HRTB_STAAM Loading...

Putative hemin transport system permease protein HrtB

Part of the ABC transporter complex hrt involved in hemin import. Responsible for the translocation of the substrate across the membrane (By similarity).

AlphaFold DB (Q2FVR0), UniProt , Accession Q99RR7, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene hrtB, Length 351 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.3Low68.7Low158 Ų158101.3 Ų101.378%0.77847%0.471SS*.  0-54.60-157.9172.8170.400113.6L3 A4 I5 L279M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.1Å; M1-A4 PolarHBondContact O-N 3.36Å; M1-I5 HydrophobicContact CE-CD1 4.15Å; M1-I5 HydrophobicContact CG-CD1 4.1Å; M1-I5 PolarHBondContact O-N 3.47Å; M1-L279 HydrophobicContact CG-CD2 3.99Å
2K72.9Confident69.5Low181 Ų181104.1 Ų104.179%0.78748%0.481SS*.Hα-helixtrans-53.8-37.4-179.6-76-173.8177.7179.30114.7K6K2-K6 PolarHBondContact O-N 3.4Å; K2-K6 VanDerWaalsContact O-N 3.14Å
3L66.9Low70.3Confident99 Ų99108.6 Ų108.652%0.51850%0.499SS..Hα-helixtrans-63.5-48.7179.1-158.980.7000112M1 I5 K6 E7 L263M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.1Å; L3-I5 PolarHBondContact O-N 3Å; L3-K6 PolarHBondContact O-N 3.33Å; L3-E7 WeakPolarHBondContact O-CB 3.37Å; L3-E7 PolarHBondContact O-N 3.34Å; L3-L263 HydrophobicContact CD2-CD1 4.49Å
4A64.2Low70.9Confident5 Ų5106.4 Ų106.44%0.04148%0.484CS..Hα-helixtrans-60.4-43.3-179.500000112.3M1 E7 I8 Q280M1-A4 PolarHBondContact O-N 3.36Å; A4-E7 PolarHBondContact O-N 3.33Å; A4-I8 VanDerWaalsContact O-CG1 3.32Å; A4-I8 WeakPolarHBondContact O-CG1 3.5Å; A4-I8 PolarHBondContact O-N 3.01Å; A4-Q280 HydrophobicContact CB-CB 4.18Å
5I70.4Confident71.8Confident79 Ų7999.6 Ų99.641%0.40545%0.453SS..Hα-helixtrans-66.2-45.9179.5-62.1169.9000110.8M1 L3 E7 I8 M9M1-I5 HydrophobicContact CE-CD1 4.15Å; M1-I5 HydrophobicContact CG-CD1 4.1Å; M1-I5 PolarHBondContact O-N 3.47Å; L3-I5 PolarHBondContact O-N 3Å; I5-E7 PolarHBondContact O-N 3.37Å; I5-I8 PolarHBondContact O-N 3.04Å; I5-M9 WeakPolarHBondContact O-CG 3.11Å; I5-M9 PolarHBondContact O-N 3.18Å; I5-M9 VanDerWaalsContact O-N 3.15Å
6K70.3Confident72.7Confident147 Ų147100.1 Ų100.164%0.63946%0.459SS*.Hα-helixtrans-59.6-38.2177.3-80.6-171.9174-1710111.8K2 L3 M9 F10K2-K6 PolarHBondContact O-N 3.4Å; K2-K6 VanDerWaalsContact O-N 3.14Å; L3-K6 PolarHBondContact O-N 3.33Å; K6-M9 PolarHBondContact O-N 3.48Å; K6-F10 PolarHBondContact O-N 3.45Å; K6-F10 VanDerWaalsContact O-N 3.1Å
7E66.5Low73.6Confident41 Ų4198.8 Ų98.819%0.19246%0.456CS..Hα-helixtrans-69.6-39.4179.6-163.6176.3-167.500112.9L3 A4 I5 M9 F10 Y11 K256 Q259L3-E7 WeakPolarHBondContact O-CB 3.37Å; L3-E7 PolarHBondContact O-N 3.34Å; A4-E7 PolarHBondContact O-N 3.33Å; I5-E7 PolarHBondContact O-N 3.37Å; E7-M9 VanDerWaalsContact C-N 3.25Å; E7-M9 PolarHBondContact O-N 2.99Å; E7-F10 PolarHBondContact O-N 3.14Å; E7-F10 VanDerWaalsContact O-N 3.13Å; E7-Y11 HydrophobicContact CG-CD2 4.13Å; E7-Y11 PolarHBondContact O-N 3.41Å; E7-K256 IonicContact OE1-NZ 2.73Å; E7-K256 PolarHBondContact OE1-NZ 3.32Å; E7-K256 IonicContact OE2-NZ 2.61Å; E7-K256 PolarHBondContact OE2-NZ 3.4Å; E7-Q259 PolarHBondContact OE1-OE1 3.2Å
8I69.5Low74.3Confident41 Ų4193.8 Ų93.821%0.2143%0.433CS..Hα-helixtrans-58-41.7172.7-67.3168.1000110.5A4 I5 F10 Y15 Q280 L284A4-I8 VanDerWaalsContact O-CG1 3.32Å; A4-I8 WeakPolarHBondContact O-CG1 3.5Å; A4-I8 PolarHBondContact O-N 3.01Å; I5-I8 PolarHBondContact O-N 3.04Å; I8-F10 VanDerWaalsContact C-N 3.32Å; I8-F10 PolarHBondContact O-N 3.16Å; I8-Y15 HydrophobicContact CB-CD2 4.41Å; I8-Y15 HydrophobicContact CG1-CD1 4.28Å; I8-Y15 HydrophobicContact CG1-CD2 4.38Å; I8-Y15 HydrophobicContact CG1-CE1 4.45Å; I8-Y15 HydrophobicContact CG1-CG 4.24Å; I8-Y15 HydrophobicContact CG2-CG 4.4Å; I8-Q280 HydrophobicContact CD1-CG 4.31Å; I8-Q280 HydrophobicContact CG1-CG 4.34Å; I8-L284 HydrophobicContact CD1-CD2 4.32Å
9M72.9Confident75.2Confident115 Ų11590.2 Ų90.257%0.56742%0.418SS*.Hα-helixtrans-70.7-25.7178.4-65.9-164.7-46.400113.8I5 K6 E7 K12I5-M9 WeakPolarHBondContact O-CG 3.11Å; I5-M9 PolarHBondContact O-N 3.18Å; I5-M9 VanDerWaalsContact O-N 3.15Å; K6-M9 PolarHBondContact O-N 3.48Å; E7-M9 VanDerWaalsContact C-N 3.25Å; E7-M9 PolarHBondContact O-N 2.99Å; M9-K12 WeakPolarHBondContact O-CE 3.35Å; M9-K12 WeakPolarHBondContact O-CG 3.02Å
10F70.7Confident76.2Confident156 Ų15689.8 Ų89.868%0.68442%0.419SS*.Hα-helixtrans-81.8-47-179.2-166.6-92.8000111.3K6 E7 I8 K12K6-F10 PolarHBondContact O-N 3.45Å; K6-F10 VanDerWaalsContact O-N 3.1Å; E7-F10 PolarHBondContact O-N 3.14Å; E7-F10 VanDerWaalsContact O-N 3.13Å; I8-F10 VanDerWaalsContact C-N 3.32Å; I8-F10 PolarHBondContact O-N 3.16Å; F10-K12 PolarHBondContact O-N 2.87Å
11Y73.8Confident77Confident92 Ų9287 Ų8736%0.36141%0.407SS..SBendtrans-98.850.1-179.3-65.8-71.7000113E7 F13 R14 Y15 Q259E7-Y11 HydrophobicContact CG-CD2 4.13Å; E7-Y11 PolarHBondContact O-N 3.41Å; Y11-F13 VanDerWaalsContact C-N 3.32Å; Y11-F13 PolarHBondContact O-N 3.35Å; Y11-F13 VanDerWaalsContact O-N 3.15Å; Y11-R14 PolarHBondContact O-N 3.29Å; Y11-Y15 VanDerWaalsContact O-CD2 3.29Å; Y11-Y15 WeakPolarHBondContact O-CD2 3.43Å; Y11-Y15 PolarHBondContact O-N 2.86Å; Y11-Q259 VanDerWaalsContact CE2-NE2 3.34Å; Y11-Q259 VanDerWaalsContact CZ-NE2 3.32Å; Y11-Q259 PolarHBondContact OH-NE2 3.31Å
12K78.3Confident78.7Confident135 Ų13579.4 Ų79.459%0.58737%0.37SS*.Hα-helixtrans-49.3-47.5-169.8-57.5-175.6-176.4178.20113.4M9 F10 R14 Y15 I16M9-K12 WeakPolarHBondContact O-CE 3.35Å; M9-K12 WeakPolarHBondContact O-CG 3.02Å; F10-K12 PolarHBondContact O-N 2.87Å; K12-R14 PolarHBondContact O-N 3.04Å; K12-Y15 PolarHBondContact O-N 3.27Å; K12-I16 HydrophobicContact CB-CD1 4.2Å; K12-I16 WeakPolarHBondContact O-CB 3.32Å; K12-I16 WeakPolarHBondContact O-CD1 3.38Å; K12-I16 WeakPolarHBondContact O-CG1 3.43Å; K12-I16 PolarHBondContact O-N 3.15Å
13F79.7Confident79.8Confident163 Ų16372 Ų7272%0.71534%0.338SS*.Hα-helixtrans-61.1-46.6-174.1-172.3-102.2000113.1Y11 Y15 I16 L17Y11-F13 VanDerWaalsContact C-N 3.32Å; Y11-F13 PolarHBondContact O-N 3.35Å; Y11-F13 VanDerWaalsContact O-N 3.15Å; F13-Y15 PolarHBondContact O-N 3.32Å; F13-I16 PolarHBondContact O-N 2.61Å; F13-L17 HydrophobicContact CZ-CD1 4.47Å; F13-L17 PolarHBondContact O-N 3.12Å
14R78.8Confident81.2Confident78 Ų7871.8 Ų71.829%0.29434%0.337SS..Hα-helixtrans-62.5-45.3178.9179.3-178.1-74.6169.8-0.8111.1Y11 K12 L17 I18 Q255Y11-R14 PolarHBondContact O-N 3.29Å; K12-R14 PolarHBondContact O-N 3.04Å; R14-L17 PolarHBondContact O-N 3.45Å; R14-I18 HydrophobicContact CG-CD1 4.04Å; R14-I18 WeakPolarHBondContact O-CG1 3.46Å; R14-I18 PolarHBondContact O-N 3.37Å; R14-I18 VanDerWaalsContact O-N 3.1Å; R14-Q255 VanDerWaalsContact CZ-CD 3.49Å; R14-Q255 VanDerWaalsContact NH1-CB 3.26Å
15Y84.1Confident82.7Confident4 Ų473 Ų732%0.01634%0.343CS..Hα-helixtrans-71.4-34.7-178.2-73.7-66.5000113I8 Y11 K12 F13 I18 T19 M252 K256 Q280 L284I8-Y15 HydrophobicContact CB-CD2 4.41Å; I8-Y15 HydrophobicContact CG1-CD1 4.28Å; I8-Y15 HydrophobicContact CG1-CD2 4.38Å; I8-Y15 HydrophobicContact CG1-CE1 4.45Å; I8-Y15 HydrophobicContact CG1-CG 4.24Å; I8-Y15 HydrophobicContact CG2-CG 4.4Å; Y11-Y15 VanDerWaalsContact O-CD2 3.29Å; Y11-Y15 WeakPolarHBondContact O-CD2 3.43Å; Y11-Y15 PolarHBondContact O-N 2.86Å; K12-Y15 PolarHBondContact O-N 3.27Å; F13-Y15 PolarHBondContact O-N 3.32Å; Y15-I18 PolarHBondContact O-N 3.06Å; Y15-T19 WeakPolarHBondContact O-CB 3.44Å; Y15-T19 PolarHBondContact O-N 3.05Å; Y15-T19 PolarHBondContact O-OG1 3.13Å; Y15-M252 HydrophobicContact CE1-CE 4.07Å; Y15-M252 HydrophobicContact CE1-SD 3.89Å; Y15-K256 WeakPolarHBondContact OH-CE 3.32Å; Y15-K256 PolarHBondContact OH-NZ 3.36Å; Y15-Q280 VanDerWaalsContact CE1-CD 3.48Å; Y15-Q280 HydrophobicContact CE1-CG 3.97Å; Y15-Q280 VanDerWaalsContact CE1-NE2 3.3Å; Y15-Q280 PolarHBondContact OH-NE2 2.78Å; Y15-Q280 PolarHBondContact OH-OE1 3.25Å; Y15-L284 HydrophobicContact CD1-CD1 3.49Å; Y15-L284 VanDerWaalsContact CD1-CD1 3.49Å; Y15-L284 HydrophobicContact CD1-CD2 3.86Å; Y15-L284 HydrophobicContact CD1-CG 4.27Å; Y15-L284 HydrophobicContact CE1-CD1 3.81Å; Y15-L284 HydrophobicContact CG-CD2 4.43Å
16I86.8Confident83.9Confident107 Ų10769.2 Ų69.255%0.54932%0.324SS..Hα-helixtrans-60.7-47.6171-72.6165000109.8K12 F13 I18 T19 L20K12-I16 HydrophobicContact CB-CD1 4.2Å; K12-I16 WeakPolarHBondContact O-CB 3.32Å; K12-I16 WeakPolarHBondContact O-CD1 3.38Å; K12-I16 WeakPolarHBondContact O-CG1 3.43Å; K12-I16 PolarHBondContact O-N 3.15Å; F13-I16 PolarHBondContact O-N 2.61Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.34Å; I16-T19 PolarHBondContact O-N 3.35Å; I16-L20 VanDerWaalsContact O-CB 3.29Å; I16-L20 WeakPolarHBondContact O-CB 3.39Å; I16-L20 PolarHBondContact O-N 3.38Å
17L87.7Confident85.1Confident79 Ų7964 Ų6441%0.41430%0.302SS..Hα-helixtrans-60.5-43.3-179.3-160.7109.9000111.9F13 R14 L20 I21F13-L17 HydrophobicContact CZ-CD1 4.47Å; F13-L17 PolarHBondContact O-N 3.12Å; R14-L17 PolarHBondContact O-N 3.45Å; L17-L20 WeakPolarHBondContact O-CB 3.36Å; L17-L20 PolarHBondContact O-N 2.96Å; L17-I21 HydrophobicContact CD2-CD1 3.96Å; L17-I21 HydrophobicContact CG-CD1 4.42Å; L17-I21 WeakPolarHBondContact O-CD1 3.42Å; L17-I21 WeakPolarHBondContact O-CG1 3.29Å; L17-I21 PolarHBondContact O-N 3.44Å
18I86.9Confident86.5Confident9 Ų967.2 Ų67.25%0.04632%0.319CS..Hα-helixtrans-68.3-41.3178.6-67.1170.1000111.3R14 Y15 I16 L20 I21 I22 F249 M252 L284R14-I18 HydrophobicContact CG-CD1 4.04Å; R14-I18 WeakPolarHBondContact O-CG1 3.46Å; R14-I18 PolarHBondContact O-N 3.37Å; R14-I18 VanDerWaalsContact O-N 3.1Å; Y15-I18 PolarHBondContact O-N 3.06Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.34Å; I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 PolarHBondContact O-N 3.07Å; I18-I21 PolarHBondContact O-N 3.26Å; I18-I22 HydrophobicContact CG2-CD1 3.98Å; I18-I22 WeakPolarHBondContact O-CG1 3.16Å; I18-I22 PolarHBondContact O-N 3.44Å; I18-F249 HydrophobicContact CG2-CE1 4.14Å; I18-M252 HydrophobicContact CD1-CB 4.29Å; I18-M252 HydrophobicContact CD1-CE 3.34Å; I18-M252 HydrophobicContact CD1-CG 4.16Å; I18-M252 HydrophobicContact CG2-CE 4.18Å; I18-L284 HydrophobicContact CG2-CD1 4.46Å
19T91.4Very high87.7Confident24 Ų2465.4 Ų65.415%0.14731%0.309CS..Hα-helixtrans-62.3-38.5174.1-52.80000110.7Y15 I16 I22 L23 L284 I287Y15-T19 WeakPolarHBondContact O-CB 3.44Å; Y15-T19 PolarHBondContact O-N 3.05Å; Y15-T19 PolarHBondContact O-OG1 3.13Å; I16-T19 PolarHBondContact O-N 3.35Å; T19-I22 PolarHBondContact O-N 3.35Å; T19-L23 WeakPolarHBondContact O-CB 3.34Å; T19-L23 PolarHBondContact O-N 3.43Å; T19-L284 WeakPolarHBondContact OG1-CD2 3.26Å; T19-I287 HydrophobicContact CG2-CG2 4.05Å
20L94Very high88.8Confident83 Ų8360 Ų6044%0.43528%0.283SS..Hα-helixtrans-65.1-41.1176.1-176.867.2000111.7I16 L17 I18 L23 L24I16-L20 VanDerWaalsContact O-CB 3.29Å; I16-L20 WeakPolarHBondContact O-CB 3.39Å; I16-L20 PolarHBondContact O-N 3.38Å; L17-L20 WeakPolarHBondContact O-CB 3.36Å; L17-L20 PolarHBondContact O-N 2.96Å; I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 PolarHBondContact O-N 3.07Å; L20-L23 HydrophobicContact CD1-CD2 4.23Å; L20-L23 WeakPolarHBondContact O-CB 2.92Å; L20-L23 PolarHBondContact O-N 3.15Å; L20-L24 HydrophobicContact CD1-CD1 4.47Å; L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.13Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 3.27Å
21I92.9Very high90Very high30 Ų3055.7 Ų55.715%0.15426%0.264CS..Hα-helixtrans-63.5-48.2175.1-69.7154.3000110.5L17 I18 L23 L24 L25 V244 F248L17-I21 HydrophobicContact CD2-CD1 3.96Å; L17-I21 HydrophobicContact CG-CD1 4.42Å; L17-I21 WeakPolarHBondContact O-CD1 3.42Å; L17-I21 WeakPolarHBondContact O-CG1 3.29Å; L17-I21 PolarHBondContact O-N 3.44Å; I18-I21 PolarHBondContact O-N 3.26Å; I21-L23 VanDerWaalsContact C-N 3.28Å; I21-L23 PolarHBondContact O-N 2.88Å; I21-L24 PolarHBondContact O-N 2.85Å; I21-L25 HydrophobicContact CG2-CD1 3.88Å; I21-L25 HydrophobicContact CG2-CG 4.36Å; I21-L25 WeakPolarHBondContact O-CB 3.35Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.26Å; I21-L25 PolarHBondContact O-N 3.42Å; I21-V244 HydrophobicContact CG2-CG1 4.37Å; I21-F248 HydrophobicContact CD1-CD1 3.85Å; I21-F248 HydrophobicContact CD1-CD2 4.15Å; I21-F248 HydrophobicContact CD1-CE1 3.34Å; I21-F248 HydrophobicContact CD1-CE2 3.69Å; I21-F248 HydrophobicContact CD1-CG 4.24Å; I21-F248 HydrophobicContact CD1-CZ 3.27Å; I21-F248 HydrophobicContact CG1-CE2 4.36Å; I21-F248 HydrophobicContact CG1-CZ 4.24Å; I21-F248 HydrophobicContact CG2-CD2 4.01Å; I21-F248 HydrophobicContact CG2-CE2 3.85Å
22I93.9Very high90.9Very high0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-57.8-46.2176.2-67.7164000109.9I18 T19 L25 S26 L245 F249 L284 V289I18-I22 HydrophobicContact CG2-CD1 3.98Å; I18-I22 WeakPolarHBondContact O-CG1 3.16Å; I18-I22 PolarHBondContact O-N 3.44Å; T19-I22 PolarHBondContact O-N 3.35Å; I22-L25 PolarHBondContact O-N 3.34Å; I22-S26 WeakPolarHBondContact O-CB 3.41Å; I22-S26 PolarHBondContact O-N 3.25Å; I22-S26 PolarHBondContact O-OG 3.36Å; I22-L245 HydrophobicContact CD1-CD2 4.46Å; I22-L245 HydrophobicContact CG1-CD2 3.53Å; I22-F249 HydrophobicContact CD1-CE1 4.41Å; I22-F249 HydrophobicContact CD1-CZ 4.28Å; I22-L284 HydrophobicContact CD1-CB 4.23Å; I22-V289 HydrophobicContact CG2-CG2 4.05Å
23L96Very high91.7Very high25 Ų2547.2 Ų47.213%0.13123%0.231CC..Hα-helixtrans-56.3-52.6177.3172.362.7000111.3T19 L20 I21 S26 I27 G288 I291 A292 I295T19-L23 WeakPolarHBondContact O-CB 3.34Å; T19-L23 PolarHBondContact O-N 3.43Å; L20-L23 HydrophobicContact CD1-CD2 4.23Å; L20-L23 WeakPolarHBondContact O-CB 2.92Å; L20-L23 PolarHBondContact O-N 3.15Å; I21-L23 VanDerWaalsContact C-N 3.28Å; I21-L23 PolarHBondContact O-N 2.88Å; L23-S26 PolarHBondContact O-N 2.94Å; L23-I27 HydrophobicContact CD1-CD1 3.75Å; L23-I27 HydrophobicContact CD1-CG1 4.12Å; L23-I27 HydrophobicContact CG-CD1 3.93Å; L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.27Å; L23-I27 PolarHBondContact O-N 3.24Å; L23-G288 WeakPolarHBondContact CD1-O 3.3Å; L23-I291 HydrophobicContact CD1-CB 3.92Å; L23-I291 HydrophobicContact CD1-CG2 3.69Å; L23-I291 HydrophobicContact CD2-CG2 4.17Å; L23-A292 HydrophobicContact CD1-CB 3.74Å; L23-A292 VanDerWaalsContact CD1-N 3.3Å; L23-I295 HydrophobicContact CD1-CD1 4.2Å
24L96.2Very high92.4Very high94 Ų9439.4 Ų39.449%0.49220%0.197SC..Hα-helixtrans-63.1-45.3-178.3-72.2171.3000112.1L20 I21 S26 I27 M28L20-L24 HydrophobicContact CD1-CD1 4.47Å; L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.13Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 3.27Å; I21-L24 PolarHBondContact O-N 2.85Å; L24-S26 VanDerWaalsContact C-N 3.31Å; L24-S26 PolarHBondContact O-N 3.38Å; L24-I27 PolarHBondContact O-N 3.09Å; L24-M28 WeakPolarHBondContact O-CG 3.35Å; L24-M28 PolarHBondContact O-N 3.45Å
25L95.5Very high93.2Very high31 Ų3137.6 Ų37.616%0.16219%0.193CC..Hα-helixtrans-61.8-42.3175.9-68.3175.7000111.1I21 I22 M28 V29 T241 V244 L245I21-L25 HydrophobicContact CG2-CD1 3.88Å; I21-L25 HydrophobicContact CG2-CG 4.36Å; I21-L25 WeakPolarHBondContact O-CB 3.35Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.26Å; I21-L25 PolarHBondContact O-N 3.42Å; I22-L25 PolarHBondContact O-N 3.34Å; L25-M28 PolarHBondContact O-N 2.92Å; L25-V29 WeakPolarHBondContact O-CB 3.35Å; L25-V29 WeakPolarHBondContact O-CG2 3.29Å; L25-V29 PolarHBondContact O-N 3.44Å; L25-T241 HydrophobicContact CB-CG2 4.41Å; L25-T241 HydrophobicContact CD1-CG2 4.27Å; L25-V244 HydrophobicContact CD1-CB 4.26Å; L25-V244 HydrophobicContact CD1-CG1 3.87Å; L25-L245 HydrophobicContact CD1-CD2 4.14Å; L25-L245 HydrophobicContact CD1-CG 4.35Å
26S95.7Very high93.6Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-64.1-44.4177.6-56.70000111.9I22 L23 L24 V29 L30 V289 F323I22-S26 WeakPolarHBondContact O-CB 3.41Å; I22-S26 PolarHBondContact O-N 3.25Å; I22-S26 PolarHBondContact O-OG 3.36Å; L23-S26 PolarHBondContact O-N 2.94Å; L24-S26 VanDerWaalsContact C-N 3.31Å; L24-S26 PolarHBondContact O-N 3.38Å; S26-V29 PolarHBondContact O-N 3.17Å; S26-L30 VanDerWaalsContact O-CB 3.25Å; S26-L30 WeakPolarHBondContact O-CB 3.41Å; S26-L30 WeakPolarHBondContact O-CG 3.26Å; S26-L30 PolarHBondContact O-N 2.93Å; S26-V289 WeakPolarHBondContact OG-CG2 3.24Å; S26-F323 WeakPolarHBondContact OG-CE1 3.5Å; S26-F323 WeakPolarHBondContact OG-CZ 3.35Å
27I96.4Very high94Very high38 Ų3834.3 Ų34.320%0.19518%0.176CC..Hα-helixtrans-58.5-49.5174.5-72.8171.4000109.8L23 L24 V29 L30 F31 A292 I295 I296L23-I27 HydrophobicContact CD1-CD1 3.75Å; L23-I27 HydrophobicContact CD1-CG1 4.12Å; L23-I27 HydrophobicContact CG-CD1 3.93Å; L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.27Å; L23-I27 PolarHBondContact O-N 3.24Å; L24-I27 PolarHBondContact O-N 3.09Å; I27-V29 PolarHBondContact O-N 2.68Å; I27-L30 PolarHBondContact O-N 2.83Å; I27-F31 WeakPolarHBondContact O-CB 3.42Å; I27-F31 PolarHBondContact O-N 2.94Å; I27-A292 HydrophobicContact CG1-CB 3.82Å; I27-I295 HydrophobicContact CD1-CB 4.46Å; I27-I295 HydrophobicContact CD1-CD1 4.03Å; I27-I295 HydrophobicContact CD1-CG2 4.08Å; I27-I296 HydrophobicContact CG2-CD1 4.05Å
28M95.3Very high94.3Very high108 Ų10830.7 Ų30.753%0.53216%0.158SC..Hα-helixtrans-59.4-48.6179.8-76.3-170.770.500112L24 L25 F31 I32L24-M28 WeakPolarHBondContact O-CG 3.35Å; L24-M28 PolarHBondContact O-N 3.45Å; L25-M28 PolarHBondContact O-N 2.92Å; M28-F31 PolarHBondContact O-N 3.26Å; M28-I32 WeakPolarHBondContact O-CB 3.32Å; M28-I32 VanDerWaalsContact O-CG1 3.28Å; M28-I32 WeakPolarHBondContact O-CG1 3.33Å; M28-I32 PolarHBondContact O-N 3.15Å
29V95Very high94.6Very high2 Ų232.5 Ų32.51%0.01217%0.167CC..Hα-helixtrans-64.5-47.7-178.7173.30000111.3L25 S26 I27 F31 S33 L237 F238 F323L25-V29 WeakPolarHBondContact O-CB 3.35Å; L25-V29 WeakPolarHBondContact O-CG2 3.29Å; L25-V29 PolarHBondContact O-N 3.44Å; S26-V29 PolarHBondContact O-N 3.17Å; I27-V29 PolarHBondContact O-N 2.68Å; V29-F31 VanDerWaalsContact C-N 3.32Å; V29-F31 PolarHBondContact O-N 2.82Å; V29-S33 VanDerWaalsContact O-CB 3.27Å; V29-S33 WeakPolarHBondContact O-CB 3.44Å; V29-S33 PolarHBondContact O-N 2.79Å; V29-L237 HydrophobicContact CG2-CB 3.97Å; V29-F238 HydrophobicContact CG1-CD1 4.3Å; V29-F238 HydrophobicContact CG1-CD2 4.35Å; V29-F238 HydrophobicContact CG1-CE1 3.72Å; V29-F238 HydrophobicContact CG1-CE2 3.76Å; V29-F238 HydrophobicContact CG1-CZ 3.42Å; V29-F238 VanDerWaalsContact CG1-CZ 3.42Å; V29-F323 HydrophobicContact CB-CE2 3.96Å; V29-F323 HydrophobicContact CB-CZ 4.16Å; V29-F323 HydrophobicContact CG1-CE2 4.04Å; V29-F323 HydrophobicContact CG2-CE2 4.28Å; V29-F323 HydrophobicContact CG2-CZ 4.04Å
