59103.4 Ų103.449%0.48854%0.544SS..Hα-helixtrans-60.8-41.8175.200000112.3E309 R315 I316 A317E309-A313 WeakPolarHBondContact O-CB 3.48Å; E309-A313 PolarHBondContact O-N 3.04Å; E309-A313 VanDerWaalsContact O-N 3.08Å; A313-R315 VanDerWaalsContact C-N 3.34Å; A313-R315 PolarHBondContact O-N 3.26Å; A313-I316 PolarHBondContact O-N 3.29Å; A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 3.42Å
314Q89.2Confident86.2Confident140 Ų140106.2 Ų106.265%0.65455%0.545SS*.Hα-helixtrans-63.7-38.4174-83.4-168.8-50.500112.4S310 E312 A317 V318S310-Q314 PolarHBondContact O-N 3.33Å; S310-Q314 VanDerWaalsContact O-N 3.09Å; E312-Q314 PolarHBondContact O-N 3.02Å; Q314-A317 PolarHBondContact O-N 2.85Å; Q314-V318 WeakPolarHBondContact O-CG2 3.47Å; Q314-V318 PolarHBondContact O-N 3.4Å
315R89.5Confident86.4Confident195 Ų195106 Ų10674%0.73655%0.546SS*.Hα-helixtrans-65.8-39.7-179.3-143.7177.8-169.1-136.9-1.1111.9L311 E312 A313 L319L311-R315 PolarHBondContact O-N 3.11Å; L311-R315 VanDerWaalsContact O-N 3.07Å; E312-R315 PolarHBondContact O-N 3.19Å; E312-R315 VanDerWaalsContact O-N 3.13Å; A313-R315 VanDerWaalsContact C-N 3.34Å; A313-R315 PolarHBondContact O-N 3.26Å; R315-L319 PolarHBondContact O-N 2.91Å; R315-L319 VanDerWaalsContact O-N 3.16Å
316I90Very high86.4Confident103 Ų103106.1 Ų106.153%0.52855%0.547SS..Hα-helixtrans-68.3-43.5175.9-63.9170.2000110.4E312 A313 V318 L319 E320E312-I316 WeakPolarHBondContact O-CG1 3.07Å; E312-I316 PolarHBondContact O-N 3.36Å; E312-I316 VanDerWaalsContact O-N 3.07Å; A313-I316 PolarHBondContact O-N 3.29Å; I316-V318 VanDerWaalsContact C-N 3.34Å; I316-V318 PolarHBondContact O-N 3.19Å; I316-L319 PolarHBondContact O-N 3.36Å; I316-E320 PolarHBondContact O-N 3.41Å
317A87.8Confident86.2Confident55 Ų55104.8 Ų104.846%0.45554%0.543SS..Hα-helixtrans-61.3-39.9178.600000113A313 Q314 A321A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 3.42Å; Q314-A317 PolarHBondContact O-N 2.85Å; A317-A321 WeakPolarHBondContact O-CB 3.23Å; A317-A321 PolarHBondContact O-N 2.79Å
318V88.2Confident85.5Confident86 Ų86102.3 Ų102.352%0.52154%0.536SS..Hα-helixtrans-67.8-38.9175.6172.40000111.3Q314 I316 A321 N322Q314-V318 WeakPolarHBondContact O-CG2 3.47Å; Q314-V318 PolarHBondContact O-N 3.4Å; I316-V318 VanDerWaalsContact C-N 3.34Å; I316-V318 PolarHBondContact O-N 3.19Å; V318-A321 PolarHBondContact O-N 3.11Å; V318-N322 PolarHBondContact O-N 3.25Å
319L89.1Confident84.4Confident112 Ų112100.7 Ų100.759%0.58654%0.535SS*.Hα-helixtrans-63.8-44176.5-167.876.3000111.4R315 I316 N322 L323R315-L319 PolarHBondContact O-N 2.91Å; R315-L319 VanDerWaalsContact O-N 3.16Å; I316-L319 PolarHBondContact O-N 3.36Å; L319-N322 PolarHBondContact O-N 3.33Å; L319-L323 WeakPolarHBondContact O-CG 3.26Å; L319-L323 PolarHBondContact O-N 2.91Å