30L95.8Very high94.7Very high3 Ų331.6 Ų31.62%0.01616%0.162CC..Hα-helixtrans-61.2-42.7177.5-72.2170.4000111.2S26 I27 S33 G34 A292 V293 I296 M319S26-L30 VanDerWaalsContact O-CB 3.25Å; S26-L30 WeakPolarHBondContact O-CB 3.41Å; S26-L30 WeakPolarHBondContact O-CG 3.26Å; S26-L30 PolarHBondContact O-N 2.93Å; I27-L30 PolarHBondContact O-N 2.83Å; L30-S33 PolarHBondContact O-N 2.89Å; L30-G34 PolarHBondContact O-N 3.26Å; L30-A292 HydrophobicContact CD1-CB 4.08Å; L30-V293 HydrophobicContact CD1-CG2 3.82Å; L30-I296 HydrophobicContact CB-CD1 4.32Å; L30-I296 HydrophobicContact CB-CG1 3.86Å; L30-I296 HydrophobicContact CB-CG2 4.29Å; L30-I296 HydrophobicContact CD1-CB 4.47Å; L30-I296 HydrophobicContact CD1-CG1 4.06Å; L30-M319 HydrophobicContact CD2-CB 4.01Å; L30-M319 HydrophobicContact CD2-SD 3.69Å
31F95Very high94.7Very high64 Ų6429.3 Ų29.328%0.28115%0.148SC..Hα-helixtrans-66.2-49.4-178.2-174.1-101.6000112.1I27 M28 V29 S33 G34 L35 I296 M303 M307 F309I27-F31 WeakPolarHBondContact O-CB 3.42Å; I27-F31 PolarHBondContact O-N 2.94Å; M28-F31 PolarHBondContact O-N 3.26Å; V29-F31 VanDerWaalsContact C-N 3.32Å; V29-F31 PolarHBondContact O-N 2.82Å; F31-S33 VanDerWaalsContact C-N 3.32Å; F31-S33 PolarHBondContact O-N 3.27Å; F31-G34 PolarHBondContact O-N 2.71Å; F31-L35 HydrophobicContact CD1-CD1 3.93Å; F31-L35 HydrophobicContact CE1-CD1 3.49Å; F31-L35 VanDerWaalsContact CE1-CD1 3.49Å; F31-L35 HydrophobicContact CE1-CG 4.31Å; F31-L35 HydrophobicContact CZ-CD1 4.06Å; F31-L35 PolarHBondContact O-N 2.8Å; F31-I296 HydrophobicContact CB-CD1 3.85Å; F31-I296 HydrophobicContact CD2-CD1 4.23Å; F31-M303 HydrophobicContact CE2-SD 4.16Å; F31-M307 HydrophobicContact CE1-CE 4.46Å; F31-M307 HydrophobicContact CE2-CE 3.78Å; F31-M307 HydrophobicContact CZ-CE 3.45Å; F31-M307 VanDerWaalsContact CZ-CE 3.45Å; F31-F309 HydrophobicContact CD2-CD2 4.4Å; F31-F309 AromaticContact CD2-CE2 3.81Å; F31-F309 HydrophobicContact CD2-CE2 3.81Å; F31-F309 HydrophobicContact CE2-CD2 4.44Å; F31-F309 HydrophobicContact CE2-CE2 4.28Å; F31-F309 HydrophobicContact CG-CE2 4.44Å
32I94.2Very high94.8Very high44 Ų4428.8 Ų28.823%0.22615%0.145CC..Hα-helixtrans-64.5-39.4178.2-65.5-62.8000110.9M28 G34 L35 A36 M233 L237M28-I32 WeakPolarHBondContact O-CB 3.32Å; M28-I32 VanDerWaalsContact O-CG1 3.28Å; M28-I32 WeakPolarHBondContact O-CG1 3.33Å; M28-I32 PolarHBondContact O-N 3.15Å; I32-G34 VanDerWaalsContact C-N 3.33Å; I32-L35 PolarHBondContact O-N 2.92Å; I32-A36 WeakPolarHBondContact O-CB 3.44Å; I32-A36 PolarHBondContact O-N 3.47Å; I32-M233 HydrophobicContact CG2-CG 4.21Å; I32-M233 HydrophobicContact CG2-SD 3.5Å; I32-M233 WeakPolarHBondContact CG2-SD 3.46Å; I32-L237 HydrophobicContact CB-CD1 3.73Å; I32-L237 HydrophobicContact CG1-CD1 3.98Å; I32-L237 HydrophobicContact CG2-CD1 3.61Å
33S94.7Very high94.8Very high5 Ų528.8 Ų28.84%0.03515%0.145CC..Hα-helixtrans-68.1-35176.2-165.30000112.4V29 L30 F31 A36 Q37 M319V29-S33 VanDerWaalsContact O-CB 3.27Å; V29-S33 WeakPolarHBondContact O-CB 3.44Å; V29-S33 PolarHBondContact O-N 2.79Å; L30-S33 PolarHBondContact O-N 2.89Å; F31-S33 VanDerWaalsContact C-N 3.32Å; F31-S33 PolarHBondContact O-N 3.27Å; S33-A36 PolarHBondContact O-N 3.2Å; S33-Q37 WeakPolarHBondContact O-CB 3.46Å; S33-Q37 VanDerWaalsContact O-CG 3.28Å; S33-Q37 WeakPolarHBondContact O-CG 3.45Å; S33-Q37 PolarHBondContact O-N 3.03Å; S33-Q37 PolarHBondContact OG-NE2 3.15Å; S33-M319 WeakPolarHBondContact OG-CE 3.39Å
34G95.1Very high94.8Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-65-39173.700000113L30 F31 I32 G38 Y310 L311L30-G34 PolarHBondContact O-N 3.26Å; F31-G34 PolarHBondContact O-N 2.71Å; I32-G34 VanDerWaalsContact C-N 3.33Å; G34-G38 PolarHBondContact O-N 3Å; G34-Y310 WeakPolarHBondContact CA-O 3.38Å; G34-Y310 PolarHBondContact O-N 3.24Å; G34-L311 VanDerWaalsContact CA-CD2 3.45Å
35L94.2Very high94.7Very high39 Ų3924.6 Ų24.620%0.20412%0.123CC..Hα-helixtrans-65.6-45.6171.9-77.2176.4000112.4F31 I32 Q37 G38 L39 M307 P308 F309F31-L35 HydrophobicContact CD1-CD1 3.93Å; F31-L35 HydrophobicContact CE1-CD1 3.49Å; F31-L35 VanDerWaalsContact CE1-CD1 3.49Å; F31-L35 HydrophobicContact CE1-CG 4.31Å; F31-L35 HydrophobicContact CZ-CD1 4.06Å; F31-L35 PolarHBondContact O-N 2.8Å; I32-L35 PolarHBondContact O-N 2.92Å; L35-Q37 VanDerWaalsContact C-N 3.34Å; L35-Q37 PolarHBondContact O-N 3.45Å; L35-G38 PolarHBondContact O-N 3.36Å; L35-L39 WeakPolarHBondContact O-CG 3.24Å; L35-L39 PolarHBondContact O-N 3.48Å; L35-M307 HydrophobicContact CD2-CE 3.6Å; L35-M307 HydrophobicContact CD2-CG 4.24Å; L35-M307 HydrophobicContact CG-CE 4.35Å; L35-P308 WeakPolarHBondContact CA-O 3.46Å; L35-P308 HydrophobicContact CD2-CG 4.5Å; L35-F309 HydrophobicContact CD2-CD2 4.3Å; L35-F309 HydrophobicContact CG-CD2 4.22Å
36A94Very high94.7Very high4 Ų423.1 Ų23.13%0.03312%0.115CC..Hα-helixtrans-59.7-45.2178.500000112I32 S33 G40 L230 I234I32-A36 WeakPolarHBondContact O-CB 3.44Å; I32-A36 PolarHBondContact O-N 3.47Å; S33-A36 PolarHBondContact O-N 3.2Å; A36-G40 PolarHBondContact O-N 3.32Å; A36-L230 HydrophobicContact CB-CB 3.95Å; A36-L230 HydrophobicContact CB-CD1 4.03Å; A36-L230 HydrophobicContact CB-CD2 3.76Å; A36-L230 HydrophobicContact CB-CG 4.12Å; A36-I234 HydrophobicContact CB-CD1 3.82Å
37Q93.4Very high94.6Very high38 Ų3823.1 Ų23.118%0.17812%0.115CC..Hα-helixtrans-68.2-38.5176.5-73.9173.143.700112.2S33 L35 G40 R41 Y310 N315S33-Q37 WeakPolarHBondContact O-CB 3.46Å; S33-Q37 VanDerWaalsContact O-CG 3.28Å; S33-Q37 WeakPolarHBondContact O-CG 3.45Å; S33-Q37 PolarHBondContact O-N 3.03Å; S33-Q37 PolarHBondContact OG-NE2 3.15Å; L35-Q37 VanDerWaalsContact C-N 3.34Å; L35-Q37 PolarHBondContact O-N 3.45Å; Q37-G40 PolarHBondContact O-N 3.05Å; Q37-R41 VanDerWaalsContact O-CB 3.31Å; Q37-R41 WeakPolarHBondContact O-CB 3.42Å; Q37-R41 PolarHBondContact O-N 2.95Å; Q37-Y310 VanDerWaalsContact CB-O 3.28Å; Q37-Y310 WeakPolarHBondContact CB-O 3.5Å; Q37-Y310 PolarHBondContact OE1-O 3.36Å; Q37-N315 VanDerWaalsContact CD-ND2 3.26Å; Q37-N315 PolarHBondContact OE1-ND2 3.46Å
38G94.2Very high94.3Very high3 Ų325.3 Ų25.33%0.03112%0.124CC..Hα-helixtrans-63.5-42.7175.800000112.3G34 L35 R41 E42 P308G34-G38 PolarHBondContact O-N 3Å; L35-G38 PolarHBondContact O-N 3.36Å; G38-R41 WeakPolarHBondContact O-CB 3.41Å; G38-R41 PolarHBondContact O-N 3.47Å; G38-R41 VanDerWaalsContact O-N 3.15Å; G38-E42 WeakPolarHBondContact O-CG 3.27Å; G38-E42 PolarHBondContact O-N 3.43Å; G38-P308 WeakPolarHBondContact CA-O 3.28Å
39L93.4Very high94Very high48 Ų4821.2 Ų21.225%0.25110%0.104SC..Hα-helixtrans-61.8-44.7173.5-74.7169.6000111.6L35 R41 E42 N43 L230 P308L35-L39 WeakPolarHBondContact O-CG 3.24Å; L35-L39 PolarHBondContact O-N 3.48Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3.39Å; L39-E42 PolarHBondContact O-N 3.19Å; L39-N43 PolarHBondContact O-N 2.79Å; L39-N43 PolarHBondContact O-ND2 3.39Å; L39-L230 HydrophobicContact CB-CD1 4.21Å; L39-L230 HydrophobicContact CD1-CD1 4.34Å; L39-L230 HydrophobicContact CD1-CD2 4.37Å; L39-P308 HydrophobicContact CD2-CB 3.99Å; L39-P308 HydrophobicContact CD2-CG 3.7Å; L39-P308 HydrophobicContact CG-CB 4.13Å; L39-P308 HydrophobicContact CG-CG 3.97Å
40G94.1Very high93.7Very high4 Ų421.3 Ų21.34%0.04110%0.104CC..Hα-helixtrans-56.3-43.4171.900000112.5A36 Q37 N43 I44A36-G40 PolarHBondContact O-N 3.32Å; Q37-G40 PolarHBondContact O-N 3.05Å; G40-N43 WeakPolarHBondContact O-CB 3.5Å; G40-N43 PolarHBondContact O-N 3.43Å; G40-N43 VanDerWaalsContact O-N 3.16Å; G40-I44 PolarHBondContact O-N 3.1Å
41R94Very high93Very high36 Ų3626.9 Ų26.914%0.13613%0.134CC..Hα-helixtrans-66.9-35.8179.5-171.7168.3-172.3-120.5-4.7112.9Q37 G38 L39 N43 I44 S45 E48 D162 Y310Q37-R41 VanDerWaalsContact O-CB 3.31Å; Q37-R41 WeakPolarHBondContact O-CB 3.42Å; Q37-R41 PolarHBondContact O-N 2.95Å; G38-R41 WeakPolarHBondContact O-CB 3.41Å; G38-R41 PolarHBondContact O-N 3.47Å; G38-R41 VanDerWaalsContact O-N 3.15Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3.39Å; R41-N43 PolarHBondContact O-N 3.31Å; R41-N43 VanDerWaalsContact O-N 3.16Å; R41-I44 PolarHBondContact O-N 2.98Å; R41-I44 VanDerWaalsContact O-N 3.13Å; R41-S45 WeakPolarHBondContact O-CA 3.38Å; R41-S45 WeakPolarHBondContact O-CB 3.3Å; R41-S45 PolarHBondContact O-N 2.91Å; R41-S45 PolarHBondContact O-OG 2.88Å; R41-S45 VanDerWaalsContact O-OG 3.08Å; R41-E48 IonicContact CZ-OE2 3.12Å; R41-E48 VanDerWaalsContact CZ-OE2 3.29Å; R41-E48 IonicContact NE-OE1 3.54Å; R41-E48 PolarHBondContact NE-OE1 3.35Å; R41-E48 IonicContact NE-OE2 3.77Å; R41-E48 PolarHBondContact NE-OE2 2.79Å; R41-E48 IonicContact NH2-OE2 2.77Å; R41-E48 PolarHBondContact NH2-OE2 2.96Å; R41-D162 IonicContact CZ-OD2 3.02Å; R41-D162 IonicContact NH1-OD2 3.36Å; R41-D162 PolarHBondContact NH1-OD2 2.88Å; R41-D162 IonicContact NH2-OD2 2.87Å; R41-Y310 VanDerWaalsContact CD-CD1 3.46Å; R41-Y310 VanDerWaalsContact CD-CG 3.45Å; R41-Y310 VanDerWaalsContact CZ-CE2 3.44Å; R41-Y310 VanDerWaalsContact NH1-CD2 3.32Å; R41-Y310 VanDerWaalsContact NH1-CE2 3.29Å
42E94.6Very high92.4Very high19 Ų1924.3 Ų24.39%0.08912%0.123CC..Hα-helixtrans-62.3-21.6173.8-70.1-163.517100113.5G38 L39 K133 M164 H167 P308G38-E42 WeakPolarHBondContact O-CG 3.27Å; G38-E42 PolarHBondContact O-N 3.43Å; L39-E42 PolarHBondContact O-N 3.19Å; E42-K133 IonicContact OE1-NZ 3.91Å; E42-K133 PolarHBondContact OE1-NZ 3.27Å; E42-K133 IonicContact OE2-NZ 3.8Å; E42-K133 PolarHBondContact OE2-NZ 3.5Å; E42-M164 HydrophobicContact CB-CE 4.36Å; E42-M164 HydrophobicContact CB-SD 4.15Å; E42-M164 HydrophobicContact CG-CE 4.37Å; E42-M164 HydrophobicContact CG-SD 3.8Å; E42-M164 VanDerWaalsContact O-CB 3.29Å; E42-M164 WeakPolarHBondContact O-CB 3.49Å; E42-H167 WeakPolarHBondContact CB-ND1 3.34Å; E42-H167 PolarHBondContact O-N 3.41Å; E42-H167 IonicContact OE2-CE1 2.68Å; E42-H167 IonicContact OE2-ND1 3.85Å; E42-H167 PolarHBondContact OE2-ND1 2.85Å; E42-P308 HydrophobicContact CG-CB 4.23Å; E42-P308 WeakPolarHBondContact OE1-CB 3.45Å
43N95.1Very high92Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-80.9-36174.2-73.5-79.3000113L39 G40 R41 A166 H167 S222 Y223 E226L39-N43 PolarHBondContact O-N 2.79Å; L39-N43 PolarHBondContact O-ND2 3.39Å; G40-N43 WeakPolarHBondContact O-CB 3.5Å; G40-N43 PolarHBondContact O-N 3.43Å; G40-N43 VanDerWaalsContact O-N 3.16Å; R41-N43 PolarHBondContact O-N 3.31Å; R41-N43 VanDerWaalsContact O-N 3.16Å; N43-A166 PolarHBondContact O-N 3.46Å; N43-A166 VanDerWaalsContact O-N 3.1Å; N43-H167 PolarHBondContact ND2-CE1 3.23Å; N43-H167 PolarHBondContact ND2-NE2 2.99Å; N43-H167 PolarHBondContact OD1-CD2 2.93Å; N43-H167 PolarHBondContact OD1-NE2 3.01Å; N43-S222 VanDerWaalsContact OD1-CB 3.25Å; N43-S222 WeakPolarHBondContact OD1-CB 3.25Å; N43-S222 PolarHBondContact OD1-OG 3.36Å; N43-Y223 HydrophobicContact CB-CD2 3.77Å; N43-Y223 HydrophobicContact CB-CG 4.27Å; N43-Y223 PolarHBondContact OD1-N 3.32Å; N43-E226 PolarHBondContact ND2-OE2 2.85Å
44I94.7Very high92Very high28 Ų2828.6 Ų28.614%0.14415%0.145CC..Hα-helixtrans-120.5-3.6-165.170.9176.4000115G40 R41 L46 F47 T217 I220 Y223G40-I44 PolarHBondContact O-N 3.1Å; R41-I44 PolarHBondContact O-N 2.98Å; R41-I44 VanDerWaalsContact O-N 3.13Å; I44-L46 PolarHBondContact O-N 3.45Å; I44-F47 HydrophobicContact CB-CD2 4.15Å; I44-F47 WeakPolarHBondContact O-CB 3.43Å; I44-F47 WeakPolarHBondContact O-CD2 3.18Å; I44-F47 PolarHBondContact O-N 3.02Å; I44-T217 HydrophobicContact CB-CG2 3.97Å; I44-T217 HydrophobicContact CG2-CG2 3.66Å; I44-I220 HydrophobicContact CG2-CD1 4.11Å; I44-Y223 HydrophobicContact CD1-CE2 4.2Å; I44-Y223 HydrophobicContact CG2-CD2 3.82Å; I44-Y223 HydrophobicContact CG2-CE2 3.9Å; I44-Y223 HydrophobicContact CG2-CG 4.21Å
45S94.6Very high92Very high2 Ų228.6 Ų28.61%0.01415%0.145CC..Hα-helixtrans-59.1-23.2-174.650.10000114.5R41 F47 E48 H49 D162 M164R41-S45 WeakPolarHBondContact O-CA 3.38Å; R41-S45 WeakPolarHBondContact O-CB 3.3Å; R41-S45 PolarHBondContact O-N 2.91Å; R41-S45 PolarHBondContact O-OG 2.88Å; R41-S45 VanDerWaalsContact O-OG 3.08Å; S45-F47 VanDerWaalsContact C-N 3.26Å; S45-F47 PolarHBondContact O-N 3.19Å; S45-E48 PolarHBondContact O-N 2.94Å; S45-H49 PolarHBondContact O-CE1 3.48Å; S45-H49 PolarHBondContact O-ND1 2.95Å; S45-D162 WeakPolarHBondContact CB-O 3.42Å; S45-D162 PolarHBondContact OG-O 2.91Å; S45-M164 WeakPolarHBondContact OG-CA 3.37Å; S45-M164 WeakPolarHBondContact OG-CB 3.46Å; S45-M164 PolarHBondContact OG-N 3.25Å; S45-M164 PolarHBondContact OG-O 3.1Å; S45-M164 VanDerWaalsContact OG-O 3.06Å
46L94.9Very high92.1Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-55.3-42.7169175.961.1000111.7I44 H49 F50 I65 M106 I114 T163 M164 Y165 I170 F188I44-L46 PolarHBondContact O-N 3.45Å; L46-H49 PolarHBondContact O-N 3.34Å; L46-F50 HydrophobicContact CD1-CE2 3.78Å; L46-F50 HydrophobicContact CD1-CZ 3.9Å; L46-F50 HydrophobicContact CG-CE2 3.86Å; L46-F50 HydrophobicContact CG-CZ 4.48Å; L46-F50 WeakPolarHBondContact O-CD2 3.33Å; L46-F50 WeakPolarHBondContact O-CE2 3.35Å; L46-I65 HydrophobicContact CD2-CD1 3.99Å; L46-M106 HydrophobicContact CD1-CE 4.03Å; L46-M106 HydrophobicContact CD1-SD 3.85Å; L46-M106 HydrophobicContact CD2-CE 4.26Å; L46-M106 HydrophobicContact CD2-SD 3.97Å; L46-I114 HydrophobicContact CD1-CD1 4.04Å; L46-T163 HydrophobicContact CD1-CG2 3.95Å; L46-M164 VanDerWaalsContact CB-O 3.31Å; L46-M164 WeakPolarHBondContact CB-O 3.35Å; L46-M164 PolarHBondContact N-O 2.94Å; L46-Y165 HydrophobicContact CD2-CD2 4.13Å; L46-Y165 HydrophobicContact CD2-CG 4.3Å; L46-I170 HydrophobicContact CD1-CG1 4.49Å; L46-F188 HydrophobicContact CD2-CZ 4.38Å
47F93.5Very high92.3Very high0 Ų026.6 Ų26.60%013%0.134CC..Hα-helixtrans-69.8-32-178.7-57.9-76000112.3I44 S45 H49 F50 Y55 I65 Y165 E213 L216 T217 I220I44-F47 HydrophobicContact CB-CD2 4.15Å; I44-F47 WeakPolarHBondContact O-CB 3.43Å; I44-F47 WeakPolarHBondContact O-CD2 3.18Å; I44-F47 PolarHBondContact O-N 3.02Å; S45-F47 VanDerWaalsContact C-N 3.26Å; S45-F47 PolarHBondContact O-N 3.19Å; F47-H49 PolarHBondContact O-N 3.37Å; F47-F50 PolarHBondContact O-N 3.44Å; F47-Y55 AromaticContact CD1-CE1 3.63Å; F47-Y55 HydrophobicContact CD1-CE1 3.63Å; F47-Y55 HydrophobicContact CD1-CE2 4.18Å; F47-Y55 AromaticContact CD1-CZ 3.49Å; F47-Y55 VanDerWaalsContact CD1-CZ 3.49Å; F47-Y55 WeakPolarHBondContact CD1-OH 3.39Å; F47-Y55 HydrophobicContact CE1-CD1 4.38Å; F47-Y55 AromaticContact CE1-CE1 3.9Å; F47-Y55 HydrophobicContact CE1-CE1 3.9Å; F47-I65 HydrophobicContact CE1-CD1 4.19Å; F47-I65 HydrophobicContact CZ-CD1 3.84Å; F47-I65 HydrophobicContact CZ-CG1 4.44Å; F47-Y165 AromaticContact CE2-CD2 3.86Å; F47-Y165 HydrophobicContact CE2-CD2 3.86Å; F47-Y165 AromaticContact CE2-CE2 3.61Å; F47-Y165 HydrophobicContact CE2-CE2 3.61Å; F47-Y165 HydrophobicContact CZ-CD2 4.22Å; F47-Y165 AromaticContact CZ-CE2 3.71Å; F47-Y165 HydrophobicContact CZ-CE2 3.71Å; F47-E213 HydrophobicContact CB-CG 4.09Å; F47-E213 HydrophobicContact CD1-CG 4.36Å; F47-E213 HydrophobicContact CG-CG 4.25Å; F47-L216 HydrophobicContact CE1-CB 4.31Å; F47-L216 HydrophobicContact CE1-CD1 3.97Å; F47-L216 HydrophobicContact CZ-CB 4.18Å; F47-L216 HydrophobicContact CZ-CD1 4.49Å; F47-T217 HydrophobicContact CD2-CG2 3.63Å; F47-T217 HydrophobicContact CE2-CG2 3.87Å; F47-T217 HydrophobicContact CG-CG2 4.21Å; F47-I220 HydrophobicContact CE2-CD1 3.98Å
48E90.5Very high92.4Very high84 Ų8426.6 Ų26.639%0.39313%0.134SC..Hα-helixtrans-60.2-20.2176.5-62.7-177.617600113.5R41 S45 F50R41-E48 IonicContact CZ-OE2 3.12Å; R41-E48 VanDerWaalsContact CZ-OE2 3.29Å; R41-E48 IonicContact NE-OE1 3.54Å; R41-E48 PolarHBondContact NE-OE1 3.35Å; R41-E48 IonicContact NE-OE2 3.77Å; R41-E48 PolarHBondContact NE-OE2 2.79Å; R41-E48 IonicContact NH2-OE2 2.77Å; R41-E48 PolarHBondContact NH2-OE2 2.96Å; S45-E48 PolarHBondContact O-N 2.94Å; E48-F50 VanDerWaalsContact C-N 3.32Å
49H88.8Confident92.5Very high22 Ų2232.5 Ų32.510%0.10216%0.159CC..THydrogen-bonded Turntrans-81-16.4176.5-68.281.3000112.9S45 L46 F47 I114 N161 T163S45-H49 PolarHBondContact O-CE1 3.48Å; S45-H49 PolarHBondContact O-ND1 2.95Å; L46-H49 PolarHBondContact O-N 3.34Å; F47-H49 PolarHBondContact O-N 3.37Å; H49-I114 HydrophobicContact CB-CG2 4.25Å; H49-I114 VanDerWaalsContact CD2-CG2 3.46Å; H49-I114 WeakPolarHBondContact CD2-CG2 3.42Å; H49-N161 PolarHBondContact CE1-O 3.02Å; H49-N161 PolarHBondContact NE2-O 2.83Å; H49-T163 PolarHBondContact CE1-OG1 3.38Å; H49-T163 PolarHBondContact NE2-OG1 2.88Å
50F88.1Confident92.6Very high5 Ų532.1 Ų32.12%0.02216%0.156CC..SBendtrans-103.4111.5178.3-52.1-49.7000107.9L46 F47 E48 N52 Y55 Y87 Q112 I114 F188 P190L46-F50 HydrophobicContact CD1-CE2 3.78Å; L46-F50 HydrophobicContact CD1-CZ 3.9Å; L46-F50 HydrophobicContact CG-CE2 3.86Å; L46-F50 HydrophobicContact CG-CZ 4.48Å; L46-F50 WeakPolarHBondContact O-CD2 3.33Å; L46-F50 WeakPolarHBondContact O-CE2 3.35Å; F47-F50 PolarHBondContact O-N 3.44Å; E48-F50 VanDerWaalsContact C-N 3.32Å; F50-N52 HydrophobicContact CB-CB 4.22Å; F50-N52 PolarHBondContact O-N 3.45Å; F50-Y55 HydrophobicContact CD2-CE1 4.12Å; F50-Y87 HydrophobicContact CD1-CE2 4.38Å; F50-Y87 HydrophobicContact CE1-CD2 4.25Å; F50-Y87 HydrophobicContact CE1-CE1 4.46Å; F50-Y87 AromaticContact CE1-CE2 3.49Å; F50-Y87 HydrophobicContact CE1-CE2 3.49Å; F50-Y87 VanDerWaalsContact CE1-CE2 3.49Å; F50-Y87 AromaticContact CE1-CZ 3.62Å; F50-Y87 HydrophobicContact CZ-CD2 4.14Å; F50-Y87 HydrophobicContact CZ-CE1 4.37Å; F50-Y87 AromaticContact CZ-CE2 3.8Å; F50-Y87 HydrophobicContact CZ-CE2 3.8Å; F50-Y87 AromaticContact CZ-CZ 3.91Å; F50-Q112 HydrophobicContact CD1-CG 4.19Å; F50-I114 HydrophobicContact CE1-CG1 4.16Å; F50-I114 HydrophobicContact CZ-CD1 4.41Å; F50-I114 HydrophobicContact CZ-CG1 4.35Å; F50-F188 HydrophobicContact CE2-CE2 4.06Å; F50-F188 HydrophobicContact CE2-CZ 4.28Å; F50-P190 HydrophobicContact CB-CB 4.06Å; F50-P190 HydrophobicContact CD1-CB 4.3Å; F50-P190 HydrophobicContact CD1-CG 4.06Å; F50-P190 HydrophobicContact CD2-CB 4.07Å; F50-P190 HydrophobicContact CD2-CG 4.39Å; F50-P190 HydrophobicContact CE1-CG 4.28Å; F50-P190 HydrophobicContact CG-CB 3.88Å; F50-P190 HydrophobicContact CG-CG 4.13Å