320E89.8Confident83Confident89 Ų89100.4 Ų100.442%0.41654%0.537SS..Hα-helixtrans-63.4-40.3175-76-170.2-170.400112.5I316 N322 L323 R324I316-E320 PolarHBondContact O-N 3.41Å; E320-N322 VanDerWaalsContact C-N 3.32Å; E320-N322 PolarHBondContact O-N 3.44Å; E320-L323 PolarHBondContact O-N 3.13Å; E320-R324 WeakPolarHBondContact O-CG 3.15Å; E320-R324 PolarHBondContact O-N 3.07Å; E320-R324 IonicContact OE2-CZ 3.47Å; E320-R324 IonicContact OE2-NH1 3.41Å; E320-R324 IonicContact OE2-NH2 2.65Å; E320-R324 PolarHBondContact OE2-NH2 3.09Å
321A86.1Confident81.6Confident51 Ų51104.9 Ų104.942%0.42155%0.549SS..Hα-helixtrans-62-41.6176.800000111.6A317 V318 R324 A325A317-A321 WeakPolarHBondContact O-CB 3.23Å; A317-A321 PolarHBondContact O-N 2.79Å; V318-A321 PolarHBondContact O-N 3.11Å; A321-R324 PolarHBondContact O-N 3.46Å; A321-A325 PolarHBondContact O-N 3.18Å
322N84.6Confident80Confident104 Ų104106 Ų10656%0.55655%0.552SS**Hα-helixtrans-67.6-37.2177-71.1-14.2000112.5V318 L319 E320 A325 A326V318-N322 PolarHBondContact O-N 3.25Å; L319-N322 PolarHBondContact O-N 3.33Å; E320-N322 VanDerWaalsContact C-N 3.32Å; E320-N322 PolarHBondContact O-N 3.44Å; N322-A325 PolarHBondContact O-N 2.71Å; N322-A326 PolarHBondContact O-N 3.11Å
323L86.1Confident78.1Confident109 Ų109105.6 Ų105.657%0.57155%0.554SS**Hα-helixtrans-65.5-42.4175.1-73170.6000111.8L319 E320 A325 A326 E327L319-L323 WeakPolarHBondContact O-CG 3.26Å; L319-L323 PolarHBondContact O-N 2.91Å; E320-L323 PolarHBondContact O-N 3.13Å; L323-A325 VanDerWaalsContact C-N 3.34Å; L323-A325 PolarHBondContact O-N 2.73Å; L323-A326 PolarHBondContact O-N 3.34Å; L323-E327 PolarHBondContact O-N 2.64Å
324R85.5Confident76.3Confident156 Ų156106 Ų10659%0.58956%0.557SS**Hα-helixtrans-64.1-38.1174.9-70-176-170.4115.612.9112.2E320 A321 E327 S328E320-R324 WeakPolarHBondContact O-CG 3.15Å; E320-R324 PolarHBondContact O-N 3.07Å; E320-R324 IonicContact OE2-CZ 3.47Å; E320-R324 IonicContact OE2-NH1 3.41Å; E320-R324 IonicContact OE2-NH2 2.65Å; E320-R324 PolarHBondContact OE2-NH2 3.09Å; A321-R324 PolarHBondContact O-N 3.46Å; R324-E327 PolarHBondContact O-N 3.48Å; R324-S328 PolarHBondContact O-N 3.05Å; R324-S328 VanDerWaalsContact O-N 3.12Å
325A79.7Confident74.4Confident47 Ų47107.1 Ų107.139%0.38856%0.562SS.*Hα-helixtrans-63.7-43.4174.900000111.4A321 N322 L323 E327 S328 E329A321-A325 PolarHBondContact O-N 3.18Å; N322-A325 PolarHBondContact O-N 2.71Å; L323-A325 VanDerWaalsContact C-N 3.34Å; L323-A325 PolarHBondContact O-N 2.73Å; A325-E327 PolarHBondContact O-N 3.11Å; A325-S328 PolarHBondContact O-N 3.45Å; A325-S328 PolarHBondContact O-OG 3.25Å; A325-E329 PolarHBondContact O-N 3.17Å
326A76.3Confident72.4Confident57 Ų57104.4 Ų104.447%0.47156%0.562SS.*Hα-helixtrans-63.8-37.7177.100000113.1N322 L323 E329 L330N322-A326 PolarHBondContact O-N 3.11Å; L323-A326 PolarHBondContact O-N 3.34Å; A326-E329 PolarHBondContact O-N 3.25Å; A326-L330 PolarHBondContact O-N 3.12Å
327E76.8Confident70.2Confident132 Ų132103.1 Ų103.162%0.61757%0.567SS**Hα-helixtrans-65.1-38.4173.4-76.1-177.8164.500111.9L323 R324 A325 L330 F331L323-E327 PolarHBondContact O-N 2.64Å; R324-E327 PolarHBondContact O-N 3.48Å; A325-E327 PolarHBondContact O-N 3.11Å; E327-L330 PolarHBondContact O-N 3.06Å; E327-F331 WeakPolarHBondContact O-CD2 3.12Å; E327-F331 PolarHBondContact O-N 3.35Å; E327-F331 VanDerWaalsContact O-N 3.11Å
328S71.9Confident67.9Low63 Ų63109.3 Ų109.344%0.44159%0.586SS.*Hα-helixtrans-67.2-36.9177.370.10000113.2R324 A325 F331 Q332R324-S328 PolarHBondContact O-N 3.05Å; R324-S328 VanDerWaalsContact O-N 3.12Å; A325-S328 PolarHBondContact O-N 3.45Å; A325-S328 PolarHBondContact O-OG 3.25Å; S328-F331 PolarHBondContact O-N 3.48Å; S328-Q332 PolarHBondContact O-N 2.75Å; S328-Q332 VanDerWaalsContact O-N 3.09Å
329E61.8Low65.5Low129 Ų129108.5 Ų108.560%0.60360%0.595SS**Hα-helixtrans-70.6-33175-70.1-165.416200112.1A325 A326 N333A325-E329 PolarHBondContact O-N 3.17Å; A326-E329 PolarHBondContact O-N 3.25Å; E329-N333 WeakPolarHBondContact O-CB 3.46Å; E329-N333 VanDerWaalsContact O-CG 3.28Å; E329-N333 PolarHBondContact O-N 3.2Å; E329-N333 VanDerWaalsContact O-N 3.1Å; E329-N333 PolarHBondContact O-ND2 3.07Å
330L56.6Low63.2Low129 Ų129108.9 Ų108.968%0.67560%0.604SS**Hα-helixtrans-67.2-38.8175.4-159.196.5000111.6A326 E327 A334A326-L330 PolarHBondContact O-N 3.12Å; E327-L330 PolarHBondContact O-N 3.06Å; L330-A334 WeakPolarHBondContact O-CB 3.39Å; L330-A334 PolarHBondContact O-N 3.33Å; L330-A334 VanDerWaalsContact O-N 3.13Å
331F56Low60.5Low152 Ų152111.1 Ų111.167%0.66762%0.624SS**Hα-helixtrans-71.5-37.7177.3-93.6-85.8000112.8E327 S328 N333 A334 E335E327-F331 WeakPolarHBondContact O-CD2 3.12Å; E327-F331 PolarHBondContact O-N 3.35Å; E327-F331 VanDerWaalsContact O-N 3.11Å; S328-F331 PolarHBondContact O-N 3.48Å; F331-N333 VanDerWaalsContact C-N 3.34Å; F331-N333 PolarHBondContact O-N 3.08Å; F331-A334 PolarHBondContact O-N 3.11Å; F331-E335 PolarHBondContact O-N 3.07Å
332Q54.9Low58.2Low131 Ų131114.5 Ų114.561%0.61264%0.644SS**Hα-helixtrans-70.2-28.8175.6-78.2177.9-42.700113.4S328 N336S328-Q332 PolarHBondContact O-N 2.75Å; S328-Q332 VanDerWaalsContact O-N 3.09Å; Q332-N336 PolarHBondContact O-ND2 3.1Å
333N51.6Low55.8Low119 Ų119115.9 Ų115.964%0.63666%0.657SS**Hα-helixtrans-80.6-22.8175.1-71.2-31.9000113.1E329 F331E329-N333 WeakPolarHBondContact O-CB 3.46Å; E329-N333 VanDerWaalsContact O-CG 3.28Å; E329-N333 PolarHBondContact O-N 3.2Å; E329-N333 VanDerWaalsContact O-N 3.1Å; E329-N333 PolarHBondContact O-ND2 3.07Å; F331-N333 VanDerWaalsContact C-N 3.34Å; F331-N333 PolarHBondContact O-N 3.08Å
334A49.9Very low53.5Low66 Ų66120.1 Ų120.155%0.54567%0.674SS.*Hα-helixtrans-76.9-28.2174.600000113.2L330 F331L330-A334 WeakPolarHBondContact O-CB 3.39Å; L330-A334 PolarHBondContact O-N 3.33Å; L330-A334 VanDerWaalsContact O-N 3.13Å; F331-A334 PolarHBondContact O-N 3.11Å
335E49.5Very low51.1Low164 Ų164117.5 Ų117.577%0.76668%0.68SS**Hα-helixtrans-82-15.2-177.7-141.4167133.900113.7F331F331-E335 PolarHBondContact O-N 3.07Å