51D81.9Confident92.5Very high119 Ų11941.4 Ų41.464%0.63620%0.196SC*.  trans-74.350.1175.1-179.425.8000110.8K192D51-K192 WeakPolarHBondContact O-CD 3.31Å; D51-K192 WeakPolarHBondContact O-CE 3.45Å; D51-K192 WeakPolarHBondContact O-CG 3.44Å; D51-K192 PolarHBondContact O-NZ 2.9Å; D51-K192 IonicContact OD1-NZ 3.69Å; D51-K192 PolarHBondContact OD1-NZ 3.24Å; D51-K192 IonicContact OD2-NZ 3.73Å; D51-K192 PolarHBondContact OD2-NZ 3.42Å
52N82.3Confident92.5Very high11 Ų1145.3 Ų45.36%0.05922%0.215CC..  trans-133.5130.8-164.4-68.2-2000110.9F50 Q112 P190 V191 K192F50-N52 HydrophobicContact CB-CB 4.22Å; F50-N52 PolarHBondContact O-N 3.45Å; N52-Q112 VanDerWaalsContact CG-NE2 3.28Å; N52-Q112 VanDerWaalsContact ND2-CD 3.3Å; N52-Q112 PolarHBondContact ND2-NE2 2.88Å; N52-Q112 PolarHBondContact ND2-OE1 2.95Å; N52-Q112 PolarHBondContact OD1-NE2 2.85Å; N52-P190 HydrophobicContact CB-CB 4.46Å; N52-P190 VanDerWaalsContact ND2-CB 3.25Å; N52-P190 WeakPolarHBondContact ND2-CB 3.4Å; N52-P190 PolarHBondContact ND2-O 3.25Å; N52-V191 WeakPolarHBondContact CB-O 3.24Å; N52-V191 PolarHBondContact ND2-N 2.93Å; N52-V191 VanDerWaalsContact ND2-N 3.16Å; N52-K192 WeakPolarHBondContact OD1-CB 3.41Å
53D86.2Confident92.4Very high103 Ų10345 Ų4555%0.55122%0.215SC*.SBendtrans-88.2-16-177.7-53.6-44.8000113.1S212 E213D53-S212 WeakPolarHBondContact O-CA 3.33Å; D53-E213 PolarHBondContact O-N 3.31Å
54E94.6Very high92.4Very high36 Ų3646 Ų4617%0.16822%0.219CC..EExtended strand (participates in β ladder)trans-134.2156.2-170.5-69.4176.5124.800112.1V191 R199 V210 V211E54-V191 HydrophobicContact CB-CG2 3.87Å; E54-V191 PolarHBondContact N-O 3.44Å; E54-V191 VanDerWaalsContact O-CG2 3.3Å; E54-V191 WeakPolarHBondContact O-CG2 3.11Å; E54-V191 PolarHBondContact O-N 3.19Å; E54-R199 IonicContact OE1-CZ 2.63Å; E54-R199 IonicContact OE1-NH1 3.24Å; E54-R199 PolarHBondContact OE1-NH1 3.26Å; E54-R199 IonicContact OE2-NH1 2.95Å; E54-R199 PolarHBondContact OE2-NH1 3.17Å; E54-V210 HydrophobicContact CB-CG1 3.96Å; E54-V210 HydrophobicContact CG-CG1 4.26Å; E54-V211 CarbonylContact C-O 3.54Å; E54-V211 VanDerWaalsContact CA-O 3.29Å; E54-V211 WeakPolarHBondContact CA-O 3.41Å
55Y95.9Very high92.4Very high0 Ų044.6 Ų44.60%021%0.212CC..EExtended strand (participates in β ladder)trans-139.4138.9-177.1-63.7-101.8000110F47 F50 F188 Y189 P190 V210 V211 E213 L216F47-Y55 AromaticContact CD1-CE1 3.63Å; F47-Y55 HydrophobicContact CD1-CE1 3.63Å; F47-Y55 HydrophobicContact CD1-CE2 4.18Å; F47-Y55 AromaticContact CD1-CZ 3.49Å; F47-Y55 VanDerWaalsContact CD1-CZ 3.49Å; F47-Y55 WeakPolarHBondContact CD1-OH 3.39Å; F47-Y55 HydrophobicContact CE1-CD1 4.38Å; F47-Y55 AromaticContact CE1-CE1 3.9Å; F47-Y55 HydrophobicContact CE1-CE1 3.9Å; F50-Y55 HydrophobicContact CD2-CE1 4.12Å; Y55-F188 HydrophobicContact CD1-CD2 4.06Å; Y55-F188 HydrophobicContact CD1-CE2 4.4Å; Y55-F188 HydrophobicContact CE1-CE2 4.48Å; Y55-Y189 CarbonylContact C-O 3.43Å; Y55-Y189 VanDerWaalsContact CA-O 3.24Å; Y55-Y189 WeakPolarHBondContact CA-O 3.18Å; Y55-P190 HydrophobicContact CD1-CB 3.82Å; Y55-P190 HydrophobicContact CE1-CB 3.51Å; Y55-V210 CarbonylContact O-C 3.54Å; Y55-V210 WeakPolarHBondContact O-CA 3.46Å; Y55-V211 PolarHBondContact N-O 3.32Å; Y55-V211 WeakPolarHBondContact O-CG2 3.44Å; Y55-V211 PolarHBondContact O-N 2.83Å; Y55-E213 HydrophobicContact CD2-CB 4.43Å; Y55-E213 HydrophobicContact CE2-CB 3.76Å; Y55-E213 HydrophobicContact CE2-CG 3.97Å; Y55-L216 VanDerWaalsContact CB-CD1 3.45Å; Y55-L216 HydrophobicContact CD1-CD1 3.89Å; Y55-L216 HydrophobicContact CD2-CD1 3.64Å; Y55-L216 HydrophobicContact CE2-CD1 4.47Å; Y55-L216 HydrophobicContact CG-CD1 3.36Å
56V96.6Very high92.3Very high0 Ų047.3 Ų47.30%023%0.225CC..EExtended strand (participates in β ladder)trans-96.6120.9171-167.90000108.7I78 F188 Y189 V191 L202 V208 V210V56-I78 HydrophobicContact CG1-CD1 3.89Å; V56-I78 HydrophobicContact CG1-CG1 4.26Å; V56-I78 HydrophobicContact CG1-CG2 4.39Å; V56-F188 WeakPolarHBondContact O-CA 3.25Å; V56-Y189 HydrophobicContact CB-CD2 4.18Å; V56-Y189 HydrophobicContact CB-CG 4.47Å; V56-Y189 PolarHBondContact N-O 2.85Å; V56-Y189 PolarHBondContact O-N 3.1Å; V56-V191 HydrophobicContact CG2-CG1 4.06Å; V56-V191 HydrophobicContact CG2-CG2 4.03Å; V56-L202 HydrophobicContact CG1-CD2 4.34Å; V56-L202 HydrophobicContact CG2-CD1 3.8Å; V56-L202 HydrophobicContact CG2-CD2 4.5Å; V56-V208 HydrophobicContact CG1-CG1 3.41Å; V56-V208 VanDerWaalsContact CG1-CG1 3.41Å; V56-V210 HydrophobicContact CG2-CG2 4.38Å
57V96.8Very high92.2Very high0 Ų052.8 Ų52.80%025%0.249CC..EExtended strand (participates in β ladder)trans-138.5170.2-177.3-63.30000110.6P63 I65 S68 F188 Q209 V211 L216V57-P63 HydrophobicContact CG2-CB 4.42Å; V57-I65 HydrophobicContact CG1-CG2 4.11Å; V57-S68 WeakPolarHBondContact CA-OG 3.38Å; V57-F188 HydrophobicContact CG1-CB 3.92Å; V57-Q209 HydrophobicContact CG2-CG 4.01Å; V57-Q209 PolarHBondContact N-O 3.31Å; V57-Q209 PolarHBondContact O-N 2.97Å; V57-V211 HydrophobicContact CG1-CG2 4.46Å; V57-V211 HydrophobicContact CG2-CG1 4.02Å; V57-V211 HydrophobicContact CG2-CG2 3.68Å; V57-L216 HydrophobicContact CG1-CD2 4.38Å
58Q96.5Very high92.3Very high38 Ų3852.8 Ų52.818%0.17825%0.249CC..EExtended strand (participates in β ladder)trans-59.8143.6168.6-172-178.24.800110.7M60 S68 L70 D207 Q209Q58-M60 HydrophobicContact CB-CE 4.38Å; Q58-M60 WeakPolarHBondContact O-CE 3.27Å; Q58-M60 PolarHBondContact O-N 2.75Å; Q58-S68 PolarHBondContact N-OG 2.87Å; Q58-L70 HydrophobicContact CB-CD2 4.09Å; Q58-D207 CarbonylContact C-O 3.54Å; Q58-D207 WeakPolarHBondContact CA-O 3.2Å; Q58-D207 WeakPolarHBondContact CG-O 3.34Å; Q58-D207 PolarHBondContact NE2-OD2 3.24Å; Q58-Q209 PolarHBondContact O-NE2 2.72Å
59K95.9Very high92.4Very high127 Ų12754.9 Ų54.955%0.55226%0.259SS*.  trans-65.4118.4176.1-169169.9-175.8172.90110.9D207 Q209K59-D207 PolarHBondContact N-O 3.34Å; K59-Q209 HydrophobicContact CB-CG 4.36Å
60M94.2Very high92.7Very high40 Ų4054.3 Ų54.320%0.19726%0.256CS..  trans-144.7149.9-179.2-69.3176.2-78.900109Q58 E62 Q64 K67 Q209Q58-M60 HydrophobicContact CB-CE 4.38Å; Q58-M60 WeakPolarHBondContact O-CE 3.27Å; Q58-M60 PolarHBondContact O-N 2.75Å; M60-E62 VanDerWaalsContact C-N 3.31Å; M60-Q64 WeakPolarHBondContact CE-O 3.46Å; M60-K67 HydrophobicContact SD-CB 3.98Å; M60-Q209 PolarHBondContact O-NE2 3.4Å; M60-Q209 VanDerWaalsContact O-NE2 3.08Å
61K92.7Very high92.9Very high200 Ų20056.7 Ų56.787%0.8727%0.274SS*.SBendtrans-64.1-39.1174.2-172-175.2175.9-167.20111.8
62E93.5Very high93.4Very high118 Ų11856.4 Ų56.455%0.55127%0.272SS*.SBendtrans-121.494.5176-71.7167.1-16600107.3M60 Q64M60-E62 VanDerWaalsContact C-N 3.31Å; E62-Q64 PolarHBondContact O-N 2.81Å
63P94.1Very high93.9Very high11 Ų1160.6 Ų60.67%0.07130%0.298CS..  trans-62.2126.5-174.3-25.434.6000113.4V57 V211 L216 N219V57-P63 HydrophobicContact CG2-CB 4.42Å; P63-V211 HydrophobicContact CB-CB 4.47Å; P63-V211 HydrophobicContact CB-CG1 3.99Å; P63-V211 HydrophobicContact CB-CG2 4.39Å; P63-V211 HydrophobicContact CG-CB 4.48Å; P63-V211 HydrophobicContact CG-CG1 3.72Å; P63-L216 HydrophobicContact CB-CD2 3.77Å; P63-N219 WeakPolarHBondContact CD-ND2 3.45Å; P63-N219 VanDerWaalsContact O-CB 3.24Å; P63-N219 WeakPolarHBondContact O-CB 3.49Å
64Q94.1Very high94.4Very high21 Ų2156.8 Ų56.810%0.09828%0.277CS..  trans-138.8122.6178.1-68.2-177-50.800110.7M60 E62 E66 K67 S68 N219M60-Q64 WeakPolarHBondContact CE-O 3.46Å; E62-Q64 PolarHBondContact O-N 2.81Å; Q64-E66 VanDerWaalsContact C-N 3.28Å; Q64-E66 PolarHBondContact O-N 2.96Å; Q64-K67 HydrophobicContact CB-CB 4.28Å; Q64-K67 HydrophobicContact CB-CD 4.42Å; Q64-K67 HydrophobicContact CB-CG 4.27Å; Q64-K67 PolarHBondContact O-N 3.27Å; Q64-S68 PolarHBondContact O-N 3.43Å; Q64-N219 HydrophobicContact CG-CB 4.1Å; Q64-N219 PolarHBondContact NE2-O 3.44Å
65I94.3Very high94.4Very high0 Ų055.8 Ų55.80%027%0.272CS..G310 helixtrans-66.1-31.2-174.558.6168.9000112.8L46 F47 V57 K67 S68 M89 Y165 T186 F188 L216L46-I65 HydrophobicContact CD2-CD1 3.99Å; F47-I65 HydrophobicContact CE1-CD1 4.19Å; F47-I65 HydrophobicContact CZ-CD1 3.84Å; F47-I65 HydrophobicContact CZ-CG1 4.44Å; V57-I65 HydrophobicContact CG1-CG2 4.11Å; I65-K67 PolarHBondContact O-N 3.42Å; I65-S68 PolarHBondContact O-N 3.26Å; I65-M89 HydrophobicContact CB-SD 4.29Å; I65-M89 HydrophobicContact CD1-CE 4.5Å; I65-M89 HydrophobicContact CD1-SD 3.82Å; I65-M89 HydrophobicContact CG1-SD 3.88Å; I65-Y165 HydrophobicContact CD1-CD2 3.91Å; I65-Y165 HydrophobicContact CD1-CE1 4.39Å; I65-Y165 HydrophobicContact CD1-CE2 3.53Å; I65-Y165 HydrophobicContact CD1-CG 4.49Å; I65-Y165 HydrophobicContact CG1-CE1 4.13Å; I65-Y165 HydrophobicContact CG1-CE2 3.73Å; I65-Y165 VanDerWaalsContact CG1-CZ 3.48Å; I65-Y165 WeakPolarHBondContact CG1-OH 3.43Å; I65-T186 VanDerWaalsContact O-CB 3.29Å; I65-T186 WeakPolarHBondContact O-CB 3.2Å; I65-T186 PolarHBondContact O-OG1 2.79Å; I65-F188 HydrophobicContact CB-CB 4.43Å; I65-F188 HydrophobicContact CB-CD1 4.01Å; I65-F188 HydrophobicContact CB-CG 4.23Å; I65-F188 HydrophobicContact CD1-CD1 4.36Å; I65-F188 HydrophobicContact CD1-CE1 4.01Å; I65-F188 HydrophobicContact CD1-CZ 4.2Å; I65-F188 HydrophobicContact CG2-CB 4.11Å; I65-F188 HydrophobicContact CG2-CD1 4.33Å; I65-F188 HydrophobicContact CG2-CD2 4.4Å; I65-F188 HydrophobicContact CG2-CG 4.04Å; I65-L216 HydrophobicContact CG2-CD1 3.68Å; I65-L216 HydrophobicContact CG2-CD2 3.85Å; I65-L216 HydrophobicContact CG2-CG 4.36Å
66E92.2Very high94.4Very high59 Ų5960.3 Ų60.328%0.27630%0.296SS..G310 helixtrans-73.3-4.7176.375.1-81.6-162.700113.4Q64 M89 Y165 T186Q64-E66 VanDerWaalsContact C-N 3.28Å; Q64-E66 PolarHBondContact O-N 2.96Å; E66-M89 HydrophobicContact CB-CE 4.03Å; E66-Y165 HydrophobicContact CB-CE1 4.24Å; E66-Y165 HydrophobicContact CG-CE1 4.46Å; E66-Y165 WeakPolarHBondContact OE2-CE1 3.28Å; E66-Y165 PolarHBondContact OE2-OH 3.43Å; E66-T186 VanDerWaalsContact C-CG2 3.46Å; E66-T186 WeakPolarHBondContact O-CG2 3.27Å
67K93.1Very high94.3Very high114 Ų11464.4 Ų64.450%0.49632%0.316SS..G310 helixtrans-116.5-1.5173.5-61.6-171.4-174.2163.90113.8M60 Q64 I65 Q69M60-K67 HydrophobicContact SD-CB 3.98Å; Q64-K67 HydrophobicContact CB-CB 4.28Å; Q64-K67 HydrophobicContact CB-CD 4.42Å; Q64-K67 HydrophobicContact CB-CG 4.27Å; Q64-K67 PolarHBondContact O-N 3.27Å; I65-K67 PolarHBondContact O-N 3.42Å; K67-Q69 PolarHBondContact O-N 3.38Å
68S95.4Very high94.2Very high0 Ų064.4 Ų64.40%032%0.316CS..  trans-73.696.6-176.2-178.90000112.1V57 Q58 Q64 I65 L70 T186 A187V57-S68 WeakPolarHBondContact CA-OG 3.38Å; Q58-S68 PolarHBondContact N-OG 2.87Å; Q64-S68 PolarHBondContact O-N 3.43Å; I65-S68 PolarHBondContact O-N 3.26Å; S68-L70 PolarHBondContact O-N 3.18Å; S68-T186 CarbonylContact O-C 3.58Å; S68-T186 WeakPolarHBondContact O-CA 3.5Å; S68-T186 WeakPolarHBondContact O-CB 3.41Å; S68-A187 VanDerWaalsContact CB-O 3.25Å; S68-A187 WeakPolarHBondContact CB-O 3.36Å; S68-A187 PolarHBondContact O-N 3.25Å; S68-A187 PolarHBondContact OG-O 3.16Å
69Q93.8Very high94.1Very high129 Ų12966.4 Ų66.460%0.60332%0.324SS*.  trans-97.180179.8-63.3-17610.300110.9K67K67-Q69 PolarHBondContact O-N 3.38Å
70L94.4Very high94Very high9 Ų968 Ų685%0.04733%0.33CS..  trans-82.3120.8174-60.7173.9000110.1Q58 S68 Q75 I78 A187 Y189 V208Q58-L70 HydrophobicContact CB-CD2 4.09Å; S68-L70 PolarHBondContact O-N 3.18Å; L70-Q75 HydrophobicContact CB-CG 4.03Å; L70-Q75 PolarHBondContact O-NE2 3.44Å; L70-I78 HydrophobicContact CD1-CD1 3.9Å; L70-I78 HydrophobicContact CD2-CD1 4.46Å; L70-A187 HydrophobicContact CB-CB 4.22Å; L70-A187 HydrophobicContact CD1-CB 4.34Å; L70-A187 WeakPolarHBondContact CD1-O 3.46Å; L70-Y189 HydrophobicContact CD1-CD2 4.13Å; L70-Y189 HydrophobicContact CD1-CE2 3.76Å; L70-V208 HydrophobicContact CD2-CG2 3.81Å
71S92.9Very high94Very high56 Ų5667 Ų6739%0.39233%0.326SS..  trans-64157.6173.365.50000112.4T73 Q74 Q75S71-T73 PolarHBondContact O-N 2.89Å; S71-Q74 PolarHBondContact O-N 3.41Å; S71-Q74 VanDerWaalsContact OG-CD 3.31Å; S71-Q74 WeakPolarHBondContact OG-CG 3.38Å; S71-Q74 PolarHBondContact OG-N 3.45Å; S71-Q74 PolarHBondContact OG-OE1 3.43Å; S71-Q75 WeakPolarHBondContact O-CG 3.31Å; S71-Q75 PolarHBondContact O-N 3.47Å
72D91.5Very high94Very high113 Ų11358.6 Ų58.660%0.60429%0.291SS*.Hα-helixtrans-57.2-34.2177.6-65.7-34.9000112.6Q75 N76D72-Q75 PolarHBondContact O-N 3.42Å; D72-N76 WeakPolarHBondContact O-CB 3.15Å; D72-N76 VanDerWaalsContact O-CG 3.27Å; D72-N76 PolarHBondContact O-N 3.01Å; D72-N76 PolarHBondContact O-ND2 2.92Å
73T94.1Very high93.8Very high98 Ų9859.9 Ų59.960%0.60130%0.297SS*.Hα-helixtrans-63.6-46.9175.1-53.20000111.3S71 N76 Q77S71-T73 PolarHBondContact O-N 2.89Å; T73-N76 PolarHBondContact O-N 3.3Å; T73-Q77 WeakPolarHBondContact O-CG 3.37Å; T73-Q77 PolarHBondContact O-N 3.28Å; T73-Q77 VanDerWaalsContact O-N 3.08Å
74Q95.5Very high93.6Very high23 Ų2360.1 Ų60.111%0.10730%0.297CS..Hα-helixtrans-64.8-43.6176.6-71.4160.3-48.700110.9S71 N76 Q77 I78 I205 N206 V208S71-Q74 PolarHBondContact O-N 3.41Å; S71-Q74 VanDerWaalsContact OG-CD 3.31Å; S71-Q74 WeakPolarHBondContact OG-CG 3.38Å; S71-Q74 PolarHBondContact OG-N 3.45Å; S71-Q74 PolarHBondContact OG-OE1 3.43Å; Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 2.95Å; Q74-Q77 PolarHBondContact O-N 2.88Å; Q74-Q77 VanDerWaalsContact O-N 3.1Å; Q74-I78 VanDerWaalsContact O-CG1 3.3Å; Q74-I78 WeakPolarHBondContact O-CG1 3.25Å; Q74-I78 PolarHBondContact O-N 3.17Å; Q74-I205 HydrophobicContact CB-CG2 4.38Å; Q74-I205 HydrophobicContact CG-CG2 4.03Å; Q74-N206 PolarHBondContact NE2-O 2.82Å; Q74-V208 HydrophobicContact CB-CG2 4.31Å; Q74-V208 HydrophobicContact CG-CG2 4.23Å
75Q94.9Very high93.6Very high16 Ų1662.4 Ų62.48%0.07531%0.307CS..Hα-helixtrans-57.4-44.3176.8-68.9177.741.700111.3L70 S71 D72 Q77 I78 K79 P86 Y189L70-Q75 HydrophobicContact CB-CG 4.03Å; L70-Q75 PolarHBondContact O-NE2 3.44Å; S71-Q75 WeakPolarHBondContact O-CG 3.31Å; S71-Q75 PolarHBondContact O-N 3.47Å; D72-Q75 PolarHBondContact O-N 3.42Å; Q75-Q77 VanDerWaalsContact C-N 3.34Å; Q75-Q77 PolarHBondContact O-N 3.08Å; Q75-I78 PolarHBondContact O-N 3.32Å; Q75-K79 VanDerWaalsContact O-CB 3.3Å; Q75-K79 WeakPolarHBondContact O-CB 3.35Å; Q75-K79 PolarHBondContact O-N 3.49Å; Q75-P86 HydrophobicContact CG-CG 4.44Å; Q75-Y189 VanDerWaalsContact CA-OH 3.27Å; Q75-Y189 WeakPolarHBondContact CA-OH 3.46Å; Q75-Y189 VanDerWaalsContact CB-OH 3.26Å; Q75-Y189 WeakPolarHBondContact CB-OH 3.41Å; Q75-Y189 WeakPolarHBondContact CG-OH 3.43Å; Q75-Y189 PolarHBondContact O-OH 2.95Å
76N94.9Very high93.6Very high95 Ų9562.6 Ų62.651%0.50831%0.309SS..Hα-helixtrans-64.8-35176.2-76.2-40.5000113.2D72 T73 Q74 K80D72-N76 WeakPolarHBondContact O-CB 3.15Å; D72-N76 VanDerWaalsContact O-CG 3.27Å; D72-N76 PolarHBondContact O-N 3.01Å; D72-N76 PolarHBondContact O-ND2 2.92Å; T73-N76 PolarHBondContact O-N 3.3Å; Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 2.95Å; N76-K80 WeakPolarHBondContact O-CG 3.15Å; N76-K80 PolarHBondContact O-N 3.1Å
77Q95.3Very high93.7Very high86 Ų8659.8 Ų59.840%0.40230%0.296SS..Hα-helixtrans-69.6-46.2175.1-72175.6-53.100111.4T73 Q74 Q75 K79 K80 V81 I205T73-Q77 WeakPolarHBondContact O-CG 3.37Å; T73-Q77 PolarHBondContact O-N 3.28Å; T73-Q77 VanDerWaalsContact O-N 3.08Å; Q74-Q77 PolarHBondContact O-N 2.88Å; Q74-Q77 VanDerWaalsContact O-N 3.1Å; Q75-Q77 VanDerWaalsContact C-N 3.34Å; Q75-Q77 PolarHBondContact O-N 3.08Å; Q77-K79 PolarHBondContact O-N 3.41Å; Q77-K80 WeakPolarHBondContact O-CB 3.29Å; Q77-K80 PolarHBondContact O-N 2.88Å; Q77-V81 PolarHBondContact O-N 3.46Å; Q77-I205 HydrophobicContact CB-CD1 3.71Å; Q77-I205 HydrophobicContact CB-CG1 4.18Å
78I95.7Very high93.9Very high0 Ų055.9 Ų55.90%028%0.279CS..Hα-helixtrans-59-48.6177-66.2163.9000109.9V56 L70 Q74 Q75 K80 V81 I82 Y189 L202 I205 V208V56-I78 HydrophobicContact CG1-CD1 3.89Å; V56-I78 HydrophobicContact CG1-CG1 4.26Å; V56-I78 HydrophobicContact CG1-CG2 4.39Å; L70-I78 HydrophobicContact CD1-CD1 3.9Å; L70-I78 HydrophobicContact CD2-CD1 4.46Å; Q74-I78 VanDerWaalsContact O-CG1 3.3Å; Q74-I78 WeakPolarHBondContact O-CG1 3.25Å; Q74-I78 PolarHBondContact O-N 3.17Å; Q75-I78 PolarHBondContact O-N 3.32Å; I78-K80 PolarHBondContact O-N 3.13Å; I78-K80 VanDerWaalsContact O-N 3.16Å; I78-V81 WeakPolarHBondContact O-CA 3.37Å; I78-V81 WeakPolarHBondContact O-CB 3.38Å; I78-V81 PolarHBondContact O-N 2.85Å; I78-I82 HydrophobicContact CG2-CD1 3.55Å; I78-I82 HydrophobicContact CG2-CG1 3.81Å; I78-I82 WeakPolarHBondContact O-CG1 3.28Å; I78-I82 PolarHBondContact O-N 3.48Å; I78-Y189 HydrophobicContact CB-CE2 4.16Å; I78-Y189 HydrophobicContact CD1-CD2 4.16Å; I78-Y189 HydrophobicContact CD1-CE2 3.69Å; I78-Y189 HydrophobicContact CG2-CD1 4Å; I78-Y189 HydrophobicContact CG2-CD2 3.79Å; I78-Y189 HydrophobicContact CG2-CE1 3.9Å; I78-Y189 HydrophobicContact CG2-CE2 3.74Å; I78-Y189 HydrophobicContact CG2-CG 3.92Å; I78-L202 HydrophobicContact CB-CD2 4.24Å; I78-L202 HydrophobicContact CG1-CD2 4.02Å; I78-L202 HydrophobicContact CG2-CD2 3.95Å; I78-I205 HydrophobicContact CG1-CD1 3.76Å; I78-V208 HydrophobicContact CD1-CG1 4.1Å; I78-V208 HydrophobicContact CD1-CG2 4.19Å; I78-V208 HydrophobicContact CG1-CG1 4.43Å
79K93.8Very high93.9Very high79 Ų7956 Ų5634%0.34328%0.28SS..Hα-helixtrans-56.5-32.6178.5-179.4173.9170.4178.20113.4Q75 Q77 V81 H83 E85Q75-K79 VanDerWaalsContact O-CB 3.3Å; Q75-K79 WeakPolarHBondContact O-CB 3.35Å; Q75-K79 PolarHBondContact O-N 3.49Å; Q77-K79 PolarHBondContact O-N 3.41Å; K79-V81 VanDerWaalsContact C-N 3.29Å; K79-V81 PolarHBondContact O-N 3.34Å; K79-H83 WeakPolarHBondContact O-CA 3.36Å; K79-H83 PolarHBondContact O-N 2.89Å; K79-E85 WeakPolarHBondContact CE-OE1 3.32Å; K79-E85 IonicContact NZ-OE1 2.58Å; K79-E85 PolarHBondContact NZ-OE1 3.09Å; K79-E85 IonicContact NZ-OE2 3.52Å
80K93.7Very high94Very high160 Ų16052.3 Ų52.370%0.69626%0.264SS*.Hα-helixtrans-68.4-27.9174.7-72.7172-177.7-178.70113.2N76 Q77 I78 H83N76-K80 WeakPolarHBondContact O-CG 3.15Å; N76-K80 PolarHBondContact O-N 3.1Å; Q77-K80 WeakPolarHBondContact O-CB 3.29Å; Q77-K80 PolarHBondContact O-N 2.88Å; I78-K80 PolarHBondContact O-N 3.13Å; I78-K80 VanDerWaalsContact O-N 3.16Å; K80-H83 PolarHBondContact O-CE1 2.89Å
81V93.9Very high94Very high19 Ų1956.5 Ų56.512%0.11529%0.285CS..Hα-helixtrans-86.2-44.4-179.1-177.50000111.2Q77 I78 K79 Q198 E201 L202Q77-V81 PolarHBondContact O-N 3.46Å; I78-V81 WeakPolarHBondContact O-CA 3.37Å; I78-V81 WeakPolarHBondContact O-CB 3.38Å; I78-V81 PolarHBondContact O-N 2.85Å; K79-V81 VanDerWaalsContact C-N 3.29Å; K79-V81 PolarHBondContact O-N 3.34Å; V81-Q198 HydrophobicContact CG1-CB 3.92Å; V81-Q198 HydrophobicContact CG1-CG 3.9Å; V81-Q198 PolarHBondContact O-NE2 2.77Å; V81-E201 HydrophobicContact CG1-CB 4.21Å; V81-E201 HydrophobicContact CG2-CB 4.17Å; V81-L202 HydrophobicContact CB-CD2 4.15Å; V81-L202 HydrophobicContact CG1-CD2 4.27Å; V81-L202 HydrophobicContact CG1-CG 4.09Å; V81-L202 HydrophobicContact CG2-CD2 4.46Å