336N47.7Very low49.1Very low139 Ų139123 Ų12374%0.74370%0.702SS**THydrogen-bonded Turntrans-97.58.6178.9-69.5-39000114.5Q332 H338Q332-N336 PolarHBondContact O-ND2 3.1Å; N336-H338 PolarHBondContact O-N 3.49Å
337A43.8Very low47Very low75 Ų75130.7 Ų130.762%0.6272%0.72SS**  trans-91.715.6-174.200000115.6
338H40.6Very low45.1Very low186 Ų186130.5 Ų130.586%0.86172%0.723SS**  trans-119.687.2177.7-75.971.4000111.8N336N336-H338 PolarHBondContact O-N 3.49Å
339G37.2Very low43.7Very low68 Ų68132.1 Ų132.170%0.70173%0.732SS**  trans-171.2123.4170.500000112
340P39.9Very low42.5Very low121 Ų121132.7 Ų132.779%0.78674%0.739SS**  trans-87.1136.8-168.234.3-32.9000113
341T33.9Very low41.5Very low136 Ų136134.6 Ų134.683%0.83475%0.748SS**  trans40.4109.7146.838.60000119.2
342S37.7Very low40.5Very low121 Ų121137.8 Ų137.885%0.84676%0.756SS**  -157134.7125.549.70000111.6
343T34.6Very low39.5Very low134 Ų134136.7 Ų136.782%0.82276%0.763SS**  trans-63.2136.2179.443.50000113.1
344Q38.2Very low38.7Very low197 Ų197138.6 Ų138.692%0.92177%0.768SS**  trans-163.3128.8133.3-106.8169.930.400111.5
345S35.2Very low37.9Very low102 Ų102140.5 Ų140.571%0.71378%0.777SS**  trans-69.2145.8178.958.40000112.6
346L36.2Very low37.1Very low163 Ų163143.5 Ų143.585%0.85378%0.782SS**  -169131.8120.2-121105.3000111.8
347Y33.1Very low36.6Very low218 Ų218146.7 Ų146.786%0.85579%0.785SS**  trans83109.3154.1-141.1-103.4000120
348N36.6Very low36.2Very low128 Ų128151.9 Ų151.968%0.68480%0.796SS**  trans-117.7156.2170.9-168.69.8000107.9N350N348-N350 PolarHBondContact OD1-N 3.14Å; N348-N350 VanDerWaalsContact OD1-N 3.14Å
349P43Very low36.1Very low97 Ų97146.8 Ų146.863%0.6379%0.794SS**  -146133.1106.131.8-13.1000116.4
350N36.9Very low35.9Very low140 Ų140150.4 Ų150.475%0.74980%0.802SS**  trans63.296.9135.2-62.7-27.8000120.4N348N348-N350 PolarHBondContact OD1-N 3.14Å; N348-N350 VanDerWaalsContact OD1-N 3.14Å
351I35.6Very low35.8Very low169 Ų169152.9 Ų152.987%0.86781%0.806SS**  trans-122.8114.4142.7-64.4-180000107.7
352R34.6Very low35.9Very low219 Ų219152.2 Ų152.283%0.82680%0.801SS**  trans-93.1111.2174.4-169.7178.9-161.3151.38.2108.3E354R352-E354 IonicContact CZ-OE2 3.94Å; R352-E354 IonicContact NE-OE2 3.36Å; R352-E354 PolarHBondContact NE-OE2 3.48Å; R352-E354 IonicContact NH2-OE2 3.72Å
353S34.4Very low35.6Very low109 Ų109157.5 Ų157.576%0.76280%0.803SS**  trans-123.699.9165.7158.60000107.1
354E34.2Very low35.8Very low159 Ų159160.4 Ų160.474%0.74381%0.807SS**  trans-87.8116.8168.9-96.8173.7121.200109.4R352R352-E354 IonicContact CZ-OE2 3.94Å; R352-E354 IonicContact NE-OE2 3.36Å; R352-E354 PolarHBondContact NE-OE2 3.48Å; R352-E354 IonicContact NH2-OE2 3.72Å
355S33.3Very low35.6Very low106 Ų106155.5 Ų155.574%0.74180%0.801SS**  trans-84.9125.3161.761.70000109.3
356R32.2Very low35.7Very low227 Ų227160 Ų16086%0.85781%0.81SS**  trans-161.7116.2154.6-148.6169-86.9-163.8-3.4114.2
357Y37.8Very low35.5Very low205 Ų205163.6 Ų163.680%0.80481%0.813SS**  trans73.8121.8140.4-85.8-116.2000122.2