82I92.2Very high94.1Very high24 Ų2455.4 Ų55.412%0.12327%0.274CS..Hα-helixtrans-109.7-6.9-171.465.8169.6000114.8I78 Q84 Y189 V191 L194 L202I78-I82 HydrophobicContact CG2-CD1 3.55Å; I78-I82 HydrophobicContact CG2-CG1 3.81Å; I78-I82 WeakPolarHBondContact O-CG1 3.28Å; I78-I82 PolarHBondContact O-N 3.48Å; I82-Q84 VanDerWaalsContact C-N 3.25Å; I82-Q84 HydrophobicContact CD1-CB 4.15Å; I82-Q84 HydrophobicContact CG1-CB 4.16Å; I82-Q84 PolarHBondContact O-N 3.02Å; I82-Y189 HydrophobicContact CD1-CD1 3.58Å; I82-Y189 HydrophobicContact CD1-CE1 4.38Å; I82-Y189 HydrophobicContact CD1-CG 3.82Å; I82-V191 HydrophobicContact CD1-CG1 3.59Å; I82-V191 HydrophobicContact CG2-CG1 4.37Å; I82-L194 HydrophobicContact CG2-CD2 3.87Å; I82-L202 HydrophobicContact CG2-CD1 4.05Å; I82-L202 HydrophobicContact CG2-CD2 4.45Å
83H90.9Very high94.3Very high145 Ų14551.4 Ų51.467%0.67125%0.254SS*.  trans57.831.2175.7-56.283.5000115.1K79 K80K79-H83 WeakPolarHBondContact O-CA 3.36Å; K79-H83 PolarHBondContact O-N 2.89Å; K80-H83 PolarHBondContact O-CE1 2.89Å
84Q89.9Confident94.4Very high17 Ų1746.8 Ų46.88%0.07923%0.225CC..  trans-125.5147.9-176.6172.7179.121.100110.7I82 Y189 P190I82-Q84 VanDerWaalsContact C-N 3.25Å; I82-Q84 HydrophobicContact CD1-CB 4.15Å; I82-Q84 HydrophobicContact CG1-CB 4.16Å; I82-Q84 PolarHBondContact O-N 3.02Å; Q84-Y189 HydrophobicContact CG-CD1 4.31Å; Q84-Y189 WeakPolarHBondContact O-CE1 3.05Å; Q84-P190 PolarHBondContact NE2-O 3.48Å; Q84-P190 VanDerWaalsContact NE2-O 3.11Å; Q84-P190 PolarHBondContact OE1-O 3.4Å
85E92.4Very high94.2Very high68 Ų6850.6 Ų50.632%0.31824%0.241SC..PPolyproline II helixtrans-82.5145.9168.9-59.8-59.1155.500110.9K79 V109K79-E85 WeakPolarHBondContact CE-OE1 3.32Å; K79-E85 IonicContact NZ-OE1 2.58Å; K79-E85 PolarHBondContact NZ-OE1 3.09Å; K79-E85 IonicContact NZ-OE2 3.52Å; E85-V109 HydrophobicContact CB-CG1 4.26Å
86P94.4Very high93.9Very high5 Ų551.1 Ų51.13%0.03224%0.244CC..PPolyproline II helixtrans-67.3145.7177.322.6-27.5000111.6Q75 K88 N107 V109 A187 Y189Q75-P86 HydrophobicContact CG-CG 4.44Å; P86-K88 HydrophobicContact CB-CG 4.49Å; P86-K88 HydrophobicContact CG-CG 4.43Å; P86-N107 PolarHBondContact O-ND2 2.88Å; P86-N107 VanDerWaalsContact O-ND2 3.09Å; P86-V109 WeakPolarHBondContact O-CG2 3.43Å; P86-A187 HydrophobicContact CB-CB 4.07Å; P86-Y189 VanDerWaalsContact CA-CE1 3.45Å; P86-Y189 HydrophobicContact CB-CD1 4.27Å; P86-Y189 HydrophobicContact CB-CD2 4.45Å; P86-Y189 HydrophobicContact CB-CE1 3.68Å; P86-Y189 HydrophobicContact CB-CE2 3.83Å; P86-Y189 VanDerWaalsContact CB-CZ 3.41Å; P86-Y189 WeakPolarHBondContact CB-OH 3.15Å; P86-Y189 WeakPolarHBondContact CD-OH 3.36Å; P86-Y189 HydrophobicContact CG-CE1 4.11Å; P86-Y189 WeakPolarHBondContact CG-OH 3.44Å; P86-Y189 VanDerWaalsContact N-CE1 3.26Å
87Y95.5Very high93.3Very high0 Ų052.6 Ų52.60%026%0.262CS..EExtended strand (participates in β ladder)trans-73126.9152.3-84.2-76000108.9F50 M106 N107 V109 Q112 I114 A187 F188 P190F50-Y87 HydrophobicContact CD1-CE2 4.38Å; F50-Y87 HydrophobicContact CE1-CD2 4.25Å; F50-Y87 HydrophobicContact CE1-CE1 4.46Å; F50-Y87 AromaticContact CE1-CE2 3.49Å; F50-Y87 HydrophobicContact CE1-CE2 3.49Å; F50-Y87 VanDerWaalsContact CE1-CE2 3.49Å; F50-Y87 AromaticContact CE1-CZ 3.62Å; F50-Y87 HydrophobicContact CZ-CD2 4.14Å; F50-Y87 HydrophobicContact CZ-CE1 4.37Å; F50-Y87 AromaticContact CZ-CE2 3.8Å; F50-Y87 HydrophobicContact CZ-CE2 3.8Å; F50-Y87 AromaticContact CZ-CZ 3.91Å; Y87-M106 HydrophobicContact CD1-CE 3.43Å; Y87-M106 VanDerWaalsContact CD1-CE 3.43Å; Y87-M106 HydrophobicContact CE1-CE 4.1Å; Y87-M106 HydrophobicContact CG-CE 3.97Å; Y87-N107 WeakPolarHBondContact CA-OD1 3.3Å; Y87-N107 WeakPolarHBondContact CD1-O 3.5Å; Y87-N107 WeakPolarHBondContact CE1-O 3.4Å; Y87-V109 HydrophobicContact CD1-CB 4.45Å; Y87-V109 HydrophobicContact CD1-CG2 3.69Å; Y87-V109 HydrophobicContact CD2-CB 4.32Å; Y87-V109 HydrophobicContact CD2-CG2 3.85Å; Y87-V109 HydrophobicContact CE1-CB 3.94Å; Y87-V109 HydrophobicContact CE1-CG2 3.66Å; Y87-V109 HydrophobicContact CE2-CB 3.77Å; Y87-V109 HydrophobicContact CE2-CG1 4.38Å; Y87-V109 HydrophobicContact CE2-CG2 3.81Å; Y87-V109 HydrophobicContact CG-CG2 3.81Å; Y87-Q112 PolarHBondContact OH-O 3.47Å; Y87-I114 HydrophobicContact CE1-CD1 4.5Å; Y87-A187 CarbonylContact O-C 3.51Å; Y87-A187 WeakPolarHBondContact O-CA 3.29Å; Y87-F188 VanDerWaalsContact CB-CZ 3.49Å; Y87-F188 HydrophobicContact CD2-CE2 4.3Å; Y87-F188 HydrophobicContact CD2-CZ 4.47Å; Y87-F188 HydrophobicContact CG-CE2 4.28Å; Y87-F188 HydrophobicContact CG-CZ 4.02Å; Y87-F188 PolarHBondContact N-O 2.75Å; Y87-F188 PolarHBondContact O-N 3.47Å; Y87-P190 HydrophobicContact CD2-CG 3.68Å; Y87-P190 HydrophobicContact CE2-CG 3.82Å
88K96Very high92.7Very high32 Ų3256.2 Ų56.214%0.13929%0.285CS..EExtended strand (participates in β ladder)trans-109.3138.9172.5-60.7-178.1-179.8-175.20108.8P86 M106 N107 F178 N185 T186 A187P86-K88 HydrophobicContact CB-CG 4.49Å; P86-K88 HydrophobicContact CG-CG 4.43Å; K88-M106 VanDerWaalsContact O-CA 3.25Å; K88-M106 WeakPolarHBondContact O-CA 3.25Å; K88-N107 PolarHBondContact N-OD1 3.46Å; K88-N107 PolarHBondContact O-N 3.27Å; K88-N107 PolarHBondContact O-OD1 3Å; K88-F178 HydrophobicContact CB-CD1 4.08Å; K88-F178 HydrophobicContact CB-CE1 3.36Å; K88-F178 HydrophobicContact CB-CE2 4.47Å; K88-F178 HydrophobicContact CB-CZ 3.6Å; K88-F178 HydrophobicContact CD-CE1 4.19Å; K88-F178 HydrophobicContact CG-CE1 4.4Å; K88-N185 HydrophobicContact CB-CB 4.29Å; K88-T186 CarbonylContact C-O 3.52Å; K88-T186 WeakPolarHBondContact CA-O 3.49Å; K88-A187 HydrophobicContact CG-CB 4.38Å
89M96.2Very high92.4Very high3 Ų360.8 Ų60.82%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-138.4152.6178.767-176.5-70.100112.1I65 E66 I104 T105 M106 Y165 N185 T186 F188I65-M89 HydrophobicContact CB-SD 4.29Å; I65-M89 HydrophobicContact CD1-CE 4.5Å; I65-M89 HydrophobicContact CD1-SD 3.82Å; I65-M89 HydrophobicContact CG1-SD 3.88Å; E66-M89 HydrophobicContact CB-CE 4.03Å; M89-I104 HydrophobicContact CB-CG2 4.05Å; M89-I104 HydrophobicContact CE-CD1 3.91Å; M89-I104 HydrophobicContact CE-CG1 4.47Å; M89-I104 HydrophobicContact CE-CG2 3.66Å; M89-T105 VanDerWaalsContact CA-O 3.23Å; M89-T105 WeakPolarHBondContact CA-O 3.43Å; M89-M106 HydrophobicContact CB-CG 3.82Å; M89-Y165 HydrophobicContact CE-CD1 3.97Å; M89-Y165 HydrophobicContact CE-CE1 4.18Å; M89-N185 WeakPolarHBondContact O-CA 3.27Å; M89-T186 WeakPolarHBondContact CG-OG1 3.32Å; M89-T186 PolarHBondContact N-O 2.91Å; M89-T186 PolarHBondContact O-N 3.29Å; M89-F188 HydrophobicContact SD-CD1 4.29Å; M89-F188 HydrophobicContact SD-CE1 3.94Å
90N95.8Very high92.4Very high50 Ų5061.4 Ų61.427%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-159.2152.8170.3-172.638.9000110.8T105 F178 N182 V184N90-T105 PolarHBondContact N-O 3.42Å; N90-T105 PolarHBondContact O-N 2.87Å; N90-T105 PolarHBondContact O-OG1 3.26Å; N90-F178 HydrophobicContact CB-CZ 4.46Å; N90-N182 HydrophobicContact CB-CB 4.09Å; N90-N182 WeakPolarHBondContact CB-OD1 3.43Å; N90-N182 PolarHBondContact ND2-OD1 2.87Å; N90-V184 PolarHBondContact ND2-O 2.65Å
91I95.3Very high92.4Very high97 Ų9755.9 Ų55.950%0.49729%0.285SS..EExtended strand (participates in β ladder)trans-81134.5177.5-61168.2000109.5D102 V103 I104I91-D102 HydrophobicContact CG2-CB 4.34Å; I91-V103 WeakPolarHBondContact CA-O 3.17Å; I91-I104 HydrophobicContact CG1-CG1 4.16Å
92Q95.3Very high92.4Very high34 Ų3459.2 Ų59.216%0.15930%0.302CS..EExtended strand (participates in β ladder)trans-136.9152.4173.7-70.9-67.3-16.900109.5V103 T105 F147 L181 N182Q92-V103 HydrophobicContact CB-CG2 4.5Å; Q92-V103 PolarHBondContact N-O 3.47Å; Q92-V103 WeakPolarHBondContact O-CG2 3.43Å; Q92-V103 PolarHBondContact O-N 3.3Å; Q92-T105 HydrophobicContact CB-CG2 3.93Å; Q92-T105 HydrophobicContact CG-CG2 3.86Å; Q92-F147 HydrophobicContact CB-CD1 3.7Å; Q92-F147 HydrophobicContact CB-CE1 4.03Å; Q92-F147 HydrophobicContact CG-CD1 4.47Å; Q92-L181 HydrophobicContact CG-CD2 4.04Å; Q92-L181 HydrophobicContact CG-CG 4.07Å; Q92-L181 PolarHBondContact NE2-O 3.03Å; Q92-N182 WeakPolarHBondContact CG-OD1 3.33Å; Q92-N182 PolarHBondContact NE2-OD1 3.09Å
93T95.9Very high92.6Very high29 Ų2958.1 Ų58.118%0.17830%0.297CS..EExtended strand (participates in β ladder)trans-97.9125.2174.7-49.90000109.4E100 D102 F147 K148T93-E100 HydrophobicContact CG2-CB 3.78Å; T93-D102 WeakPolarHBondContact CB-OD1 3.46Å; T93-D102 WeakPolarHBondContact CG2-OD1 3.38Å; T93-D102 PolarHBondContact OG1-OD1 3.25Å; T93-F147 CarbonylContact O-C 3.48Å; T93-F147 WeakPolarHBondContact O-CA 3.32Å; T93-K148 HydrophobicContact CG2-CB 4.17Å; T93-K148 HydrophobicContact CG2-CD 3.98Å; T93-K148 PolarHBondContact O-N 3.41Å
94L94.5Very high92.9Very high0 Ų051.5 Ų51.50%027%0.266CS..EExtended strand (participates in β ladder)trans-89.3134.8174.1-160.280.5000110.1L96 E100 Q101 V103 L134 L145 F147L94-L96 HydrophobicContact CD2-CD1 4.48Å; L94-L96 HydrophobicContact CD2-CD2 3.52Å; L94-L96 HydrophobicContact CD2-CG 3.92Å; L94-L96 HydrophobicContact CG-CD2 4.43Å; L94-E100 WeakPolarHBondContact O-CA 3.42Å; L94-Q101 PolarHBondContact N-O 3.3Å; L94-Q101 PolarHBondContact O-N 3.31Å; L94-V103 HydrophobicContact CB-CG1 4.23Å; L94-V103 HydrophobicContact CB-CG2 4.3Å; L94-L134 HydrophobicContact CD2-CD2 4.37Å; L94-L145 HydrophobicContact CD1-CB 4.08Å; L94-L145 HydrophobicContact CD1-CD1 4.34Å; L94-L145 HydrophobicContact CD2-CD1 4.22Å; L94-L145 HydrophobicContact CD2-CD2 4.5Å; L94-F147 HydrophobicContact CD1-CD1 3.88Å; L94-F147 HydrophobicContact CD1-CE1 3.71Å; L94-F147 HydrophobicContact CD1-CG 4.43Å; L94-F147 HydrophobicContact CD1-CZ 4.11Å
95K92.3Very high93.2Very high104 Ų10450.7 Ų50.745%0.45226%0.262SS..EExtended strand (participates in β ladder)trans-89.5106.5168.8-72.6-171.6172.6-175.40109.6E100 H146 K148K95-E100 VanDerWaalsContact CE-OE1 3.31Å; K95-E100 WeakPolarHBondContact CE-OE1 3.42Å; K95-E100 HydrophobicContact CG-CG 4.29Å; K95-H146 PolarHBondContact N-O 2.88Å; K95-K148 HydrophobicContact CG-CB 4.43Å
96L88.2Confident93.4Very high26 Ų2647.4 Ų47.414%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-95.7164.7171.9-63166.6000109.4L94 N98 K99 Q101 I139L94-L96 HydrophobicContact CD2-CD1 4.48Å; L94-L96 HydrophobicContact CD2-CD2 3.52Å; L94-L96 HydrophobicContact CD2-CG 3.92Å; L94-L96 HydrophobicContact CG-CD2 4.43Å; L96-N98 PolarHBondContact O-N 2.86Å; L96-N98 VanDerWaalsContact O-N 3.09Å; L96-K99 CarbonylContact C-O 3.51Å; L96-K99 WeakPolarHBondContact CA-O 3.32Å; L96-K99 HydrophobicContact CB-CG 4.15Å; L96-K99 WeakPolarHBondContact CB-O 3.21Å; L96-K99 HydrophobicContact CD1-CD 4.48Å; L96-K99 HydrophobicContact CD1-CG 4.13Å; L96-K99 PolarHBondContact N-O 3.31Å; L96-K99 PolarHBondContact O-N 2.76Å; L96-K99 VanDerWaalsContact O-O 3.07Å; L96-Q101 HydrophobicContact CD1-CB 4Å; L96-I139 HydrophobicContact CD2-CD1 3.39Å; L96-I139 HydrophobicContact CD2-CG1 4.43Å
97S82.5Confident93.5Very high126 Ų12647.2 Ų47.288%0.88125%0.246SC*.THydrogen-bonded Turntrans-52.7-38.1-173.2-55.90000114.1
98N81.8Confident93.5Very high163 Ų16347.8 Ų47.887%0.87225%0.249SC*.THydrogen-bonded Turntrans-122.52.3-173.2-67.6-1.4000114.1L96L96-N98 PolarHBondContact O-N 2.86Å; L96-N98 VanDerWaalsContact O-N 3.09Å
99K90.5Very high93.3Very high95 Ų9546.3 Ų46.341%0.41324%0.243SC..EExtended strand (participates in β ladder)trans-160.1160.6-177.463.4-178.3179.51800111.6L96 D137L96-K99 CarbonylContact C-O 3.51Å; L96-K99 WeakPolarHBondContact CA-O 3.32Å; L96-K99 HydrophobicContact CB-CG 4.15Å; L96-K99 WeakPolarHBondContact CB-O 3.21Å; L96-K99 HydrophobicContact CD1-CD 4.48Å; L96-K99 HydrophobicContact CD1-CG 4.13Å; L96-K99 PolarHBondContact N-O 3.31Å; L96-K99 PolarHBondContact O-N 2.76Å; L96-K99 VanDerWaalsContact O-O 3.07Å; K99-D137 WeakPolarHBondContact CE-OD2 3.36Å; K99-D137 IonicContact NZ-OD1 3.08Å; K99-D137 IonicContact NZ-OD2 2.76Å; K99-D137 PolarHBondContact NZ-OD2 3.1Å
100E92.8Very high93Very high92 Ų9254 Ų5443%0.4328%0.276SS..EExtended strand (participates in β ladder)trans-99140.8161.8-65.1-171.9157.900108.3T93 L94 K95 K148T93-E100 HydrophobicContact CG2-CB 3.78Å; L94-E100 WeakPolarHBondContact O-CA 3.42Å; K95-E100 VanDerWaalsContact CE-OE1 3.31Å; K95-E100 WeakPolarHBondContact CE-OE1 3.42Å; K95-E100 HydrophobicContact CG-CG 4.29Å; E100-K148 IonicContact OE1-NZ 2.74Å; E100-K148 WeakPolarHBondContact OE2-CD 3.15Å; E100-K148 VanDerWaalsContact OE2-CE 3.26Å; E100-K148 WeakPolarHBondContact OE2-CE 3.45Å; E100-K148 IonicContact OE2-NZ 3.01Å; E100-K148 PolarHBondContact OE2-NZ 2.89Å
101Q93.6Very high92.4Very high45 Ų4556.8 Ų56.821%0.2129%0.287CS..EExtended strand (participates in β ladder)trans-138.8130.3-179.5179171.1-24.300110.1L94 L96L94-Q101 PolarHBondContact N-O 3.3Å; L94-Q101 PolarHBondContact O-N 3.31Å; L96-Q101 HydrophobicContact CD1-CB 4Å
102D95.1Very high91.9Very high89 Ų8953.9 Ų53.948%0.47627%0.272SS..EExtended strand (participates in β ladder)trans-73.3135.7173.6-67.3-26.3000110.6I91 T93I91-D102 HydrophobicContact CG2-CB 4.34Å; T93-D102 WeakPolarHBondContact CB-OD1 3.46Å; T93-D102 WeakPolarHBondContact CG2-OD1 3.38Å; T93-D102 PolarHBondContact OG1-OD1 3.25Å
103V96.3Very high91.6Very high0 Ų056.8 Ų56.80%028%0.281CS..EExtended strand (participates in β ladder)trans-135153.9-179.4-60.50000108.9I91 Q92 L94 L134 F147 V171I91-V103 WeakPolarHBondContact CA-O 3.17Å; Q92-V103 HydrophobicContact CB-CG2 4.5Å; Q92-V103 PolarHBondContact N-O 3.47Å; Q92-V103 WeakPolarHBondContact O-CG2 3.43Å; Q92-V103 PolarHBondContact O-N 3.3Å; L94-V103 HydrophobicContact CB-CG1 4.23Å; L94-V103 HydrophobicContact CB-CG2 4.3Å; V103-L134 HydrophobicContact CG1-CD1 3.97Å; V103-L134 HydrophobicContact CG1-CD2 4.14Å; V103-F147 HydrophobicContact CG2-CE1 3.94Å; V103-V171 HydrophobicContact CB-CG2 3.99Å; V103-V171 HydrophobicContact CG1-CG2 4.35Å; V103-V171 HydrophobicContact CG2-CG2 3.92Å
104I96.6Very high91.4Very high6 Ų655.4 Ų55.43%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-97.4119.2172.2-70.9170.4000107.5M89 I91 M106 Y165 S169 I170 V171M89-I104 HydrophobicContact CB-CG2 4.05Å; M89-I104 HydrophobicContact CE-CD1 3.91Å; M89-I104 HydrophobicContact CE-CG1 4.47Å; M89-I104 HydrophobicContact CE-CG2 3.66Å; I91-I104 HydrophobicContact CG1-CG1 4.16Å; I104-M106 HydrophobicContact CG2-CG 4.02Å; I104-Y165 HydrophobicContact CD1-CD1 3.59Å; I104-Y165 HydrophobicContact CD1-CG 4.24Å; I104-S169 PolarHBondContact N-O 2.93Å; I104-I170 HydrophobicContact CB-CD1 3.62Å; I104-I170 HydrophobicContact CD1-CD1 4.42Å; I104-I170 HydrophobicContact CG2-CD1 3.56Å; I104-I170 CarbonylContact O-C 3.59Å; I104-I170 WeakPolarHBondContact O-CA 3.26Å; I104-V171 PolarHBondContact O-N 3.45Å
105T96.9Very high91.3Very high0 Ų061.4 Ų61.40%030%0.3CS..EExtended strand (participates in β ladder)trans-85.5140.1171.456.20000109.7M89 N90 Q92 F147 V171 L173 F178 L181 N182M89-T105 VanDerWaalsContact CA-O 3.23Å; M89-T105 WeakPolarHBondContact CA-O 3.43Å; N90-T105 PolarHBondContact N-O 3.42Å; N90-T105 PolarHBondContact O-N 2.87Å; N90-T105 PolarHBondContact O-OG1 3.26Å; Q92-T105 HydrophobicContact CB-CG2 3.93Å; Q92-T105 HydrophobicContact CG-CG2 3.86Å; T105-F147 HydrophobicContact CG2-CE1 3.69Å; T105-F147 HydrophobicContact CG2-CZ 3.89Å; T105-V171 CarbonylContact C-O 3.58Å; T105-V171 VanDerWaalsContact CA-O 3.25Å; T105-V171 WeakPolarHBondContact CA-O 3.47Å; T105-V171 HydrophobicContact CG2-CB 4.36Å; T105-L173 HydrophobicContact CG2-CD1 3.85Å; T105-F178 WeakPolarHBondContact O-CE2 3.22Å; T105-L181 HydrophobicContact CG2-CD2 3.88Å; T105-N182 PolarHBondContact OG1-ND2 2.94Å; T105-N182 PolarHBondContact OG1-OD1 3.48Å
106M96.7Very high91.3Very high0 Ų058.5 Ų58.50%029%0.29CS..EExtended strand (participates in β ladder)trans-136.8152.1177.9-68.8-176.764.600111.3L46 Y87 K88 M89 I104 I170 V171 L172 L173 F188L46-M106 HydrophobicContact CD1-CE 4.03Å; L46-M106 HydrophobicContact CD1-SD 3.85Å; L46-M106 HydrophobicContact CD2-CE 4.26Å; L46-M106 HydrophobicContact CD2-SD 3.97Å; Y87-M106 HydrophobicContact CD1-CE 3.43Å; Y87-M106 VanDerWaalsContact CD1-CE 3.43Å; Y87-M106 HydrophobicContact CE1-CE 4.1Å; Y87-M106 HydrophobicContact CG-CE 3.97Å; K88-M106 VanDerWaalsContact O-CA 3.25Å; K88-M106 WeakPolarHBondContact O-CA 3.25Å; M89-M106 HydrophobicContact CB-CG 3.82Å; I104-M106 HydrophobicContact CG2-CG 4.02Å; M106-I170 HydrophobicContact CB-CG2 4.31Å; M106-I170 HydrophobicContact CG-CG2 4.14Å; M106-I170 HydrophobicContact SD-CD1 3.87Å; M106-I170 HydrophobicContact SD-CG1 4.29Å; M106-I170 HydrophobicContact SD-CG2 3.83Å; M106-V171 PolarHBondContact N-O 2.7Å; M106-L172 HydrophobicContact CB-CD1 4.13Å; M106-L172 CarbonylContact O-C 3.5Å; M106-L172 WeakPolarHBondContact O-CA 3.38Å; M106-L173 PolarHBondContact O-N 3.22Å; M106-F188 HydrophobicContact CE-CE1 4.01Å; M106-F188 HydrophobicContact CE-CZ 3.76Å
107N96.1Very high91.5Very high1 Ų162.5 Ų62.51%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-82.7151.816970.3-36.4000112.3P86 Y87 K88 L172 L173 D175 F178P86-N107 PolarHBondContact O-ND2 2.88Å; P86-N107 VanDerWaalsContact O-ND2 3.09Å; Y87-N107 WeakPolarHBondContact CA-OD1 3.3Å; Y87-N107 WeakPolarHBondContact CD1-O 3.5Å; Y87-N107 WeakPolarHBondContact CE1-O 3.4Å; K88-N107 PolarHBondContact N-OD1 3.46Å; K88-N107 PolarHBondContact O-N 3.27Å; K88-N107 PolarHBondContact O-OD1 3Å; N107-L172 VanDerWaalsContact O-CD1 3.31Å; N107-L172 WeakPolarHBondContact O-CD1 3.38Å; N107-L173 CarbonylContact C-O 3.52Å; N107-L173 VanDerWaalsContact CA-O 3.3Å; N107-L173 WeakPolarHBondContact CA-O 3.48Å; N107-D175 WeakPolarHBondContact CB-OD1 3.38Å; N107-D175 PolarHBondContact ND2-OD1 2.96Å; N107-F178 HydrophobicContact CB-CB 4.11Å; N107-F178 HydrophobicContact CB-CD2 4.5Å; N107-F178 HydrophobicContact CB-CG 4.11Å
108D94.6Very high92.1Very high11 Ų1163.3 Ų63.36%0.05929%0.294CS..  trans-79.6116.1171.7179.239000111.3R113 L172 L173D108-R113 IonicContact OD1-NE 3.29Å; D108-R113 PolarHBondContact OD1-NE 3.34Å; D108-R113 IonicContact OD2-CZ 2.85Å; D108-R113 VanDerWaalsContact OD2-CZ 3.24Å; D108-R113 IonicContact OD2-NE 2.8Å; D108-R113 PolarHBondContact OD2-NE 2.64Å; D108-R113 IonicContact OD2-NH2 3.77Å; D108-R113 PolarHBondContact OD2-NH2 3.39Å; D108-L172 HydrophobicContact CB-CD1 4.38Å; D108-L172 HydrophobicContact CB-CD2 3.98Å; D108-L172 HydrophobicContact CB-CG 4.08Å; D108-L173 PolarHBondContact N-O 3.38Å
109V92.9Very high92.7Very high2 Ų257.5 Ų57.51%0.01227%0.272CS..  trans-98.7107.7173.7-1800000109.3E85 P86 Y87 Q111 Q112 R113E85-V109 HydrophobicContact CB-CG1 4.26Å; P86-V109 WeakPolarHBondContact O-CG2 3.43Å; Y87-V109 HydrophobicContact CD1-CB 4.45Å; Y87-V109 HydrophobicContact CD1-CG2 3.69Å; Y87-V109 HydrophobicContact CD2-CB 4.32Å; Y87-V109 HydrophobicContact CD2-CG2 3.85Å; Y87-V109 HydrophobicContact CE1-CB 3.94Å; Y87-V109 HydrophobicContact CE1-CG2 3.66Å; Y87-V109 HydrophobicContact CE2-CB 3.77Å; Y87-V109 HydrophobicContact CE2-CG1 4.38Å; Y87-V109 HydrophobicContact CE2-CG2 3.81Å; Y87-V109 HydrophobicContact CG-CG2 3.81Å; V109-Q111 HydrophobicContact CG1-CB 4.39Å; V109-Q111 VanDerWaalsContact CG1-OE1 3.26Å; V109-Q111 PolarHBondContact O-N 3.36Å; V109-Q111 VanDerWaalsContact O-N 3.16Å; V109-Q112 CarbonylContact O-C 3.51Å; V109-Q112 PolarHBondContact O-N 2.86Å; V109-R113 PolarHBondContact O-N 3.4Å
110K88.4Confident93Very high165 Ų16557.7 Ų57.772%0.71728%0.278SS*.G310 helixtrans-58.3-31.4-174.2-67.6-178.5-177.3173.90113.9Q112K110-Q112 PolarHBondContact O-N 3.49Å
111Q83.8Confident93.1Very high108 Ų10855.6 Ų55.651%0.50527%0.266SS..G310 helixtrans-67.4-25.6179.8-63.489.2-22.200112.6V109V109-Q111 HydrophobicContact CG1-CB 4.39Å; V109-Q111 VanDerWaalsContact CG1-OE1 3.26Å; V109-Q111 PolarHBondContact O-N 3.36Å; V109-Q111 VanDerWaalsContact O-N 3.16Å
112Q85.3Confident93.3Very high36 Ų3653.7 Ų53.717%0.16826%0.258CS..G310 helixtrans-146.359.1-173-162.7173.9-7.400112.5F50 N52 Y87 V109 K110 I114 P190F50-Q112 HydrophobicContact CD1-CG 4.19Å; N52-Q112 VanDerWaalsContact CG-NE2 3.28Å; N52-Q112 VanDerWaalsContact ND2-CD 3.3Å; N52-Q112 PolarHBondContact ND2-NE2 2.88Å; N52-Q112 PolarHBondContact ND2-OE1 2.95Å; N52-Q112 PolarHBondContact OD1-NE2 2.85Å; Y87-Q112 PolarHBondContact OH-O 3.47Å; V109-Q112 CarbonylContact O-C 3.51Å; V109-Q112 PolarHBondContact O-N 2.86Å; K110-Q112 PolarHBondContact O-N 3.49Å; Q112-I114 PolarHBondContact O-N 3.31Å; Q112-P190 PolarHBondContact OE1-O 2.85Å
113R88.7Confident93.2Very high95 Ų9556.6 Ų56.636%0.35827%0.266SS..PPolyproline II helixtrans-64.1137-171.5-67.9-171.3149.6172.7-2.5114.1D108 V109 Y121D108-R113 IonicContact OD1-NE 3.29Å; D108-R113 PolarHBondContact OD1-NE 3.34Å; D108-R113 IonicContact OD2-CZ 2.85Å; D108-R113 VanDerWaalsContact OD2-CZ 3.24Å; D108-R113 IonicContact OD2-NE 2.8Å; D108-R113 PolarHBondContact OD2-NE 2.64Å; D108-R113 IonicContact OD2-NH2 3.77Å; D108-R113 PolarHBondContact OD2-NH2 3.39Å; V109-R113 PolarHBondContact O-N 3.4Å; R113-Y121 HydrophobicContact CB-CE1 3.9Å; R113-Y121 HydrophobicContact CG-CE1 4.31Å; R113-Y121 VanDerWaalsContact NH1-CD2 3.32Å
114I92.3Very high93.1Very high0 Ų061.1 Ų61.10%029%0.29CS..PPolyproline II helixtrans-64.1135.9167.8-57.6178.6000108.6L46 H49 F50 Y87 Q112 L116 Y121 L160 T163 L172L46-I114 HydrophobicContact CD1-CD1 4.04Å; H49-I114 HydrophobicContact CB-CG2 4.25Å; H49-I114 VanDerWaalsContact CD2-CG2 3.46Å; H49-I114 WeakPolarHBondContact CD2-CG2 3.42Å; F50-I114 HydrophobicContact CE1-CG1 4.16Å; F50-I114 HydrophobicContact CZ-CD1 4.41Å; F50-I114 HydrophobicContact CZ-CG1 4.35Å; Y87-I114 HydrophobicContact CE1-CD1 4.5Å; Q112-I114 PolarHBondContact O-N 3.31Å; I114-L116 PolarHBondContact O-N 2.86Å; I114-Y121 WeakPolarHBondContact O-CE1 3.3Å; I114-Y121 PolarHBondContact O-OH 3.3Å; I114-L160 HydrophobicContact CB-CD2 4.33Å; I114-L160 HydrophobicContact CG2-CD2 3.98Å; I114-T163 HydrophobicContact CD1-CG2 4.23Å; I114-T163 HydrophobicContact CG2-CG2 3.9Å; I114-L172 HydrophobicContact CD1-CD1 4.33Å
115Q91.5Very high93Very high125 Ų12562.2 Ų62.258%0.58430%0.3SS*.PPolyproline II helixtrans-68.6132.5-174.4-62.9-178.633.900112.1N161Q115-N161 PolarHBondContact O-N 3.47Å
116L93.1Very high92.9Very high43 Ų4367.1 Ų67.123%0.22532%0.323CS..EExtended strand (participates in β ladder)trans-88137.7172-72.7168.3000110.7I114 Y121 A129 L160I114-L116 PolarHBondContact O-N 2.86Å; L116-Y121 HydrophobicContact CD1-CD1 3.87Å; L116-Y121 HydrophobicContact CD1-CD2 3.5Å; L116-Y121 VanDerWaalsContact CD1-CD2 3.5Å; L116-Y121 HydrophobicContact CD1-CE1 3.79Å; L116-Y121 HydrophobicContact CD1-CE2 3.42Å; L116-Y121 VanDerWaalsContact CD1-CE2 3.42Å; L116-Y121 HydrophobicContact CD1-CG 3.72Å; L116-Y121 HydrophobicContact CD2-CE1 4.49Å; L116-Y121 HydrophobicContact CG-CD1 4.21Å; L116-Y121 HydrophobicContact CG-CD2 4.49Å; L116-Y121 HydrophobicContact CG-CE1 3.76Å; L116-Y121 HydrophobicContact CG-CE2 4.09Å; L116-A129 HydrophobicContact CD2-CB 4.12Å; L116-L160 HydrophobicContact CD2-CD2 3.76Å; L116-L160 HydrophobicContact CD2-CG 4.48Å
117K92.9Very high92.9Very high110 Ų11068.6 Ų68.648%0.47833%0.33SS..EExtended strand (participates in β ladder)trans-81.5-36.1166.7-168.4172.9-168.5157.60111.4D132 I159 N161K117-D132 HydrophobicContact CD-CB 4.22Å; K117-D132 IonicContact NZ-OD2 2.83Å; K117-D132 PolarHBondContact NZ-OD2 2.81Å; K117-I159 HydrophobicContact CB-CG2 4.46Å; K117-I159 WeakPolarHBondContact CB-O 3.22Å; K117-I159 PolarHBondContact N-O 2.93Å; K117-N161 HydrophobicContact CB-CB 4.32Å
118K94.3Very high93Very high143 Ų14368.6 Ų68.662%0.62233%0.33SS*.EExtended strand (participates in β ladder)trans-158.1151.6-178.3-169.9171.9-179.5177.50112G158 I159K118-G158 CarbonylContact O-C 3.5Å; K118-G158 VanDerWaalsContact O-CA 3.25Å; K118-G158 WeakPolarHBondContact O-CA 3.44Å; K118-I159 HydrophobicContact CB-CB 4.44Å; K118-I159 PolarHBondContact N-O 3.38Å; K118-I159 PolarHBondContact O-N 3.34Å
119G95Very high93.1Very high41 Ų4168 Ų6842%0.42333%0.327SS..EExtended strand (participates in β ladder)trans80.7-153.9173.500000113.2
120D96.1Very high93.3Very high99 Ų9968 Ų6853%0.52933%0.327SS..  trans-122.6152.9-172.8-70.7-60.9000112.4S157 G158D120-S157 PolarHBondContact N-O 3.24Å; D120-S157 CarbonylContact O-C 3.43Å; D120-S157 VanDerWaalsContact O-C 3.28Å; D120-S157 WeakPolarHBondContact O-CB 3.25Å; D120-S157 PolarHBondContact O-OG 3.08Å; D120-G158 PolarHBondContact O-N 3.28Å
121Y96.1Very high93.7Very high48 Ų4860.1 Ų60.119%0.18829%0.292CS..  trans-61.7144.9168.8-66.3-79.6000110.7R113 I114 L116 K123 L172R113-Y121 HydrophobicContact CB-CE1 3.9Å; R113-Y121 HydrophobicContact CG-CE1 4.31Å; R113-Y121 VanDerWaalsContact NH1-CD2 3.32Å; I114-Y121 WeakPolarHBondContact O-CE1 3.3Å; I114-Y121 PolarHBondContact O-OH 3.3Å; L116-Y121 HydrophobicContact CD1-CD1 3.87Å; L116-Y121 HydrophobicContact CD1-CD2 3.5Å; L116-Y121 VanDerWaalsContact CD1-CD2 3.5Å; L116-Y121 HydrophobicContact CD1-CE1 3.79Å; L116-Y121 HydrophobicContact CD1-CE2 3.42Å; L116-Y121 VanDerWaalsContact CD1-CE2 3.42Å; L116-Y121 HydrophobicContact CD1-CG 3.72Å; L116-Y121 HydrophobicContact CD2-CE1 4.49Å; L116-Y121 HydrophobicContact CG-CD1 4.21Å; L116-Y121 HydrophobicContact CG-CD2 4.49Å; L116-Y121 HydrophobicContact CG-CE1 3.76Å; L116-Y121 HydrophobicContact CG-CE2 4.09Å; Y121-K123 PolarHBondContact O-N 2.86Å; Y121-L172 HydrophobicContact CD1-CD2 4.03Å; Y121-L172 HydrophobicContact CE1-CD2 4.42Å
122P95.9Very high94.2Very high5 Ų555.3 Ų55.33%0.03227%0.27CS..  trans-62.5119.4179.327-35.1000110.4E127 L172P122-E127 HydrophobicContact CB-CB 3.86Å; P122-E127 VanDerWaalsContact CB-O 3.31Å; P122-E127 WeakPolarHBondContact CB-O 3.45Å; P122-L172 HydrophobicContact CG-CG 4.5Å
123K93.8Very high94.5Very high150 Ų15055.8 Ų55.865%0.65227%0.272SS*.  trans-97-36.8178.9-65.1174.5-172.5167.60110.6Y121 E127 N174Y121-K123 PolarHBondContact O-N 2.86Å; K123-E127 PolarHBondContact N-OE2 2.96Å; K123-N174 PolarHBondContact O-ND2 2.83Å
124N94.5Very high94.7Very high95 Ų9551.3 Ų51.351%0.50826%0.255SS..SBendtrans-101.3158.6-176.9-59.9-55.8000112.3H126 E127 N174N124-H126 PolarHBondContact O-N 2.94Å; N124-H126 VanDerWaalsContact O-N 3.14Å; N124-E127 HydrophobicContact CB-CG 4.09Å; N124-E127 PolarHBondContact N-OE2 3.19Å; N124-E127 PolarHBondContact ND2-OE1 3.34Å; N124-E127 PolarHBondContact O-N 2.95Å; N124-E127 VanDerWaalsContact O-N 3.14Å; N124-N174 PolarHBondContact O-ND2 3.03Å
125A94.2Very high94.8Very high29 Ų2952.2 Ų52.224%0.2426%0.262CS..THydrogen-bonded Turntrans-61.9-21.6-178.500000114.3Y154 N174 N176 G177A125-Y154 WeakPolarHBondContact O-CE1 3.21Å; A125-N174 WeakPolarHBondContact CA-OD1 3.28Å; A125-N174 PolarHBondContact N-ND2 3.04Å; A125-N176 HydrophobicContact CB-CB 4.09Å; A125-G177 WeakPolarHBondContact O-CA 3.37Å
126H95.5Very high94.7Very high103 Ų10348.1 Ų48.148%0.47725%0.25SS..THydrogen-bonded Turntrans-109.626.4-179.9-50.2134.3000112.2N124 T152 Y154 R155N124-H126 PolarHBondContact O-N 2.94Å; N124-H126 VanDerWaalsContact O-N 3.14Å; H126-T152 WeakPolarHBondContact CD2-CG2 3.25Å; H126-Y154 CarbonylContact O-C 3.53Å; H126-Y154 WeakPolarHBondContact O-CA 3.45Å; H126-R155 PolarHBondContact O-N 2.94Å
127E96.8Very high94.4Very high31 Ų3148.9 Ų48.915%0.14526%0.255CS..EExtended strand (participates in β ladder)trans-113.3143.6172.6-73.9171.5178.800110.1P122 K123 N124 R155P122-E127 HydrophobicContact CB-CB 3.86Å; P122-E127 VanDerWaalsContact CB-O 3.31Å; P122-E127 WeakPolarHBondContact CB-O 3.45Å; K123-E127 PolarHBondContact N-OE2 2.96Å; N124-E127 HydrophobicContact CB-CG 4.09Å; N124-E127 PolarHBondContact N-OE2 3.19Å; N124-E127 PolarHBondContact ND2-OE1 3.34Å; N124-E127 PolarHBondContact O-N 2.95Å; N124-E127 VanDerWaalsContact O-N 3.14Å; E127-R155 CarbonylContact C-O 3.28Å; E127-R155 VanDerWaalsContact CA-O 3.3Å; E127-R155 WeakPolarHBondContact CA-O 2.91Å
128V97.4Very high94.2Very high1 Ų150.5 Ų50.51%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-134.8142.8179-63.30000110.9I130 L145 F147 Y154 R155 V156 S157 V171 L172 L173V128-I130 HydrophobicContact CG2-CG2 4.29Å; V128-L145 HydrophobicContact CG2-CD1 4.22Å; V128-F147 HydrophobicContact CG1-CE2 4.49Å; V128-Y154 HydrophobicContact CG1-CD1 3.74Å; V128-Y154 HydrophobicContact CG1-CG 4.05Å; V128-R155 PolarHBondContact N-O 3.45Å; V128-V156 HydrophobicContact CG2-CG2 4.22Å; V128-V156 CarbonylContact O-C 3.53Å; V128-V156 WeakPolarHBondContact O-CA 3.28Å; V128-S157 PolarHBondContact O-N 3.43Å; V128-S157 PolarHBondContact O-OG 2.96Å; V128-V171 HydrophobicContact CB-CG1 3.73Å; V128-V171 HydrophobicContact CG1-CG1 3.93Å; V128-V171 HydrophobicContact CG2-CG1 4.45Å; V128-L172 CarbonylContact C-O 3.51Å; V128-L172 WeakPolarHBondContact CA-O 3.25Å; V128-L173 HydrophobicContact CG1-CD2 3.84Å; V128-L173 HydrophobicContact CG1-CG 3.97Å
129A97.7Very high94.1Very high0 Ų044.4 Ų44.40%024%0.242CC..EExtended strand (participates in β ladder)trans-106129.2161.900000109.3L116 G158 L160 V171 L172L116-A129 HydrophobicContact CD2-CB 4.12Å; A129-G158 VanDerWaalsContact CA-O 3.26Å; A129-G158 WeakPolarHBondContact CA-O 3.27Å; A129-L160 HydrophobicContact CB-CD2 4.19Å; A129-L160 HydrophobicContact CB-CG 4.18Å; A129-V171 CarbonylContact O-C 3.57Å; A129-V171 WeakPolarHBondContact O-CA 3.35Å; A129-L172 HydrophobicContact CB-CB 4.23Å; A129-L172 PolarHBondContact N-O 3.45Å; A129-L172 PolarHBondContact O-N 2.9Å
130I97.2Very high94.1Very high0 Ų051.2 Ų51.20%026%0.255CS..EExtended strand (participates in β ladder)trans-108.2154.6-176.362.5177.1000110.1V128 L134 A135 I139 L145 V156 G158 I159 L160 V171V128-I130 HydrophobicContact CG2-CG2 4.29Å; I130-L134 HydrophobicContact CB-CB 4.15Å; I130-L134 HydrophobicContact CB-CD1 4.09Å; I130-L134 HydrophobicContact CD1-CB 4.1Å; I130-L134 HydrophobicContact CG1-CB 4.45Å; I130-L134 HydrophobicContact CG2-CD1 4.35Å; I130-A135 HydrophobicContact CD1-CB 4.12Å; I130-I139 HydrophobicContact CD1-CB 3.99Å; I130-I139 HydrophobicContact CD1-CD1 4.41Å; I130-I139 HydrophobicContact CD1-CG2 3.61Å; I130-L145 HydrophobicContact CG2-CD1 3.82Å; I130-V156 HydrophobicContact CD1-CG1 4.11Å; I130-V156 HydrophobicContact CD1-CG2 4.42Å; I130-V156 HydrophobicContact CG1-CG1 4.09Å; I130-G158 PolarHBondContact N-O 3.21Å; I130-G158 VanDerWaalsContact N-O 3.13Å; I130-I159 CarbonylContact O-C 3.52Å; I130-I159 WeakPolarHBondContact O-CA 3.33Å; I130-L160 PolarHBondContact O-N 2.84Å; I130-V171 HydrophobicContact CG2-CG1 4.25Å; I130-V171 HydrophobicContact CG2-CG2 4.2Å
131N95.8Very high94Very high0 Ų049.1 Ų49.10%025%0.246CC..EExtended strand (participates in β ladder)trans-68.7161.916980.1-15.8000112.4K133 L134 A135 T163 M164 S169 I170N131-K133 VanDerWaalsContact C-N 3.3Å; N131-K133 PolarHBondContact O-N 3.31Å; N131-L134 PolarHBondContact O-N 3.47Å; N131-L134 WeakPolarHBondContact OD1-CB 3.3Å; N131-L134 WeakPolarHBondContact OD1-CG 3.4Å; N131-L134 PolarHBondContact OD1-N 3.22Å; N131-A135 PolarHBondContact O-N 3.27Å; N131-A135 VanDerWaalsContact O-N 3.09Å; N131-T163 WeakPolarHBondContact CB-O 3.38Å; N131-T163 PolarHBondContact ND2-O 3.1Å; N131-M164 WeakPolarHBondContact ND2-CG 3.37Å; N131-S169 WeakPolarHBondContact ND2-CB 3.44Å; N131-S169 PolarHBondContact ND2-OG 3.01Å; N131-S169 WeakPolarHBondContact OD1-CB 3.43Å; N131-S169 PolarHBondContact OD1-OG 3.25Å; N131-I170 PolarHBondContact N-O 2.92Å
132D93.4Very high94Very high8 Ų848.3 Ų48.34%0.04325%0.252CS..Hα-helixtrans-65.5-28.4-179.854.9-5.3000114.3K117 L134 A135 A136 I159 L160 D162K117-D132 HydrophobicContact CD-CB 4.22Å; K117-D132 IonicContact NZ-OD2 2.83Å; K117-D132 PolarHBondContact NZ-OD2 2.81Å; D132-L134 VanDerWaalsContact C-N 3.33Å; D132-L134 PolarHBondContact O-N 3.49Å; D132-A135 WeakPolarHBondContact O-CB 3.47Å; D132-A135 PolarHBondContact O-N 2.96Å; D132-A135 VanDerWaalsContact O-N 3.16Å; D132-A136 PolarHBondContact O-N 2.98Å; D132-I159 HydrophobicContact CB-CG2 3.94Å; D132-L160 PolarHBondContact N-O 3.47Å; D132-L160 VanDerWaalsContact N-O 3.16Å; D132-D162 WeakPolarHBondContact OD1-CA 3.22Å; D132-D162 PolarHBondContact OD1-N 3.36Å; D132-D162 VanDerWaalsContact OD1-N 3.1Å
133K92.6Very high93.9Very high46 Ų4651.4 Ų51.420%0.227%0.268CS..Hα-helixtrans-59.8-40.8170.6-168.2170.4-176173.30112.4E42 N131 A136 M164E42-K133 IonicContact OE1-NZ 3.91Å; E42-K133 PolarHBondContact OE1-NZ 3.27Å; E42-K133 IonicContact OE2-NZ 3.8Å; E42-K133 PolarHBondContact OE2-NZ 3.5Å; N131-K133 VanDerWaalsContact C-N 3.3Å; N131-K133 PolarHBondContact O-N 3.31Å; K133-A136 WeakPolarHBondContact O-CB 3.49Å; K133-A136 PolarHBondContact O-N 3.48Å; K133-M164 HydrophobicContact CD-CE 3.75Å; K133-M164 HydrophobicContact CD-SD 3.62Å
134L93.4Very high94Very high0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-69.6-38.8171.9-75.9169.3000111.8L94 V103 I130 N131 D132 A136 D137 I139 S169 V171L94-L134 HydrophobicContact CD2-CD2 4.37Å; V103-L134 HydrophobicContact CG1-CD1 3.97Å; V103-L134 HydrophobicContact CG1-CD2 4.14Å; I130-L134 HydrophobicContact CB-CB 4.15Å; I130-L134 HydrophobicContact CB-CD1 4.09Å; I130-L134 HydrophobicContact CD1-CB 4.1Å; I130-L134 HydrophobicContact CG1-CB 4.45Å; I130-L134 HydrophobicContact CG2-CD1 4.35Å; N131-L134 PolarHBondContact O-N 3.47Å; N131-L134 WeakPolarHBondContact OD1-CB 3.3Å; N131-L134 WeakPolarHBondContact OD1-CG 3.4Å; N131-L134 PolarHBondContact OD1-N 3.22Å; D132-L134 VanDerWaalsContact C-N 3.33Å; D132-L134 PolarHBondContact O-N 3.49Å; L134-A136 PolarHBondContact O-N 3.43Å; L134-D137 PolarHBondContact O-N 3.43Å; L134-D137 VanDerWaalsContact O-N 3.13Å; L134-I139 WeakPolarHBondContact O-CD1 3.26Å; L134-S169 VanDerWaalsContact CD1-CB 3.44Å; L134-V171 HydrophobicContact CD1-CG2 3.74Å
135A93.4Very high94Very high19 Ų1949 Ų4916%0.15725%0.249CC..Hα-helixtrans-62-27.5177.400000112.7I130 N131 D132 D137 N138 I139 I159I130-A135 HydrophobicContact CD1-CB 4.12Å; N131-A135 PolarHBondContact O-N 3.27Å; N131-A135 VanDerWaalsContact O-N 3.09Å; D132-A135 WeakPolarHBondContact O-CB 3.47Å; D132-A135 PolarHBondContact O-N 2.96Å; D132-A135 VanDerWaalsContact O-N 3.16Å; A135-D137 PolarHBondContact O-N 2.76Å; A135-N138 PolarHBondContact O-N 2.94Å; A135-I139 PolarHBondContact O-N 3.24Å; A135-I139 VanDerWaalsContact O-N 3.17Å; A135-I159 HydrophobicContact CB-CD1 3.83Å; A135-I159 HydrophobicContact CB-CG1 4.24Å; A135-I159 HydrophobicContact CB-CG2 4.18Å
136A90.6Very high94Very high40 Ų4051.2 Ų51.233%0.33125%0.254SS..THydrogen-bonded Turntrans-63.2-20.5175.600000114.2D132 K133 L134 N138 V305 T306D132-A136 PolarHBondContact O-N 2.98Å; K133-A136 WeakPolarHBondContact O-CB 3.49Å; K133-A136 PolarHBondContact O-N 3.48Å; L134-A136 PolarHBondContact O-N 3.43Å; A136-N138 PolarHBondContact O-N 3.18Å; A136-V305 HydrophobicContact CB-CG2 3.46Å; A136-V305 VanDerWaalsContact CB-CG2 3.46Å; A136-T306 HydrophobicContact CB-CG2 3.62Å
137D86.8Confident94Very high59 Ų5946.4 Ų46.432%0.31623%0.232SC..THydrogen-bonded Turntrans-78.536.2172.8-77.8-19.7000112.1K99 L134 A135 I139K99-D137 WeakPolarHBondContact CE-OD2 3.36Å; K99-D137 IonicContact NZ-OD1 3.08Å; K99-D137 IonicContact NZ-OD2 2.76Å; K99-D137 PolarHBondContact NZ-OD2 3.1Å; L134-D137 PolarHBondContact O-N 3.43Å; L134-D137 VanDerWaalsContact O-N 3.13Å; A135-D137 PolarHBondContact O-N 2.76Å; D137-I139 VanDerWaalsContact C-N 3.26Å; D137-I139 PolarHBondContact O-N 3.32Å
138N87.9Confident93.7Very high144 Ų14448.5 Ų48.577%0.7724%0.241SC*.THydrogen-bonded Turntrans61.723.4-177.3-62-58.3000115.5A135 A136A135-N138 PolarHBondContact O-N 2.94Å; A136-N138 PolarHBondContact O-N 3.18Å
139I92.3Very high93.2Very high14 Ų1456 Ų567%0.07228%0.28CS..  trans-91.6124.7179.1-52170.2000109.2L96 I130 L134 A135 D137 D143 L145 V156L96-I139 HydrophobicContact CD2-CD1 3.39Å; L96-I139 HydrophobicContact CD2-CG1 4.43Å; I130-I139 HydrophobicContact CD1-CB 3.99Å; I130-I139 HydrophobicContact CD1-CD1 4.41Å; I130-I139 HydrophobicContact CD1-CG2 3.61Å; L134-I139 WeakPolarHBondContact O-CD1 3.26Å; A135-I139 PolarHBondContact O-N 3.24Å; A135-I139 VanDerWaalsContact O-N 3.17Å; D137-I139 VanDerWaalsContact C-N 3.26Å; D137-I139 PolarHBondContact O-N 3.32Å; I139-D143 HydrophobicContact CG2-CB 4.3Å; I139-L145 HydrophobicContact CD1-CD2 3.88Å; I139-L145 HydrophobicContact CG1-CD2 4.36Å; I139-L145 HydrophobicContact CG2-CD1 4.44Å; I139-L145 HydrophobicContact CG2-CD2 3.97Å; I139-V156 HydrophobicContact CG2-CG2 3.8Å
140R93.9Very high92.7Very high184 Ų18457.7 Ų57.769%0.69429%0.29SS*.  trans-113.1159.6-179.4-60.3-179-179-176.51.2111.4G142 D143R140-G142 PolarHBondContact O-N 3.22Å; R140-D143 PolarHBondContact N-OD2 2.9Å; R140-D143 WeakPolarHBondContact O-CB 3.18Å; R140-D143 PolarHBondContact O-N 2.91Å