358E34.5Very low35.8Very low185 Ų185161.5 Ų161.586%0.86482%0.815SS**  trans-23143.5147.1-63.9170.6139.600117
359G38.7Very low35.5Very low79 Ų79159 Ų15981%0.81482%0.819SS**  trans170.696.7167.700000113.6
360T33.9Very low35.2Very low143 Ų143159.8 Ų159.888%0.87783%0.827SS**  trans-63.1144.1171.518.50000113.9
361M36.6Very low35.1Very low173 Ų173159.2 Ų159.285%0.85283%0.829SS**  trans150.6101.4143.1-87.1-165-175.900110.9
362T36.5Very low35.2Very low122 Ų122157 Ų15775%0.74882%0.824SS**  59.9122.5104.150.80000118.7
363R32.5Very low35.3Very low233 Ų233154.8 Ų154.888%0.87982%0.822SS**  trans62.9116.4143.6-83.9-174.3174.9176.4-0.4118.7
364Q37.2Very low35.5Very low194 Ų194157.5 Ų157.591%0.90783%0.827SS**  -179.1143.599-105.8168.1-85.200111.2
365A35.3Very low35.7Very low95 Ų95159 Ų15979%0.78583%0.834SS**  trans-83.1142.8174.400000110.5
366E36.2Very low35.9Very low196 Ų196158.1 Ų158.192%0.91683%0.828SS**  trans-151.1126.1152.9-125.9168.8175.400111.3
367R32.8Very low36.2Very low239 Ų239154.1 Ų154.190%0.90282%0.824SS**  trans-72.3139.4169.3-79.1175.5173.7-172.6-2.3108.7
368L38.5Very low36.4Very low174 Ų174151.2 Ų151.291%0.91183%0.827SS**  trans-141.6116.3145.5-133.890.4000108.9
369G31.4Very low36.5Very low74 Ų74146.9 Ų146.976%0.76382%0.823SS**  trans-84.7148.5166.400000110.1
370S36.1Very low36.7Very low114 Ų114151 Ų15180%0.79782%0.823SS**  trans-146.4107.5159.6-169.20000109.8
371T35.4Very low36.7Very low129 Ų129150.9 Ų150.979%0.79182%0.817SS**  trans-72.7136.5162.940.80000110.9
372T37.8Very low36.8Very low123 Ų123147.8 Ų147.876%0.75581%0.812SS**  trans161.6135.3151.444.90000106.2
373H36.5Very low37Very low171 Ų171146.6 Ų146.679%0.79282%0.815SS**  cis-165.5136.430-145.5-88.4000107.7
374L38.3Very low37.7Very low167 Ų167146 Ų14687%0.87484%0.837SS**  trans-71.9140.5163.3-93.8144000109.1
375Q38.7Very low37.7Very low191 Ų191143.7 Ų143.789%0.89383%0.833SS**  trans-143.5109.8156.9-153.3168.1-16.800109.4
376S37.5Very low37.8Very low86 Ų86146.2 Ų146.260%0.60184%0.836SS**  trans-87.6165.1165.270.40000109.7
377N38.6Very low37.9Very low144 Ų144143.4 Ų143.477%0.7783%0.831SS**  trans93.393.5164.5-48.2-17.3000115.7
378V41Very low38.2Very low143 Ų143137.8 Ų137.887%0.86783%0.827SS**  trans-135.9105.3134.4-179.90000107.8
379A37.5Very low38.2Very low95 Ų95135.6 Ų135.679%0.78582%0.822SS**  trans-88.7128.7155.200000107.2
380M41.9Very low38.6Very low166 Ų166139.7 Ų139.782%0.81883%0.826SS**  trans-162.5107.1152.7-82.2-144.5-157.400105.5
381D35.4Very low38.8Very low139 Ų139141.5 Ų141.574%0.74383%0.828SS**  81.2105.589.8-101.8-34.5000113.3
382S38.6Very low39.1Very low109 Ų109142.5 Ų142.576%0.76283%0.831SS**  47.7105.7122.6-48.60000118.5
383A41Very low39.2Very low97 Ų97144.1 Ų144.180%0.80284%0.837SS**  153.1137.7118.600000112.7
384V45.4Very low39.4Very low221 Ų221141.6 Ų141.6100%1.33984%0.841SS**  trans89.30173.5-165.50000116.6

Retrieved 384 of 384 residues in 104.8 ms (Link to these results)

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