141V95.4Very high92.1Very high56 Ų5663.5 Ų63.534%0.33933%0.331SS..THydrogen-bonded Turntrans-58.5125168.2178.50000108.8S157 I159V141-S157 WeakPolarHBondContact CG1-O 3.27Å; V141-I159 HydrophobicContact CG2-CD1 4.12Å; V141-I159 HydrophobicContact CG2-CG1 4Å
142G95Very high91.9Very high31 Ų3165.6 Ų65.632%0.3234%0.343SS..THydrogen-bonded Turntrans108.1-24.1-173.300000114.3R140 V156R140-G142 PolarHBondContact O-N 3.22Å; G142-V156 PolarHBondContact N-O 2.87Å
143D95.5Very high91.9Very high69 Ų6966.9 Ų66.937%0.36935%0.353SS..  trans-69.5165.4179.4-65.7-16.6000111.5I139 R140 R155 V156I139-D143 HydrophobicContact CG2-CB 4.3Å; R140-D143 PolarHBondContact N-OD2 2.9Å; R140-D143 WeakPolarHBondContact O-CB 3.18Å; R140-D143 PolarHBondContact O-N 2.91Å; D143-R155 CarbonylContact O-C 3.39Å; D143-R155 WeakPolarHBondContact O-CA 3.42Å; D143-V156 PolarHBondContact O-N 3.38Å
144R94.4Very high92.1Very high183 Ų18364.8 Ų64.869%0.69134%0.344SS*.EExtended strand (participates in β ladder)trans-116.2133.3-178.1-74-177.2177177.40.4111.6S153 Y154R144-S153 WeakPolarHBondContact CB-OG 3.25Å; R144-S153 WeakPolarHBondContact CD-OG 3.25Å; R144-Y154 CarbonylContact C-O 3.56Å; R144-Y154 VanDerWaalsContact CA-O 3.28Å; R144-Y154 WeakPolarHBondContact CA-O 3.47Å
145L94.6Very high92.3Very high11 Ų1171.1 Ų71.16%0.05837%0.368CS..EExtended strand (participates in β ladder)trans-117.1154.8-180-56.6177.8000110.6L94 V128 I130 I139 Y154 V156L94-L145 HydrophobicContact CD1-CB 4.08Å; L94-L145 HydrophobicContact CD1-CD1 4.34Å; L94-L145 HydrophobicContact CD2-CD1 4.22Å; L94-L145 HydrophobicContact CD2-CD2 4.5Å; V128-L145 HydrophobicContact CG2-CD1 4.22Å; I130-L145 HydrophobicContact CG2-CD1 3.82Å; I139-L145 HydrophobicContact CD1-CD2 3.88Å; I139-L145 HydrophobicContact CG1-CD2 4.36Å; I139-L145 HydrophobicContact CG2-CD1 4.44Å; I139-L145 HydrophobicContact CG2-CD2 3.97Å; L145-Y154 PolarHBondContact N-O 3.26Å; L145-Y154 PolarHBondContact O-N 3.45Å; L145-V156 HydrophobicContact CD1-CG2 3.58Å; L145-V156 HydrophobicContact CG-CG2 3.78Å
146H94.6Very high92.5Very high76 Ų7670.2 Ų70.235%0.35236%0.36SS..EExtended strand (participates in β ladder)trans-129.7134.5176.9-59.686.5000109.3K95 S153K95-H146 PolarHBondContact N-O 2.88Å; H146-S153 PolarHBondContact CE1-OG 2.9Å; H146-S153 VanDerWaalsContact CE1-OG 3.28Å; H146-S153 VanDerWaalsContact NE2-CB 3.32Å; H146-S153 WeakPolarHBondContact NE2-CB 3.42Å; H146-S153 PolarHBondContact NE2-OG 3.42Å
147F94.6Very high92.8Very high2 Ų269 Ų691%0.00935%0.349CS..EExtended strand (participates in β ladder)trans-84.7145.3168.5-63.8-84.1000109.5Q92 T93 L94 V103 T105 V128 N149 N150 Y154 V171 L181Q92-F147 HydrophobicContact CB-CD1 3.7Å; Q92-F147 HydrophobicContact CB-CE1 4.03Å; Q92-F147 HydrophobicContact CG-CD1 4.47Å; T93-F147 CarbonylContact O-C 3.48Å; T93-F147 WeakPolarHBondContact O-CA 3.32Å; L94-F147 HydrophobicContact CD1-CD1 3.88Å; L94-F147 HydrophobicContact CD1-CE1 3.71Å; L94-F147 HydrophobicContact CD1-CG 4.43Å; L94-F147 HydrophobicContact CD1-CZ 4.11Å; V103-F147 HydrophobicContact CG2-CE1 3.94Å; T105-F147 HydrophobicContact CG2-CE1 3.69Å; T105-F147 HydrophobicContact CG2-CZ 3.89Å; V128-F147 HydrophobicContact CG1-CE2 4.49Å; F147-N149 PolarHBondContact O-N 3.47Å; F147-N150 HydrophobicContact CB-CB 4.1Å; F147-N150 PolarHBondContact O-N 2.84Å; F147-N150 VanDerWaalsContact O-N 3.13Å; F147-N150 VanDerWaalsContact O-O 3.13Å; F147-Y154 AromaticContact CD2-CD2 3.63Å; F147-Y154 HydrophobicContact CD2-CD2 3.63Å; F147-Y154 AromaticContact CD2-CE2 3.55Å; F147-Y154 HydrophobicContact CD2-CE2 3.55Å; F147-Y154 HydrophobicContact CD2-CG 4.34Å; F147-Y154 HydrophobicContact CE2-CD1 4.32Å; F147-Y154 AromaticContact CE2-CD2 3.72Å; F147-Y154 HydrophobicContact CE2-CD2 3.72Å; F147-Y154 HydrophobicContact CE2-CE1 4.45Å; F147-Y154 AromaticContact CE2-CE2 3.89Å; F147-Y154 HydrophobicContact CE2-CE2 3.89Å; F147-Y154 AromaticContact CE2-CG 3.96Å; F147-Y154 HydrophobicContact CE2-CG 3.96Å; F147-V171 HydrophobicContact CZ-CG1 4.16Å; F147-L181 HydrophobicContact CB-CD1 4.07Å; F147-L181 HydrophobicContact CD1-CD2 4.19Å; F147-L181 HydrophobicContact CD2-CD1 4.01Å; F147-L181 HydrophobicContact CD2-CD2 3.68Å; F147-L181 HydrophobicContact CE1-CD2 4.07Å; F147-L181 HydrophobicContact CE2-CD2 3.56Å; F147-L181 HydrophobicContact CG-CD1 4.05Å; F147-L181 HydrophobicContact CG-CD2 3.99Å; F147-L181 HydrophobicContact CZ-CD2 3.76Å
148K92Very high93.3Very high75 Ų7566.1 Ų66.133%0.32633%0.334SS..THydrogen-bonded Turntrans-58.3139.6173.4-169.5176.1-1751700109T93 K95 E100 N150T93-K148 HydrophobicContact CG2-CB 4.17Å; T93-K148 HydrophobicContact CG2-CD 3.98Å; T93-K148 PolarHBondContact O-N 3.41Å; K95-K148 HydrophobicContact CG-CB 4.43Å; E100-K148 IonicContact OE1-NZ 2.74Å; E100-K148 WeakPolarHBondContact OE2-CD 3.15Å; E100-K148 VanDerWaalsContact OE2-CE 3.26Å; E100-K148 WeakPolarHBondContact OE2-CE 3.45Å; E100-K148 IonicContact OE2-NZ 3.01Å; E100-K148 PolarHBondContact OE2-NZ 2.89Å; K148-N150 PolarHBondContact O-N 3.03Å; K148-N150 VanDerWaalsContact O-N 3.16Å
149N85.5Confident93.8Very high158 Ų15860.3 Ų60.385%0.84530%0.302SS*.THydrogen-bonded Turntrans60.417.5-176.8-53.3-22.1000114.8F147F147-N149 PolarHBondContact O-N 3.47Å
150N87.7Confident94Very high37 Ų3759.6 Ų59.620%0.19830%0.299CS..  trans-124.4126.2169.7-164.1-44.3000109.6F147 K148 T152 L181F147-N150 HydrophobicContact CB-CB 4.1Å; F147-N150 PolarHBondContact O-N 2.84Å; F147-N150 VanDerWaalsContact O-N 3.13Å; F147-N150 VanDerWaalsContact O-O 3.13Å; K148-N150 PolarHBondContact O-N 3.03Å; K148-N150 VanDerWaalsContact O-N 3.16Å; N150-T152 VanDerWaalsContact C-N 3.27Å; N150-T152 WeakPolarHBondContact OD1-CA 3.1Å; N150-T152 WeakPolarHBondContact OD1-CB 3.43Å; N150-T152 PolarHBondContact OD1-N 2.91Å; N150-T152 PolarHBondContact OD1-OG1 3.32Å; N150-L181 HydrophobicContact CB-CD1 4.29Å; N150-L181 VanDerWaalsContact ND2-CD1 3.28Å; N150-L181 WeakPolarHBondContact ND2-CD1 3.43Å
151S84.6Confident93.8Very high122 Ų12253.3 Ų53.385%0.85328%0.279SS*.  trans-80.5-7.7178.650.20000113.6
152T92.5Very high93.5Very high43 Ų4353 Ų5326%0.26428%0.275SS..  trans-81.8136.9-175.8-45.90000110.9H126 N150 Y154H126-T152 WeakPolarHBondContact CD2-CG2 3.25Å; N150-T152 VanDerWaalsContact C-N 3.27Å; N150-T152 WeakPolarHBondContact OD1-CA 3.1Å; N150-T152 WeakPolarHBondContact OD1-CB 3.43Å; N150-T152 PolarHBondContact OD1-N 2.91Å; N150-T152 PolarHBondContact OD1-OG1 3.32Å; T152-Y154 HydrophobicContact CG2-CE2 4.22Å; T152-Y154 WeakPolarHBondContact O-CD2 3.34Å
153S93.4Very high93.5Very high36 Ų3651.5 Ų51.525%0.25226%0.26SS..EExtended strand (participates in β ladder)trans-94.5126.3177-155.50000110.4R144 H146R144-S153 WeakPolarHBondContact CB-OG 3.25Å; R144-S153 WeakPolarHBondContact CD-OG 3.25Å; H146-S153 PolarHBondContact CE1-OG 2.9Å; H146-S153 VanDerWaalsContact CE1-OG 3.28Å; H146-S153 VanDerWaalsContact NE2-CB 3.32Å; H146-S153 WeakPolarHBondContact NE2-CB 3.42Å; H146-S153 PolarHBondContact NE2-OG 3.42Å
154Y96.5Very high93.5Very high2 Ų248.6 Ų48.61%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-106.7125.9-178.3-68.5-97.8000110.6A125 H126 V128 R144 L145 F147 T152 L173A125-Y154 WeakPolarHBondContact O-CE1 3.21Å; H126-Y154 CarbonylContact O-C 3.53Å; H126-Y154 WeakPolarHBondContact O-CA 3.45Å; V128-Y154 HydrophobicContact CG1-CD1 3.74Å; V128-Y154 HydrophobicContact CG1-CG 4.05Å; R144-Y154 CarbonylContact C-O 3.56Å; R144-Y154 VanDerWaalsContact CA-O 3.28Å; R144-Y154 WeakPolarHBondContact CA-O 3.47Å; L145-Y154 PolarHBondContact N-O 3.26Å; L145-Y154 PolarHBondContact O-N 3.45Å; F147-Y154 AromaticContact CD2-CD2 3.63Å; F147-Y154 HydrophobicContact CD2-CD2 3.63Å; F147-Y154 AromaticContact CD2-CE2 3.55Å; F147-Y154 HydrophobicContact CD2-CE2 3.55Å; F147-Y154 HydrophobicContact CD2-CG 4.34Å; F147-Y154 HydrophobicContact CE2-CD1 4.32Å; F147-Y154 AromaticContact CE2-CD2 3.72Å; F147-Y154 HydrophobicContact CE2-CD2 3.72Å; F147-Y154 HydrophobicContact CE2-CE1 4.45Å; F147-Y154 AromaticContact CE2-CE2 3.89Å; F147-Y154 HydrophobicContact CE2-CE2 3.89Å; F147-Y154 AromaticContact CE2-CG 3.96Å; F147-Y154 HydrophobicContact CE2-CG 3.96Å; T152-Y154 HydrophobicContact CG2-CE2 4.22Å; T152-Y154 WeakPolarHBondContact O-CD2 3.34Å; Y154-L173 HydrophobicContact CD1-CD2 4.16Å; Y154-L173 HydrophobicContact CE1-CD2 3.85Å
155R97.3Very high93.5Very high133 Ų13340 Ų4050%0.50221%0.212SC..EExtended strand (participates in β ladder)trans-83.8132.7177.4-177.2-176.8175.9-168.8-1110.6H126 E127 V128 D143 S157H126-R155 PolarHBondContact O-N 2.94Å; E127-R155 CarbonylContact C-O 3.28Å; E127-R155 VanDerWaalsContact CA-O 3.3Å; E127-R155 WeakPolarHBondContact CA-O 2.91Å; V128-R155 PolarHBondContact N-O 3.45Å; D143-R155 CarbonylContact O-C 3.39Å; D143-R155 WeakPolarHBondContact O-CA 3.42Å; R155-S157 PolarHBondContact O-N 2.92Å
156V97.8Very high93.6Very high0 Ų040.9 Ų40.90%022%0.221CC..EExtended strand (participates in β ladder)trans-71.9111.9172.4-176.80000109.4V128 I130 I139 G142 D143 L145V128-V156 HydrophobicContact CG2-CG2 4.22Å; V128-V156 CarbonylContact O-C 3.53Å; V128-V156 WeakPolarHBondContact O-CA 3.28Å; I130-V156 HydrophobicContact CD1-CG1 4.11Å; I130-V156 HydrophobicContact CD1-CG2 4.42Å; I130-V156 HydrophobicContact CG1-CG1 4.09Å; I139-V156 HydrophobicContact CG2-CG2 3.8Å; G142-V156 PolarHBondContact N-O 2.87Å; D143-V156 PolarHBondContact O-N 3.38Å; L145-V156 HydrophobicContact CD1-CG2 3.58Å; L145-V156 HydrophobicContact CG-CG2 3.78Å
157S97.5Very high93.5Very high13 Ų1339.9 Ų39.99%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-93-28.9178.866.70000112.8D120 V128 V141 R155D120-S157 PolarHBondContact N-O 3.24Å; D120-S157 CarbonylContact O-C 3.43Å; D120-S157 VanDerWaalsContact O-C 3.28Å; D120-S157 WeakPolarHBondContact O-CB 3.25Å; D120-S157 PolarHBondContact O-OG 3.08Å; V128-S157 PolarHBondContact O-N 3.43Å; V128-S157 PolarHBondContact O-OG 2.96Å; V141-S157 WeakPolarHBondContact CG1-O 3.27Å; R155-S157 PolarHBondContact O-N 2.92Å
158G97.1Very high93.6Very high0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-157.6170-17500000113.7K118 D120 A129 I130K118-G158 CarbonylContact O-C 3.5Å; K118-G158 VanDerWaalsContact O-CA 3.25Å; K118-G158 WeakPolarHBondContact O-CA 3.44Å; D120-G158 PolarHBondContact O-N 3.28Å; A129-G158 VanDerWaalsContact CA-O 3.26Å; A129-G158 WeakPolarHBondContact CA-O 3.27Å; I130-G158 PolarHBondContact N-O 3.21Å; I130-G158 VanDerWaalsContact N-O 3.13Å
159I97.3Very high93.8Very high21 Ų2137.6 Ų37.611%0.10821%0.21CC..EExtended strand (participates in β ladder)trans-124.4122.2177.4-59.7173.3000108.2K117 K118 I130 D132 A135 V141K117-I159 HydrophobicContact CB-CG2 4.46Å; K117-I159 WeakPolarHBondContact CB-O 3.22Å; K117-I159 PolarHBondContact N-O 2.93Å; K118-I159 HydrophobicContact CB-CB 4.44Å; K118-I159 PolarHBondContact N-O 3.38Å; K118-I159 PolarHBondContact O-N 3.34Å; I130-I159 CarbonylContact O-C 3.52Å; I130-I159 WeakPolarHBondContact O-CA 3.33Å; D132-I159 HydrophobicContact CB-CG2 3.94Å; A135-I159 HydrophobicContact CB-CD1 3.83Å; A135-I159 HydrophobicContact CB-CG1 4.24Å; A135-I159 HydrophobicContact CB-CG2 4.18Å; V141-I159 HydrophobicContact CG2-CD1 4.12Å; V141-I159 HydrophobicContact CG2-CG1 4Å
160L96Very high94.3Very high0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans-81.8153.5175.1-51.6163.8000110.2I114 L116 A129 I130 D132 T163 I170 L172I114-L160 HydrophobicContact CB-CD2 4.33Å; I114-L160 HydrophobicContact CG2-CD2 3.98Å; L116-L160 HydrophobicContact CD2-CD2 3.76Å; L116-L160 HydrophobicContact CD2-CG 4.48Å; A129-L160 HydrophobicContact CB-CD2 4.19Å; A129-L160 HydrophobicContact CB-CG 4.18Å; I130-L160 PolarHBondContact O-N 2.84Å; D132-L160 PolarHBondContact N-O 3.47Å; D132-L160 VanDerWaalsContact N-O 3.16Å; L160-T163 WeakPolarHBondContact CB-OG1 3.49Å; L160-I170 HydrophobicContact CD1-CG2 4.22Å; L160-L172 HydrophobicContact CD1-CB 4.04Å; L160-L172 HydrophobicContact CD2-CD2 4.21Å
161N91.7Very high94.8Very high51 Ų5128.3 Ų28.327%0.27316%0.16SC..SBendtrans-90.3114.2-178.7-166.848.3000111.6H49 Q115 K117 T163H49-N161 PolarHBondContact CE1-O 3.02Å; H49-N161 PolarHBondContact NE2-O 2.83Å; Q115-N161 PolarHBondContact O-N 3.47Å; K117-N161 HydrophobicContact CB-CB 4.32Å; N161-T163 PolarHBondContact O-N 3.08Å; N161-T163 PolarHBondContact O-OG1 3.25Å; N161-T163 VanDerWaalsContact O-OG1 3.1Å
162D87.9Confident95.4Very high49 Ų4922.5 Ų22.526%0.26212%0.119SC..SBendtrans4626.2174.3-64.2-36.6000115.6R41 S45 D132 M164R41-D162 IonicContact CZ-OD2 3.02Å; R41-D162 IonicContact NH1-OD2 3.36Å; R41-D162 PolarHBondContact NH1-OD2 2.88Å; R41-D162 IonicContact NH2-OD2 2.87Å; S45-D162 WeakPolarHBondContact CB-O 3.42Å; S45-D162 PolarHBondContact OG-O 2.91Å; D132-D162 WeakPolarHBondContact OD1-CA 3.22Å; D132-D162 PolarHBondContact OD1-N 3.36Å; D132-D162 VanDerWaalsContact OD1-N 3.1Å; D162-M164 PolarHBondContact O-N 3.45Å
163T94.5Very high95.6Very high0 Ų020.4 Ų20.40%011%0.107CC..  trans-82.6110-171.9-39.70000110.8L46 H49 I114 N131 L160 N161 I170L46-T163 HydrophobicContact CD1-CG2 3.95Å; H49-T163 PolarHBondContact CE1-OG1 3.38Å; H49-T163 PolarHBondContact NE2-OG1 2.88Å; I114-T163 HydrophobicContact CD1-CG2 4.23Å; I114-T163 HydrophobicContact CG2-CG2 3.9Å; N131-T163 WeakPolarHBondContact CB-O 3.38Å; N131-T163 PolarHBondContact ND2-O 3.1Å; L160-T163 WeakPolarHBondContact CB-OG1 3.49Å; N161-T163 PolarHBondContact O-N 3.08Å; N161-T163 PolarHBondContact O-OG1 3.25Å; N161-T163 VanDerWaalsContact O-OG1 3.1Å; T163-I170 HydrophobicContact CG2-CB 3.98Å; T163-I170 HydrophobicContact CG2-CG1 3.77Å; T163-I170 HydrophobicContact CG2-CG2 4.37Å; T163-I170 PolarHBondContact O-N 2.91Å
164M95.6Very high95.7Very high8 Ų819.8 Ų19.84%0.03910%0.1CC..EExtended strand (participates in β ladder)trans-139.5155.7179.4-60.2-17368.700112.1E42 S45 L46 N131 K133 D162 H167 S168E42-M164 HydrophobicContact CB-CE 4.36Å; E42-M164 HydrophobicContact CB-SD 4.15Å; E42-M164 HydrophobicContact CG-CE 4.37Å; E42-M164 HydrophobicContact CG-SD 3.8Å; E42-M164 VanDerWaalsContact O-CB 3.29Å; E42-M164 WeakPolarHBondContact O-CB 3.49Å; S45-M164 WeakPolarHBondContact OG-CA 3.37Å; S45-M164 WeakPolarHBondContact OG-CB 3.46Å; S45-M164 PolarHBondContact OG-N 3.25Å; S45-M164 PolarHBondContact OG-O 3.1Å; S45-M164 VanDerWaalsContact OG-O 3.06Å; L46-M164 VanDerWaalsContact CB-O 3.31Å; L46-M164 WeakPolarHBondContact CB-O 3.35Å; L46-M164 PolarHBondContact N-O 2.94Å; N131-M164 WeakPolarHBondContact ND2-CG 3.37Å; K133-M164 HydrophobicContact CD-CE 3.75Å; K133-M164 HydrophobicContact CD-SD 3.62Å; D162-M164 PolarHBondContact O-N 3.45Å; M164-H167 VanDerWaalsContact CE-C 3.48Å; M164-H167 WeakPolarHBondContact CE-O 3.42Å; M164-S168 WeakPolarHBondContact CA-O 3.47Å
165Y95.9Very high95.6Very high4 Ų423 Ų232%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-139.4127.7171-180-98.7000109.5L46 F47 I65 E66 M89 I104 H167 S168 I220L46-Y165 HydrophobicContact CD2-CD2 4.13Å; L46-Y165 HydrophobicContact CD2-CG 4.3Å; F47-Y165 AromaticContact CE2-CD2 3.86Å; F47-Y165 HydrophobicContact CE2-CD2 3.86Å; F47-Y165 AromaticContact CE2-CE2 3.61Å; F47-Y165 HydrophobicContact CE2-CE2 3.61Å; F47-Y165 HydrophobicContact CZ-CD2 4.22Å; F47-Y165 AromaticContact CZ-CE2 3.71Å; F47-Y165 HydrophobicContact CZ-CE2 3.71Å; I65-Y165 HydrophobicContact CD1-CD2 3.91Å; I65-Y165 HydrophobicContact CD1-CE1 4.39Å; I65-Y165 HydrophobicContact CD1-CE2 3.53Å; I65-Y165 HydrophobicContact CD1-CG 4.49Å; I65-Y165 HydrophobicContact CG1-CE1 4.13Å; I65-Y165 HydrophobicContact CG1-CE2 3.73Å; I65-Y165 VanDerWaalsContact CG1-CZ 3.48Å; I65-Y165 WeakPolarHBondContact CG1-OH 3.43Å; E66-Y165 HydrophobicContact CB-CE1 4.24Å; E66-Y165 HydrophobicContact CG-CE1 4.46Å; E66-Y165 WeakPolarHBondContact OE2-CE1 3.28Å; E66-Y165 PolarHBondContact OE2-OH 3.43Å; M89-Y165 HydrophobicContact CE-CD1 3.97Å; M89-Y165 HydrophobicContact CE-CE1 4.18Å; I104-Y165 HydrophobicContact CD1-CD1 3.59Å; I104-Y165 HydrophobicContact CD1-CG 4.24Å; Y165-H167 VanDerWaalsContact C-N 3.29Å; Y165-H167 PolarHBondContact O-N 3.4Å; Y165-S168 PolarHBondContact N-O 3.49Å; Y165-S168 WeakPolarHBondContact O-CB 3.38Å; Y165-S168 PolarHBondContact O-N 2.86Å; Y165-I220 HydrophobicContact CD2-CD1 4.23Å; Y165-I220 HydrophobicContact CE2-CD1 3.53Å; Y165-I220 HydrophobicContact CE2-CG1 4.06Å
166A95.2Very high95.5Very high29 Ų2922.2 Ų22.224%0.2412%0.123CC..THydrogen-bonded Turntrans46.648.8-178.700000113.3N43 S168 I220N43-A166 PolarHBondContact O-N 3.46Å; N43-A166 VanDerWaalsContact O-N 3.1Å; A166-S168 PolarHBondContact O-N 3.49Å; A166-I220 HydrophobicContact CB-CG2 3.91Å
167H93.7Very high95.3Very high54 Ų5422.2 Ų22.225%0.2512%0.123CC..THydrogen-bonded Turntrans61.33.7-174.5-62-75.4000116.9E42 N43 M164 Y165 E226E42-H167 WeakPolarHBondContact CB-ND1 3.34Å; E42-H167 PolarHBondContact O-N 3.41Å; E42-H167 IonicContact OE2-CE1 2.68Å; E42-H167 IonicContact OE2-ND1 3.85Å; E42-H167 PolarHBondContact OE2-ND1 2.85Å; N43-H167 PolarHBondContact ND2-CE1 3.23Å; N43-H167 PolarHBondContact ND2-NE2 2.99Å; N43-H167 PolarHBondContact OD1-CD2 2.93Å; N43-H167 PolarHBondContact OD1-NE2 3.01Å; M164-H167 VanDerWaalsContact CE-C 3.48Å; M164-H167 WeakPolarHBondContact CE-O 3.42Å; Y165-H167 VanDerWaalsContact C-N 3.29Å; Y165-H167 PolarHBondContact O-N 3.4Å; H167-E226 IonicContact CD2-OE1 2.94Å; H167-E226 IonicContact CE1-OE1 2.64Å; H167-E226 IonicContact CE1-OE2 3.77Å; H167-E226 IonicContact NE2-OE1 2.82Å; H167-E226 PolarHBondContact NE2-OE1 2.77Å; H167-E226 VanDerWaalsContact NE2-OE1 3.08Å; H167-E226 IonicContact NE2-OE2 3.29Å; H167-E226 PolarHBondContact NE2-OE2 3.22Å; H167-E226 VanDerWaalsContact NE2-OE2 3.12Å
168S95.5Very high95.2Very high28 Ų2821.6 Ų21.620%0.19612%0.119CC..EExtended strand (participates in β ladder)trans-92.8131.5174.4-61.50000110.3M164 Y165 A166M164-S168 WeakPolarHBondContact CA-O 3.47Å; Y165-S168 PolarHBondContact N-O 3.49Å; Y165-S168 WeakPolarHBondContact O-CB 3.38Å; Y165-S168 PolarHBondContact O-N 2.86Å; A166-S168 PolarHBondContact O-N 3.49Å
169S96.2Very high95.1Very high1 Ų125.1 Ų25.11%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-65.4139.4173.3-73.20000111.1I104 N131 L134I104-S169 PolarHBondContact N-O 2.93Å; N131-S169 WeakPolarHBondContact ND2-CB 3.44Å; N131-S169 PolarHBondContact ND2-OG 3.01Å; N131-S169 WeakPolarHBondContact OD1-CB 3.43Å; N131-S169 PolarHBondContact OD1-OG 3.25Å; L134-S169 VanDerWaalsContact CD1-CB 3.44Å
170I96.7Very high94.8Very high0 Ų027.5 Ų27.50%016%0.161CC..EExtended strand (participates in β ladder)trans-84.3136.5173.4-59-51.8000110.7L46 I104 M106 N131 L160 T163L46-I170 HydrophobicContact CD1-CG1 4.49Å; I104-I170 HydrophobicContact CB-CD1 3.62Å; I104-I170 HydrophobicContact CD1-CD1 4.42Å; I104-I170 HydrophobicContact CG2-CD1 3.56Å; I104-I170 CarbonylContact O-C 3.59Å; I104-I170 WeakPolarHBondContact O-CA 3.26Å; M106-I170 HydrophobicContact CB-CG2 4.31Å; M106-I170 HydrophobicContact CG-CG2 4.14Å; M106-I170 HydrophobicContact SD-CD1 3.87Å; M106-I170 HydrophobicContact SD-CG1 4.29Å; M106-I170 HydrophobicContact SD-CG2 3.83Å; N131-I170 PolarHBondContact N-O 2.92Å; L160-I170 HydrophobicContact CD1-CG2 4.22Å; T163-I170 HydrophobicContact CG2-CB 3.98Å; T163-I170 HydrophobicContact CG2-CG1 3.77Å; T163-I170 HydrophobicContact CG2-CG2 4.37Å; T163-I170 PolarHBondContact O-N 2.91Å
171V97.3Very high94.7Very high0 Ų028.3 Ų28.30%017%0.165CC..EExtended strand (participates in β ladder)trans-120.4113.6168.1-178.10000108.6V103 I104 T105 M106 V128 A129 I130 L134 F147 L173V103-V171 HydrophobicContact CB-CG2 3.99Å; V103-V171 HydrophobicContact CG1-CG2 4.35Å; V103-V171 HydrophobicContact CG2-CG2 3.92Å; I104-V171 PolarHBondContact O-N 3.45Å; T105-V171 CarbonylContact C-O 3.58Å; T105-V171 VanDerWaalsContact CA-O 3.25Å; T105-V171 WeakPolarHBondContact CA-O 3.47Å; T105-V171 HydrophobicContact CG2-CB 4.36Å; M106-V171 PolarHBondContact N-O 2.7Å; V128-V171 HydrophobicContact CB-CG1 3.73Å; V128-V171 HydrophobicContact CG1-CG1 3.93Å; V128-V171 HydrophobicContact CG2-CG1 4.45Å; A129-V171 CarbonylContact O-C 3.57Å; A129-V171 WeakPolarHBondContact O-CA 3.35Å; I130-V171 HydrophobicContact CG2-CG1 4.25Å; I130-V171 HydrophobicContact CG2-CG2 4.2Å; L134-V171 HydrophobicContact CD1-CG2 3.74Å; F147-V171 HydrophobicContact CZ-CG1 4.16Å; V171-L173 HydrophobicContact CG1-CD1 4.45Å; V171-L173 WeakPolarHBondContact O-CD1 3.35Å
172L97.4Very high94.7Very high0 Ų026 Ų260%015%0.153CC..EExtended strand (participates in β ladder)trans-87.5135.3179.7-163.472.8000110.6M106 N107 D108 I114 Y121 P122 V128 A129 L160M106-L172 HydrophobicContact CB-CD1 4.13Å; M106-L172 CarbonylContact O-C 3.5Å; M106-L172 WeakPolarHBondContact O-CA 3.38Å; N107-L172 VanDerWaalsContact O-CD1 3.31Å; N107-L172 WeakPolarHBondContact O-CD1 3.38Å; D108-L172 HydrophobicContact CB-CD1 4.38Å; D108-L172 HydrophobicContact CB-CD2 3.98Å; D108-L172 HydrophobicContact CB-CG 4.08Å; I114-L172 HydrophobicContact CD1-CD1 4.33Å; Y121-L172 HydrophobicContact CD1-CD2 4.03Å; Y121-L172 HydrophobicContact CE1-CD2 4.42Å; P122-L172 HydrophobicContact CG-CG 4.5Å; V128-L172 CarbonylContact C-O 3.51Å; V128-L172 WeakPolarHBondContact CA-O 3.25Å; A129-L172 HydrophobicContact CB-CB 4.23Å; A129-L172 PolarHBondContact N-O 3.45Å; A129-L172 PolarHBondContact O-N 2.9Å; L160-L172 HydrophobicContact CD1-CB 4.04Å; L160-L172 HydrophobicContact CD2-CD2 4.21Å
173L97.1Very high94.5Very high0 Ų033.4 Ų33.40%018%0.183CC..EExtended strand (participates in β ladder)trans-126.7164.4174.4-58.5101.8000109.6T105 M106 N107 D108 V128 Y154 V171 F178 L181T105-L173 HydrophobicContact CG2-CD1 3.85Å; M106-L173 PolarHBondContact O-N 3.22Å; N107-L173 CarbonylContact C-O 3.52Å; N107-L173 VanDerWaalsContact CA-O 3.3Å; N107-L173 WeakPolarHBondContact CA-O 3.48Å; D108-L173 PolarHBondContact N-O 3.38Å; V128-L173 HydrophobicContact CG1-CD2 3.84Å; V128-L173 HydrophobicContact CG1-CG 3.97Å; Y154-L173 HydrophobicContact CD1-CD2 4.16Å; Y154-L173 HydrophobicContact CE1-CD2 3.85Å; V171-L173 HydrophobicContact CG1-CD1 4.45Å; V171-L173 WeakPolarHBondContact O-CD1 3.35Å; L173-F178 HydrophobicContact CB-CB 4.22Å; L173-F178 HydrophobicContact CD1-CD2 4.48Å; L173-L181 HydrophobicContact CD2-CD2 4.25Å
174N95.6Very high94Very high22 Ų2238.3 Ų38.312%0.11821%0.213CC..  trans-74.5168.8162.674-4.8000110.5K123 N124 A125 N176 G177 F178K123-N174 PolarHBondContact O-ND2 2.83Å; N124-N174 PolarHBondContact O-ND2 3.03Å; A125-N174 WeakPolarHBondContact CA-OD1 3.28Å; A125-N174 PolarHBondContact N-ND2 3.04Å; N174-N176 VanDerWaalsContact C-N 3.28Å; N174-N176 PolarHBondContact O-N 2.87Å; N174-N176 PolarHBondContact OD1-N 3.22Å; N174-G177 PolarHBondContact O-N 3.3Å; N174-G177 WeakPolarHBondContact OD1-CA 3.28Å; N174-G177 PolarHBondContact OD1-N 3.21Å; N174-F178 WeakPolarHBondContact O-CB 3.39Å; N174-F178 PolarHBondContact O-N 3.46Å
175D94.2Very high93.7Very high71 Ų7139.8 Ų39.838%0.3822%0.221SC..Hα-helixtrans-58.2-38.7-178-62.5-58000113.1N107 F178 N179N107-D175 WeakPolarHBondContact CB-OD1 3.38Å; N107-D175 PolarHBondContact ND2-OD1 2.96Å; D175-F178 PolarHBondContact O-N 3.34Å; D175-N179 VanDerWaalsContact O-CB 3.31Å; D175-N179 WeakPolarHBondContact O-CB 3.19Å; D175-N179 PolarHBondContact O-N 3.49Å; D175-N179 PolarHBondContact O-ND2 3.46Å
176N94.4Very high93.6Very high115 Ų11540.2 Ų40.262%0.61522%0.224SC*.Hα-helixtrans-66.2-45.7-179.6-69.9-17.9000111.9A125 N174 A180A125-N176 HydrophobicContact CB-CB 4.09Å; N174-N176 VanDerWaalsContact C-N 3.28Å; N174-N176 PolarHBondContact O-N 2.87Å; N174-N176 PolarHBondContact OD1-N 3.22Å; N176-A180 VanDerWaalsContact O-CB 3.26Å; N176-A180 WeakPolarHBondContact O-CB 3.49Å; N176-A180 PolarHBondContact O-N 2.96Å
177G94.9Very high93.6Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-66.7-42176.700000111.7A125 N174 A180 L181A125-G177 WeakPolarHBondContact O-CA 3.37Å; N174-G177 PolarHBondContact O-N 3.3Å; N174-G177 WeakPolarHBondContact OD1-CA 3.28Å; N174-G177 PolarHBondContact OD1-N 3.21Å; G177-A180 PolarHBondContact O-N 3.4Å; G177-L181 WeakPolarHBondContact O-CB 3.48Å; G177-L181 PolarHBondContact O-N 2.84Å
178F95.7Very high93.7Very high0 Ų036.3 Ų36.30%020%0.201CC..Hα-helixtrans-60.3-50.5175.8-178.5-91.2000111.7K88 N90 T105 N107 L173 N174 D175 A180 L181 N182 N185K88-F178 HydrophobicContact CB-CD1 4.08Å; K88-F178 HydrophobicContact CB-CE1 3.36Å; K88-F178 HydrophobicContact CB-CE2 4.47Å; K88-F178 HydrophobicContact CB-CZ 3.6Å; K88-F178 HydrophobicContact CD-CE1 4.19Å; K88-F178 HydrophobicContact CG-CE1 4.4Å; N90-F178 HydrophobicContact CB-CZ 4.46Å; T105-F178 WeakPolarHBondContact O-CE2 3.22Å; N107-F178 HydrophobicContact CB-CB 4.11Å; N107-F178 HydrophobicContact CB-CD2 4.5Å; N107-F178 HydrophobicContact CB-CG 4.11Å; L173-F178 HydrophobicContact CB-CB 4.22Å; L173-F178 HydrophobicContact CD1-CD2 4.48Å; N174-F178 WeakPolarHBondContact O-CB 3.39Å; N174-F178 PolarHBondContact O-N 3.46Å; D175-F178 PolarHBondContact O-N 3.34Å; F178-A180 VanDerWaalsContact C-N 3.34Å; F178-A180 PolarHBondContact O-N 2.89Å; F178-L181 PolarHBondContact O-N 2.94Å; F178-N182 VanDerWaalsContact CD2-ND2 3.31Å; F178-N182 WeakPolarHBondContact CD2-ND2 3.37Å; F178-N182 HydrophobicContact CE1-CB 4.12Å; F178-N182 HydrophobicContact CE2-CB 4.38Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.48Å; F178-N182 HydrophobicContact CZ-CB 4.04Å; F178-N182 VanDerWaalsContact O-CB 3.29Å; F178-N182 WeakPolarHBondContact O-CB 3.37Å; F178-N182 PolarHBondContact O-N 2.96Å; F178-N182 PolarHBondContact O-ND2 3.49Å; F178-N185 HydrophobicContact CE1-CB 3.63Å; F178-N185 HydrophobicContact CZ-CB 3.66Å
179N93.7Very high93.7Very high74 Ų7435 Ų3540%0.39619%0.192SC..Hα-helixtrans-68.9-31.2-178.8-67.4-30.6000112.7D175D175-N179 VanDerWaalsContact O-CB 3.31Å; D175-N179 WeakPolarHBondContact O-CB 3.19Å; D175-N179 PolarHBondContact O-N 3.49Å; D175-N179 PolarHBondContact O-ND2 3.46Å
180A92.7Very high93.7Very high72 Ų7235 Ų3560%0.59519%0.191SC*.Hα-helixtrans-69-35.6174.600000112.2N176 G177 F178N176-A180 VanDerWaalsContact O-CB 3.26Å; N176-A180 WeakPolarHBondContact O-CB 3.49Å; N176-A180 PolarHBondContact O-N 2.96Å; G177-A180 PolarHBondContact O-N 3.4Å; F178-A180 VanDerWaalsContact C-N 3.34Å; F178-A180 PolarHBondContact O-N 2.89Å
181L93Very high93.5Very high17 Ų1735.3 Ų35.39%0.08919%0.193CC..Hα-helixtrans-81.9-36.7178.7-175.660.4000112.5Q92 T105 F147 N150 L173 G177 F178Q92-L181 HydrophobicContact CG-CD2 4.04Å; Q92-L181 HydrophobicContact CG-CG 4.07Å; Q92-L181 PolarHBondContact NE2-O 3.03Å; T105-L181 HydrophobicContact CG2-CD2 3.88Å; F147-L181 HydrophobicContact CB-CD1 4.07Å; F147-L181 HydrophobicContact CD1-CD2 4.19Å; F147-L181 HydrophobicContact CD2-CD1 4.01Å; F147-L181 HydrophobicContact CD2-CD2 3.68Å; F147-L181 HydrophobicContact CE1-CD2 4.07Å; F147-L181 HydrophobicContact CE2-CD2 3.56Å; F147-L181 HydrophobicContact CG-CD1 4.05Å; F147-L181 HydrophobicContact CG-CD2 3.99Å; F147-L181 HydrophobicContact CZ-CD2 3.76Å; N150-L181 HydrophobicContact CB-CD1 4.29Å; N150-L181 VanDerWaalsContact ND2-CD1 3.28Å; N150-L181 WeakPolarHBondContact ND2-CD1 3.43Å; L173-L181 HydrophobicContact CD2-CD2 4.25Å; G177-L181 WeakPolarHBondContact O-CB 3.48Å; G177-L181 PolarHBondContact O-N 2.84Å; F178-L181 PolarHBondContact O-N 2.94Å
182N91.8Very high93.1Very high3 Ų339.4 Ų39.42%0.01621%0.211CC..  trans-119.6104-169.9-60.5-60.5000111.9N90 Q92 T105 F178N90-N182 HydrophobicContact CB-CB 4.09Å; N90-N182 WeakPolarHBondContact CB-OD1 3.43Å; N90-N182 PolarHBondContact ND2-OD1 2.87Å; Q92-N182 WeakPolarHBondContact CG-OD1 3.33Å; Q92-N182 PolarHBondContact NE2-OD1 3.09Å; T105-N182 PolarHBondContact OG1-ND2 2.94Å; T105-N182 PolarHBondContact OG1-OD1 3.48Å; F178-N182 VanDerWaalsContact CD2-ND2 3.31Å; F178-N182 WeakPolarHBondContact CD2-ND2 3.37Å; F178-N182 HydrophobicContact CE1-CB 4.12Å; F178-N182 HydrophobicContact CE2-CB 4.38Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.48Å; F178-N182 HydrophobicContact CZ-CB 4.04Å; F178-N182 VanDerWaalsContact O-CB 3.29Å; F178-N182 WeakPolarHBondContact O-CB 3.37Å; F178-N182 PolarHBondContact O-N 2.96Å; F178-N182 PolarHBondContact O-ND2 3.49Å
183K84Confident92.5Very high203 Ų20345.1 Ų45.188%0.88324%0.242SC*.SBendtrans-76.3-28.7174.1-65.7-175.3173.9179.60113.3
184V84.1Confident92.2Very high104 Ų10445.6 Ų45.663%0.6324%0.244SC*.SBendtrans-117.7135.4174.2-176.90000106.8N90N90-V184 PolarHBondContact ND2-O 2.65Å
185N88.4Confident92.1Very high38 Ų3848 Ų4820%0.20326%0.26CS..  trans-144.9156.1178.552.672.4000109.8K88 M89 F178K88-N185 HydrophobicContact CB-CB 4.29Å; M89-N185 WeakPolarHBondContact O-CA 3.27Å; F178-N185 HydrophobicContact CE1-CB 3.63Å; F178-N185 HydrophobicContact CZ-CB 3.66Å
186T94.6Very high92Very high14 Ų1450.1 Ų50.19%0.08627%0.268CS..EExtended strand (participates in β ladder)trans-96.9159.4162.666.30000109.4I65 E66 S68 K88 M89I65-T186 VanDerWaalsContact O-CB 3.29Å; I65-T186 WeakPolarHBondContact O-CB 3.2Å; I65-T186 PolarHBondContact O-OG1 2.79Å; E66-T186 VanDerWaalsContact C-CG2 3.46Å; E66-T186 WeakPolarHBondContact O-CG2 3.27Å; S68-T186 CarbonylContact O-C 3.58Å; S68-T186 WeakPolarHBondContact O-CA 3.5Å; S68-T186 WeakPolarHBondContact O-CB 3.41Å; K88-T186 CarbonylContact C-O 3.52Å; K88-T186 WeakPolarHBondContact CA-O 3.49Å; M89-T186 WeakPolarHBondContact CG-OG1 3.32Å; M89-T186 PolarHBondContact N-O 2.91Å; M89-T186 PolarHBondContact O-N 3.29Å
187A95.7Very high91.9Very high1 Ų151.1 Ų51.11%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-135.4139-179.100000111.3S68 L70 P86 Y87 K88S68-A187 VanDerWaalsContact CB-O 3.25Å; S68-A187 WeakPolarHBondContact CB-O 3.36Å; S68-A187 PolarHBondContact O-N 3.25Å; S68-A187 PolarHBondContact OG-O 3.16Å; L70-A187 HydrophobicContact CB-CB 4.22Å; L70-A187 HydrophobicContact CD1-CB 4.34Å; L70-A187 WeakPolarHBondContact CD1-O 3.46Å; P86-A187 HydrophobicContact CB-CB 4.07Å; Y87-A187 CarbonylContact O-C 3.51Å; Y87-A187 WeakPolarHBondContact O-CA 3.29Å; K88-A187 HydrophobicContact CG-CB 4.38Å
188F95.9Very high91.9Very high0 Ų053.6 Ų53.60%028%0.28CS..EExtended strand (participates in β ladder)trans-145.5158.8173.969.6-86.5000110.8L46 F50 Y55 V56 V57 I65 Y87 M89 M106 P190L46-F188 HydrophobicContact CD2-CZ 4.38Å; F50-F188 HydrophobicContact CE2-CE2 4.06Å; F50-F188 HydrophobicContact CE2-CZ 4.28Å; Y55-F188 HydrophobicContact CD1-CD2 4.06Å; Y55-F188 HydrophobicContact CD1-CE2 4.4Å; Y55-F188 HydrophobicContact CE1-CE2 4.48Å; V56-F188 WeakPolarHBondContact O-CA 3.25Å; V57-F188 HydrophobicContact CG1-CB 3.92Å; I65-F188 HydrophobicContact CB-CB 4.43Å; I65-F188 HydrophobicContact CB-CD1 4.01Å; I65-F188 HydrophobicContact CB-CG 4.23Å; I65-F188 HydrophobicContact CD1-CD1 4.36Å; I65-F188 HydrophobicContact CD1-CE1 4.01Å; I65-F188 HydrophobicContact CD1-CZ 4.2Å; I65-F188 HydrophobicContact CG2-CB 4.11Å; I65-F188 HydrophobicContact CG2-CD1 4.33Å; I65-F188 HydrophobicContact CG2-CD2 4.4Å; I65-F188 HydrophobicContact CG2-CG 4.04Å; Y87-F188 VanDerWaalsContact CB-CZ 3.49Å; Y87-F188 HydrophobicContact CD2-CE2 4.3Å; Y87-F188 HydrophobicContact CD2-CZ 4.47Å; Y87-F188 HydrophobicContact CG-CE2 4.28Å; Y87-F188 HydrophobicContact CG-CZ 4.02Å; Y87-F188 PolarHBondContact N-O 2.75Å; Y87-F188 PolarHBondContact O-N 3.47Å; M89-F188 HydrophobicContact SD-CD1 4.29Å; M89-F188 HydrophobicContact SD-CE1 3.94Å; M106-F188 HydrophobicContact CE-CE1 4.01Å; M106-F188 HydrophobicContact CE-CZ 3.76Å; F188-P190 HydrophobicContact CE2-CG 4.42Å
189Y95.5Very high91.8Very high0 Ų056.7 Ų56.70%029%0.292CS..EExtended strand (participates in β ladder)trans-124.7109.3177.4-58.3-102.8000109.7Y55 V56 L70 Q75 I78 I82 Q84 P86 V191Y55-Y189 CarbonylContact C-O 3.43Å; Y55-Y189 VanDerWaalsContact CA-O 3.24Å; Y55-Y189 WeakPolarHBondContact CA-O 3.18Å; V56-Y189 HydrophobicContact CB-CD2 4.18Å; V56-Y189 HydrophobicContact CB-CG 4.47Å; V56-Y189 PolarHBondContact N-O 2.85Å; V56-Y189 PolarHBondContact O-N 3.1Å; L70-Y189 HydrophobicContact CD1-CD2 4.13Å; L70-Y189 HydrophobicContact CD1-CE2 3.76Å; Q75-Y189 VanDerWaalsContact CA-OH 3.27Å; Q75-Y189 WeakPolarHBondContact CA-OH 3.46Å; Q75-Y189 VanDerWaalsContact CB-OH 3.26Å; Q75-Y189 WeakPolarHBondContact CB-OH 3.41Å; Q75-Y189 WeakPolarHBondContact CG-OH 3.43Å; Q75-Y189 PolarHBondContact O-OH 2.95Å; I78-Y189 HydrophobicContact CB-CE2 4.16Å; I78-Y189 HydrophobicContact CD1-CD2 4.16Å; I78-Y189 HydrophobicContact CD1-CE2 3.69Å; I78-Y189 HydrophobicContact CG2-CD1 4Å; I78-Y189 HydrophobicContact CG2-CD2 3.79Å; I78-Y189 HydrophobicContact CG2-CE1 3.9Å; I78-Y189 HydrophobicContact CG2-CE2 3.74Å; I78-Y189 HydrophobicContact CG2-CG 3.92Å; I82-Y189 HydrophobicContact CD1-CD1 3.58Å; I82-Y189 HydrophobicContact CD1-CE1 4.38Å; I82-Y189 HydrophobicContact CD1-CG 3.82Å; Q84-Y189 HydrophobicContact CG-CD1 4.31Å; Q84-Y189 WeakPolarHBondContact O-CE1 3.05Å; P86-Y189 VanDerWaalsContact CA-CE1 3.45Å; P86-Y189 HydrophobicContact CB-CD1 4.27Å; P86-Y189 HydrophobicContact CB-CD2 4.45Å; P86-Y189 HydrophobicContact CB-CE1 3.68Å; P86-Y189 HydrophobicContact CB-CE2 3.83Å; P86-Y189 VanDerWaalsContact CB-CZ 3.41Å; P86-Y189 WeakPolarHBondContact CB-OH 3.15Å; P86-Y189 WeakPolarHBondContact CD-OH 3.36Å; P86-Y189 HydrophobicContact CG-CE1 4.11Å; P86-Y189 WeakPolarHBondContact CG-OH 3.44Å; P86-Y189 VanDerWaalsContact N-CE1 3.26Å; Y189-V191 PolarHBondContact O-N 2.91Å
190P94.6Very high91.7Very high0 Ų056.6 Ų56.60%029%0.291CS..EExtended strand (participates in β ladder)trans-71.8127.5169.534.7-35.7000107.3F50 N52 Y55 Q84 Y87 Q112 F188F50-P190 HydrophobicContact CB-CB 4.06Å; F50-P190 HydrophobicContact CD1-CB 4.3Å; F50-P190 HydrophobicContact CD1-CG 4.06Å; F50-P190 HydrophobicContact CD2-CB 4.07Å; F50-P190 HydrophobicContact CD2-CG 4.39Å; F50-P190 HydrophobicContact CE1-CG 4.28Å; F50-P190 HydrophobicContact CG-CB 3.88Å; F50-P190 HydrophobicContact CG-CG 4.13Å; N52-P190 HydrophobicContact CB-CB 4.46Å; N52-P190 VanDerWaalsContact ND2-CB 3.25Å; N52-P190 WeakPolarHBondContact ND2-CB 3.4Å; N52-P190 PolarHBondContact ND2-O 3.25Å; Y55-P190 HydrophobicContact CD1-CB 3.82Å; Y55-P190 HydrophobicContact CE1-CB 3.51Å; Q84-P190 PolarHBondContact NE2-O 3.48Å; Q84-P190 VanDerWaalsContact NE2-O 3.11Å; Q84-P190 PolarHBondContact OE1-O 3.4Å; Y87-P190 HydrophobicContact CD2-CG 3.68Å; Y87-P190 HydrophobicContact CE2-CG 3.82Å; Q112-P190 PolarHBondContact OE1-O 2.85Å; F188-P190 HydrophobicContact CE2-CG 4.42Å
191V93Very high91.8Very high7 Ų756.8 Ų56.84%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-133138.8-174.3-71.10000111.7N52 E54 V56 I82 Y189 L194N52-V191 WeakPolarHBondContact CB-O 3.24Å; N52-V191 PolarHBondContact ND2-N 2.93Å; N52-V191 VanDerWaalsContact ND2-N 3.16Å; E54-V191 HydrophobicContact CB-CG2 3.87Å; E54-V191 PolarHBondContact N-O 3.44Å; E54-V191 VanDerWaalsContact O-CG2 3.3Å; E54-V191 WeakPolarHBondContact O-CG2 3.11Å; E54-V191 PolarHBondContact O-N 3.19Å; V56-V191 HydrophobicContact CG2-CG1 4.06Å; V56-V191 HydrophobicContact CG2-CG2 4.03Å; I82-V191 HydrophobicContact CD1-CG1 3.59Å; I82-V191 HydrophobicContact CG2-CG1 4.37Å; Y189-V191 PolarHBondContact O-N 2.91Å; V191-L194 HydrophobicContact CB-CD1 4.23Å; V191-L194 HydrophobicContact CB-CG 4.18Å; V191-L194 HydrophobicContact CG2-CD1 3.55Å; V191-L194 HydrophobicContact CG2-CG 4.02Å
192K88.7Confident91.9Very high87 Ų8756 Ų5638%0.37828%0.276SS..SBendtrans-111.7141.6175.8-155.6-176.2-166162.70111D51 N52 L194D51-K192 WeakPolarHBondContact O-CD 3.31Å; D51-K192 WeakPolarHBondContact O-CE 3.45Å; D51-K192 WeakPolarHBondContact O-CG 3.44Å; D51-K192 PolarHBondContact O-NZ 2.9Å; D51-K192 IonicContact OD1-NZ 3.69Å; D51-K192 PolarHBondContact OD1-NZ 3.24Å; D51-K192 IonicContact OD2-NZ 3.73Å; D51-K192 PolarHBondContact OD2-NZ 3.42Å; N52-K192 WeakPolarHBondContact OD1-CB 3.41Å; K192-L194 VanDerWaalsContact C-N 3.31Å; K192-L194 PolarHBondContact O-N 3.37Å
193N86Confident91.9Very high120 Ų12059.8 Ų59.864%0.64230%0.296SS*.SBendtrans53.943.2167.9-61.7-33.7000113.5T195N193-T195 PolarHBondContact O-N 2.93Å
194L90.5Very high92.3Very high9 Ų958.1 Ų58.15%0.04729%0.289CS..  trans-56.7129.9173.5-79.9169.3000109.6I82 V191 K192 Q198 R199 L202 V210I82-L194 HydrophobicContact CG2-CD2 3.87Å; V191-L194 HydrophobicContact CB-CD1 4.23Å; V191-L194 HydrophobicContact CB-CG 4.18Å; V191-L194 HydrophobicContact CG2-CD1 3.55Å; V191-L194 HydrophobicContact CG2-CG 4.02Å; K192-L194 VanDerWaalsContact C-N 3.31Å; K192-L194 PolarHBondContact O-N 3.37Å; L194-Q198 HydrophobicContact CD2-CB 3.63Å; L194-Q198 HydrophobicContact CD2-CG 4.46Å; L194-R199 HydrophobicContact CB-CG 3.97Å; L194-R199 HydrophobicContact CD1-CG 4.05Å; L194-R199 VanDerWaalsContact O-CZ 3.23Å; L194-R199 PolarHBondContact O-NH1 3.13Å; L194-R199 PolarHBondContact O-NH2 3.34Å; L194-L202 HydrophobicContact CD1-CD1 3.89Å; L194-L202 HydrophobicContact CD2-CD1 3.86Å; L194-V210 HydrophobicContact CD1-CG1 3.72Å; L194-V210 HydrophobicContact CD1-CG2 4.11Å
195T92.8Very high92.8Very high74 Ų7453.8 Ų53.845%0.45426%0.262SS..  trans-67.5156.8167.960.30000109.9N193 Q197 Q198 R199N193-T195 PolarHBondContact O-N 2.93Å; T195-Q197 PolarHBondContact O-N 2.88Å; T195-Q198 PolarHBondContact O-N 3.3Å; T195-Q198 VanDerWaalsContact O-N 3.13Å; T195-Q198 VanDerWaalsContact OG1-CG 3.24Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.36Å; T195-Q198 PolarHBondContact OG1-N 3.4Å; T195-Q198 PolarHBondContact OG1-OE1 3.46Å; T195-R199 PolarHBondContact O-N 3.49Å
196Q91.8Very high93.1Very high115 Ų11558.5 Ų58.554%0.53729%0.287SS..Hα-helixtrans-58.1-38.1177-169.758.829.800111.7R199 D200Q196-R199 PolarHBondContact O-N 2.94Å; Q196-D200 PolarHBondContact NE2-OD1 2.79Å; Q196-D200 VanDerWaalsContact NE2-OD1 3.13Å; Q196-D200 PolarHBondContact O-N 3.16Å
197Q93Very high93.1Very high135 Ų13560.9 Ų60.963%0.63130%0.3SS*.Hα-helixtrans-61.7-45.1176-173.6-178.9-2100112.2T195 D200 E201T195-Q197 PolarHBondContact O-N 2.88Å; Q197-D200 PolarHBondContact O-N 2.9Å; Q197-E201 PolarHBondContact NE2-OE1 2.97Å; Q197-E201 WeakPolarHBondContact O-CG 3.3Å; Q197-E201 PolarHBondContact O-N 3.36Å
198Q94Very high93.1Very high53 Ų5361.1 Ų61.125%0.24830%0.301CS..Hα-helixtrans-65.2-40.2177-71.6168.1-56.300111.8V81 L194 T195 D200 E201 L202V81-Q198 HydrophobicContact CG1-CB 3.92Å; V81-Q198 HydrophobicContact CG1-CG 3.9Å; V81-Q198 PolarHBondContact O-NE2 2.77Å; L194-Q198 HydrophobicContact CD2-CB 3.63Å; L194-Q198 HydrophobicContact CD2-CG 4.46Å; T195-Q198 PolarHBondContact O-N 3.3Å; T195-Q198 VanDerWaalsContact O-N 3.13Å; T195-Q198 VanDerWaalsContact OG1-CG 3.24Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.36Å; T195-Q198 PolarHBondContact OG1-N 3.4Å; T195-Q198 PolarHBondContact OG1-OE1 3.46Å; Q198-D200 VanDerWaalsContact C-N 3.32Å; Q198-D200 PolarHBondContact O-N 2.87Å; Q198-E201 PolarHBondContact O-N 3.03Å; Q198-L202 WeakPolarHBondContact O-CB 3.47Å; Q198-L202 VanDerWaalsContact O-CG 3.25Å; Q198-L202 WeakPolarHBondContact O-CG 3.25Å; Q198-L202 PolarHBondContact O-N 3.24Å
199R93.1Very high93.1Very high65 Ų6562.8 Ų62.825%0.24531%0.308CS..Hα-helixtrans-57.2-46.4172.8-90.5-170-81-90.3-8.6111.3E54 L194 T195 Q196 L202 N203 V210E54-R199 IonicContact OE1-CZ 2.63Å; E54-R199 IonicContact OE1-NH1 3.24Å; E54-R199 PolarHBondContact OE1-NH1 3.26Å; E54-R199 IonicContact OE2-NH1 2.95Å; E54-R199 PolarHBondContact OE2-NH1 3.17Å; L194-R199 HydrophobicContact CB-CG 3.97Å; L194-R199 HydrophobicContact CD1-CG 4.05Å; L194-R199 VanDerWaalsContact O-CZ 3.23Å; L194-R199 PolarHBondContact O-NH1 3.13Å; L194-R199 PolarHBondContact O-NH2 3.34Å; T195-R199 PolarHBondContact O-N 3.49Å; Q196-R199 PolarHBondContact O-N 2.94Å; R199-L202 PolarHBondContact O-N 3.25Å; R199-N203 WeakPolarHBondContact O-CB 3.33Å; R199-N203 VanDerWaalsContact O-CG 3.28Å; R199-N203 PolarHBondContact O-N 3.49Å; R199-N203 PolarHBondContact O-ND2 3.36Å; R199-V210 HydrophobicContact CG-CG2 4.46Å
200D92.9Very high93.1Very high72 Ų7264 Ų6439%0.38532%0.316SS..Hα-helixtrans-67.2-36.8-179.9-65.4-16.9000112Q196 Q197 Q198 K204Q196-D200 PolarHBondContact NE2-OD1 2.79Å; Q196-D200 VanDerWaalsContact NE2-OD1 3.13Å; Q196-D200 PolarHBondContact O-N 3.16Å; Q197-D200 PolarHBondContact O-N 2.9Å; Q198-D200 VanDerWaalsContact C-N 3.32Å; Q198-D200 PolarHBondContact O-N 2.87Å; D200-K204 WeakPolarHBondContact O-CD 3.26Å; D200-K204 WeakPolarHBondContact O-CG 3.3Å; D200-K204 PolarHBondContact O-N 2.69Å
201E94.7Very high93.2Very high75 Ų7564.4 Ų64.435%0.3532%0.318SS..Hα-helixtrans-66.9-42.3174.4-76177.5-164.300112.2V81 Q197 Q198 K204V81-E201 HydrophobicContact CG1-CB 4.21Å; V81-E201 HydrophobicContact CG2-CB 4.17Å; Q197-E201 PolarHBondContact NE2-OE1 2.97Å; Q197-E201 WeakPolarHBondContact O-CG 3.3Å; Q197-E201 PolarHBondContact O-N 3.36Å; Q198-E201 PolarHBondContact O-N 3.03Å; E201-K204 PolarHBondContact O-N 3.34Å
202L94.7Very high93.3Very high0 Ų066 Ų660%033%0.329CS..Hα-helixtrans-65.8-43.2176.8-70.7168.8000111.8V56 I78 V81 I82 L194 Q198 R199 K204 I205 V210V56-L202 HydrophobicContact CG1-CD2 4.34Å; V56-L202 HydrophobicContact CG2-CD1 3.8Å; V56-L202 HydrophobicContact CG2-CD2 4.5Å; I78-L202 HydrophobicContact CB-CD2 4.24Å; I78-L202 HydrophobicContact CG1-CD2 4.02Å; I78-L202 HydrophobicContact CG2-CD2 3.95Å; V81-L202 HydrophobicContact CB-CD2 4.15Å; V81-L202 HydrophobicContact CG1-CD2 4.27Å; V81-L202 HydrophobicContact CG1-CG 4.09Å; V81-L202 HydrophobicContact CG2-CD2 4.46Å; I82-L202 HydrophobicContact CG2-CD1 4.05Å; I82-L202 HydrophobicContact CG2-CD2 4.45Å; L194-L202 HydrophobicContact CD1-CD1 3.89Å; L194-L202 HydrophobicContact CD2-CD1 3.86Å; Q198-L202 WeakPolarHBondContact O-CB 3.47Å; Q198-L202 VanDerWaalsContact O-CG 3.25Å; Q198-L202 WeakPolarHBondContact O-CG 3.25Å; Q198-L202 PolarHBondContact O-N 3.24Å; R199-L202 PolarHBondContact O-N 3.25Å; L202-K204 PolarHBondContact O-N 3.36Å; L202-I205 HydrophobicContact CD2-CD1 4.19Å; L202-I205 WeakPolarHBondContact O-CB 3.35Å; L202-I205 PolarHBondContact O-N 3.34Å; L202-I205 VanDerWaalsContact O-N 3.07Å; L202-V210 HydrophobicContact CB-CG2 3.93Å; L202-V210 HydrophobicContact CD1-CG2 3.82Å
203N90.9Very high93.5Very high84 Ų8464.5 Ų64.545%0.44932%0.324SS..Hα-helixtrans-70.1-16.1179.3-72.9-29.6000113.6R199 I205 V210R199-N203 WeakPolarHBondContact O-CB 3.33Å; R199-N203 VanDerWaalsContact O-CG 3.28Å; R199-N203 PolarHBondContact O-N 3.49Å; R199-N203 PolarHBondContact O-ND2 3.36Å; N203-I205 VanDerWaalsContact C-N 3.35Å; N203-V210 PolarHBondContact OD1-N 3.29Å
204K93.9Very high93.8Very high167 Ų16766.9 Ų66.973%0.72633%0.329SS*.THydrogen-bonded Turntrans-78.6-19.7171.1-76.2167.3-170.8173.20112.7D200 E201 L202 N206D200-K204 WeakPolarHBondContact O-CD 3.26Å; D200-K204 WeakPolarHBondContact O-CG 3.3Å; D200-K204 PolarHBondContact O-N 2.69Å; E201-K204 PolarHBondContact O-N 3.34Å; L202-K204 PolarHBondContact O-N 3.36Å; K204-N206 PolarHBondContact O-N 2.96Å
205I94.5Very high94Very high14 Ų1470.2 Ų70.27%0.07235%0.347CS..SBendtrans-68.8128175.6-57.9170.4000107.6Q74 Q77 I78 L202 N203 D207 V208Q74-I205 HydrophobicContact CB-CG2 4.38Å; Q74-I205 HydrophobicContact CG-CG2 4.03Å; Q77-I205 HydrophobicContact CB-CD1 3.71Å; Q77-I205 HydrophobicContact CB-CG1 4.18Å; I78-I205 HydrophobicContact CG1-CD1 3.76Å; L202-I205 HydrophobicContact CD2-CD1 4.19Å; L202-I205 WeakPolarHBondContact O-CB 3.35Å; L202-I205 PolarHBondContact O-N 3.34Å; L202-I205 VanDerWaalsContact O-N 3.07Å; N203-I205 VanDerWaalsContact C-N 3.35Å; I205-D207 PolarHBondContact O-N 3.08Å; I205-V208 HydrophobicContact CB-CB 4.02Å; I205-V208 HydrophobicContact CB-CG2 4.05Å; I205-V208 HydrophobicContact CG2-CB 4.11Å; I205-V208 HydrophobicContact CG2-CG2 3.56Å; I205-V208 PolarHBondContact O-N 3.47Å
206N93.8Very high94.1Very high137 Ų13766.8 Ų66.873%0.73333%0.325SS*.THydrogen-bonded Turntrans-58.5136.3-178.1-171.524.3000110.5Q74 K204 V208Q74-N206 PolarHBondContact NE2-O 2.82Å; K204-N206 PolarHBondContact O-N 2.96Å; N206-V208 PolarHBondContact O-N 2.82Å
207D94.4Very high94.2Very high64 Ų6461.9 Ų61.934%0.34230%0.303SS..THydrogen-bonded Turntrans56.927.3177.5-139.735.2000115.3Q58 K59 I205Q58-D207 CarbonylContact C-O 3.54Å; Q58-D207 WeakPolarHBondContact CA-O 3.2Å; Q58-D207 WeakPolarHBondContact CG-O 3.34Å; Q58-D207 PolarHBondContact NE2-OD2 3.24Å; K59-D207 PolarHBondContact N-O 3.34Å; I205-D207 PolarHBondContact O-N 3.08Å
208V96.5Very high94.2Very high5 Ų556.4 Ų56.43%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-118.3146.8174.4175.90000109.6V56 L70 Q74 I78 I205 N206V56-V208 HydrophobicContact CG1-CG1 3.41Å; V56-V208 VanDerWaalsContact CG1-CG1 3.41Å; L70-V208 HydrophobicContact CD2-CG2 3.81Å; Q74-V208 HydrophobicContact CB-CG2 4.31Å; Q74-V208 HydrophobicContact CG-CG2 4.23Å; I78-V208 HydrophobicContact CD1-CG1 4.1Å; I78-V208 HydrophobicContact CD1-CG2 4.19Å; I78-V208 HydrophobicContact CG1-CG1 4.43Å; I205-V208 HydrophobicContact CB-CB 4.02Å; I205-V208 HydrophobicContact CB-CG2 4.05Å; I205-V208 HydrophobicContact CG2-CB 4.11Å; I205-V208 HydrophobicContact CG2-CG2 3.56Å; I205-V208 PolarHBondContact O-N 3.47Å; N206-V208 PolarHBondContact O-N 2.82Å
209Q95.5Very high94.3Very high35 Ų3556 Ų5616%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-144.9153.5172.461.9-179.6-5.500111.4V57 Q58 K59 M60 V211V57-Q209 HydrophobicContact CG2-CG 4.01Å; V57-Q209 PolarHBondContact N-O 3.31Å; V57-Q209 PolarHBondContact O-N 2.97Å; Q58-Q209 PolarHBondContact O-NE2 2.72Å; K59-Q209 HydrophobicContact CB-CG 4.36Å; M60-Q209 PolarHBondContact O-NE2 3.4Å; M60-Q209 VanDerWaalsContact O-NE2 3.08Å; Q209-V211 HydrophobicContact CG-CG1 3.77Å
210V96.1Very high94.3Very high26 Ų2653 Ų5316%0.15827%0.271CS..EExtended strand (participates in β ladder)trans-95127.9167.1-173.60000108.4E54 Y55 V56 L194 R199 L202 N203E54-V210 HydrophobicContact CB-CG1 3.96Å; E54-V210 HydrophobicContact CG-CG1 4.26Å; Y55-V210 CarbonylContact O-C 3.54Å; Y55-V210 WeakPolarHBondContact O-CA 3.46Å; V56-V210 HydrophobicContact CG2-CG2 4.38Å; L194-V210 HydrophobicContact CD1-CG1 3.72Å; L194-V210 HydrophobicContact CD1-CG2 4.11Å; R199-V210 HydrophobicContact CG-CG2 4.46Å; L202-V210 HydrophobicContact CB-CG2 3.93Å; L202-V210 HydrophobicContact CD1-CG2 3.82Å; N203-V210 PolarHBondContact OD1-N 3.29Å
211V95.5Very high94.4Very high9 Ų953 Ų536%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-127.3153.7-177.7-620000110.4E54 Y55 V57 P63 Q209 L216E54-V211 CarbonylContact C-O 3.54Å; E54-V211 VanDerWaalsContact CA-O 3.29Å; E54-V211 WeakPolarHBondContact CA-O 3.41Å; Y55-V211 PolarHBondContact N-O 3.32Å; Y55-V211 WeakPolarHBondContact O-CG2 3.44Å; Y55-V211 PolarHBondContact O-N 2.83Å; V57-V211 HydrophobicContact CG1-CG2 4.46Å; V57-V211 HydrophobicContact CG2-CG1 4.02Å; V57-V211 HydrophobicContact CG2-CG2 3.68Å; P63-V211 HydrophobicContact CB-CB 4.47Å; P63-V211 HydrophobicContact CB-CG1 3.99Å; P63-V211 HydrophobicContact CB-CG2 4.39Å; P63-V211 HydrophobicContact CG-CB 4.48Å; P63-V211 HydrophobicContact CG-CG1 3.72Å; Q209-V211 HydrophobicContact CG-CG1 3.77Å; V211-L216 HydrophobicContact CG2-CD1 3.96Å; V211-L216 HydrophobicContact CG2-CD2 3.84Å; V211-L216 HydrophobicContact CG2-CG 3.68Å
212S94.9Very high94.3Very high39 Ų3951 Ų5127%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-78.9158.1175.472.70000111.7D53 K214 D215 L216D53-S212 WeakPolarHBondContact O-CA 3.33Å; S212-K214 PolarHBondContact O-N 2.85Å; S212-D215 PolarHBondContact N-OD2 3.2Å; S212-D215 PolarHBondContact O-N 3.42Å; S212-D215 VanDerWaalsContact O-N 3.16Å; S212-D215 PolarHBondContact OG-N 3.26Å; S212-D215 PolarHBondContact OG-OD2 2.94Å; S212-L216 PolarHBondContact O-N 2.76Å
213E94.3Very high94.3Very high56 Ų5653.3 Ų53.326%0.26229%0.285SS..Hα-helixtrans-54.9-39.3171-168.2179.8132.200112.1F47 D53 Y55 D215 L216 T217F47-E213 HydrophobicContact CB-CG 4.09Å; F47-E213 HydrophobicContact CD1-CG 4.36Å; F47-E213 HydrophobicContact CG-CG 4.25Å; D53-E213 PolarHBondContact O-N 3.31Å; Y55-E213 HydrophobicContact CD2-CB 4.43Å; Y55-E213 HydrophobicContact CE2-CB 3.76Å; Y55-E213 HydrophobicContact CE2-CG 3.97Å; E213-D215 VanDerWaalsContact C-N 3.31Å; E213-D215 PolarHBondContact O-N 2.97Å; E213-L216 PolarHBondContact O-N 3.1Å; E213-T217 HydrophobicContact CG-CG2 4.02Å; E213-T217 WeakPolarHBondContact O-CB 3.17Å; E213-T217 WeakPolarHBondContact O-CG2 3.29Å; E213-T217 PolarHBondContact O-N 3.27Å; E213-T217 PolarHBondContact O-OG1 2.82Å
214K92.8Very high94.3Very high171 Ų17154.1 Ų54.174%0.74329%0.286SS*.Hα-helixtrans-64.2-36.3179.9-170.8178.2177.5-178.10112.1S212 T217 G218S212-K214 PolarHBondContact O-N 2.85Å; K214-T217 WeakPolarHBondContact CA-OG1 3.24Å; K214-T217 PolarHBondContact O-OG1 3.36Å; K214-G218 WeakPolarHBondContact O-CA 3.5Å; K214-G218 PolarHBondContact O-N 3.15Å
215D94.2Very high94.3Very high79 Ų7949.5 Ų49.542%0.42228%0.279SS..Hα-helixtrans-69.1-39.6176.2-61.3-44.3000110.7S212 E213 N219S212-D215 PolarHBondContact N-OD2 3.2Å; S212-D215 PolarHBondContact O-N 3.42Å; S212-D215 VanDerWaalsContact O-N 3.16Å; S212-D215 PolarHBondContact OG-N 3.26Å; S212-D215 PolarHBondContact OG-OD2 2.94Å; E213-D215 VanDerWaalsContact C-N 3.31Å; E213-D215 PolarHBondContact O-N 2.97Å; D215-N219 PolarHBondContact O-N 3.08Å; D215-N219 PolarHBondContact O-ND2 3.06Å
216L95.2Very high94.2Very high1 Ų151.5 Ų51.51%0.00529%0.287CS..Hα-helixtrans-68.6-55.6176.7-71.5177.7000112.3F47 Y55 V57 P63 I65 V211 S212 E213 G218 N219 I220F47-L216 HydrophobicContact CE1-CB 4.31Å; F47-L216 HydrophobicContact CE1-CD1 3.97Å; F47-L216 HydrophobicContact CZ-CB 4.18Å; F47-L216 HydrophobicContact CZ-CD1 4.49Å; Y55-L216 VanDerWaalsContact CB-CD1 3.45Å; Y55-L216 HydrophobicContact CD1-CD1 3.89Å; Y55-L216 HydrophobicContact CD2-CD1 3.64Å; Y55-L216 HydrophobicContact CE2-CD1 4.47Å; Y55-L216 HydrophobicContact CG-CD1 3.36Å; V57-L216 HydrophobicContact CG1-CD2 4.38Å; P63-L216 HydrophobicContact CB-CD2 3.77Å; I65-L216 HydrophobicContact CG2-CD1 3.68Å; I65-L216 HydrophobicContact CG2-CD2 3.85Å; I65-L216 HydrophobicContact CG2-CG 4.36Å; V211-L216 HydrophobicContact CG2-CD1 3.96Å; V211-L216 HydrophobicContact CG2-CD2 3.84Å; V211-L216 HydrophobicContact CG2-CG 3.68Å; S212-L216 PolarHBondContact O-N 2.76Å; E213-L216 PolarHBondContact O-N 3.1Å; L216-G218 PolarHBondContact O-N 2.78Å; L216-N219 PolarHBondContact O-N 3.13Å; L216-I220 PolarHBondContact O-N 3.16Å
217T93.9Very high94.1Very high13 Ų1346.4 Ų46.48%0.0826%0.259CS..Hα-helixtrans-58.9-37.3178.753.70000111.2I44 F47 E213 K214 N219 I220 Y223I44-T217 HydrophobicContact CB-CG2 3.97Å; I44-T217 HydrophobicContact CG2-CG2 3.66Å; F47-T217 HydrophobicContact CD2-CG2 3.63Å; F47-T217 HydrophobicContact CE2-CG2 3.87Å; F47-T217 HydrophobicContact CG-CG2 4.21Å; E213-T217 HydrophobicContact CG-CG2 4.02Å; E213-T217 WeakPolarHBondContact O-CB 3.17Å; E213-T217 WeakPolarHBondContact O-CG2 3.29Å; E213-T217 PolarHBondContact O-N 3.27Å; E213-T217 PolarHBondContact O-OG1 2.82Å; K214-T217 WeakPolarHBondContact CA-OG1 3.24Å; K214-T217 PolarHBondContact O-OG1 3.36Å; T217-N219 PolarHBondContact O-N 2.93Å; T217-I220 PolarHBondContact O-N 3.35Å; T217-Y223 VanDerWaalsContact O-CD1 3.3Å; T217-Y223 WeakPolarHBondContact O-CD1 3.44Å
218G93Very high93.8Very high19 Ų1946.5 Ų46.520%0.19627%0.269CS..Hα-helixtrans-64.8-21.1175.300000114.6K214 L216 Q224K214-G218 WeakPolarHBondContact O-CA 3.5Å; K214-G218 PolarHBondContact O-N 3.15Å; L216-G218 PolarHBondContact O-N 2.78Å; G218-Q224 VanDerWaalsContact CA-NE2 3.34Å; G218-Q224 WeakPolarHBondContact O-CG 3.37Å; G218-Q224 PolarHBondContact O-NE2 2.82Å
219N94.5Very high93.8Very high44 Ų4449.8 Ų49.824%0.23529%0.29CS..THydrogen-bonded Turntrans-102.95.6178.8-74.9-56000113.5P63 Q64 D215 L216 T217 A221P63-N219 WeakPolarHBondContact CD-ND2 3.45Å; P63-N219 VanDerWaalsContact O-CB 3.24Å; P63-N219 WeakPolarHBondContact O-CB 3.49Å; Q64-N219 HydrophobicContact CG-CB 4.1Å; Q64-N219 PolarHBondContact NE2-O 3.44Å; D215-N219 PolarHBondContact O-N 3.08Å; D215-N219 PolarHBondContact O-ND2 3.06Å; L216-N219 PolarHBondContact O-N 3.13Å; T217-N219 PolarHBondContact O-N 2.93Å; N219-A221 PolarHBondContact O-N 3.16Å
220I95.1Very high93.6Very high2 Ų249 Ų491%0.0129%0.287CS..  trans-73.3116169.1-57.7173.4000108.2I44 F47 Y165 A166 L216 T217 S222 Y223 Q224I44-I220 HydrophobicContact CG2-CD1 4.11Å; F47-I220 HydrophobicContact CE2-CD1 3.98Å; Y165-I220 HydrophobicContact CD2-CD1 4.23Å; Y165-I220 HydrophobicContact CE2-CD1 3.53Å; Y165-I220 HydrophobicContact CE2-CG1 4.06Å; A166-I220 HydrophobicContact CB-CG2 3.91Å; L216-I220 PolarHBondContact O-N 3.16Å; T217-I220 PolarHBondContact O-N 3.35Å; I220-S222 WeakPolarHBondContact CG2-OG 3.47Å; I220-S222 PolarHBondContact O-N 3.02Å; I220-Y223 WeakPolarHBondContact O-CB 3.14Å; I220-Y223 PolarHBondContact O-N 3.11Å; I220-Y223 VanDerWaalsContact O-N 3.15Å; I220-Q224 PolarHBondContact O-N 3.29Å
221A93.1Very high93.4Very high72 Ų7251.9 Ų51.960%0.59530%0.302SS*.Hα-helixtrans-59.4-43.6-172.900000112.9N219 Q224 A225N219-A221 PolarHBondContact O-N 3.16Å; A221-Q224 PolarHBondContact O-N 3.24Å; A221-A225 VanDerWaalsContact O-CB 3.26Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 2.89Å
222S93.5Very high93.4Very high33 Ų3358 Ų5823%0.23133%0.331CS..Hα-helixtrans-65.5-40.8176.745.20000112.1N43 I220 Q224 A225 E226N43-S222 VanDerWaalsContact OD1-CB 3.25Å; N43-S222 WeakPolarHBondContact OD1-CB 3.25Å; N43-S222 PolarHBondContact OD1-OG 3.36Å; I220-S222 WeakPolarHBondContact CG2-OG 3.47Å; I220-S222 PolarHBondContact O-N 3.02Å; S222-Q224 PolarHBondContact O-N 2.8Å; S222-A225 PolarHBondContact O-N 3.42Å; S222-E226 WeakPolarHBondContact O-CB 3.45Å; S222-E226 VanDerWaalsContact O-CG 3.28Å; S222-E226 WeakPolarHBondContact O-CG 3.34Å; S222-E226 PolarHBondContact O-N 2.99Å
223Y94Very high93.4Very high50 Ų5060.2 Ų60.220%0.19634%0.339CS..Hα-helixtrans-60.3-49.8176.1-172.4-108.3000111.2N43 I44 T217 I220 A225 E226 Q227N43-Y223 HydrophobicContact CB-CD2 3.77Å; N43-Y223 HydrophobicContact CB-CG 4.27Å; N43-Y223 PolarHBondContact OD1-N 3.32Å; I44-Y223 HydrophobicContact CD1-CE2 4.2Å; I44-Y223 HydrophobicContact CG2-CD2 3.82Å; I44-Y223 HydrophobicContact CG2-CE2 3.9Å; I44-Y223 HydrophobicContact CG2-CG 4.21Å; T217-Y223 VanDerWaalsContact O-CD1 3.3Å; T217-Y223 WeakPolarHBondContact O-CD1 3.44Å; I220-Y223 WeakPolarHBondContact O-CB 3.14Å; I220-Y223 PolarHBondContact O-N 3.11Å; I220-Y223 VanDerWaalsContact O-N 3.15Å; Y223-A225 PolarHBondContact O-N 3.47Å; Y223-E226 PolarHBondContact O-N 3.31Å; Y223-Q227 HydrophobicContact CD1-CG 3.97Å; Y223-Q227 HydrophobicContact CD2-CG 3.82Å; Y223-Q227 HydrophobicContact CE1-CG 3.69Å; Y223-Q227 HydrophobicContact CE2-CG 3.57Å; Y223-Q227 VanDerWaalsContact CE2-NE2 3.32Å; Y223-Q227 HydrophobicContact CG-CG 4.03Å; Y223-Q227 VanDerWaalsContact CZ-CG 3.49Å; Y223-Q227 WeakPolarHBondContact O-CB 3.27Å; Y223-Q227 VanDerWaalsContact O-CG 3.24Å; Y223-Q227 WeakPolarHBondContact O-CG 3.07Å; Y223-Q227 PolarHBondContact O-N 3.44Å
224Q92Very high93.3Very high101 Ų10158.7 Ų58.747%0.47233%0.332SS..Hα-helixtrans-61.7-43.3177.9-73.5-60.9-34.900112.7G218 I220 A221 S222 E226G218-Q224 VanDerWaalsContact CA-NE2 3.34Å; G218-Q224 WeakPolarHBondContact O-CG 3.37Å; G218-Q224 PolarHBondContact O-NE2 2.82Å; I220-Q224 PolarHBondContact O-N 3.29Å; A221-Q224 PolarHBondContact O-N 3.24Å; S222-Q224 PolarHBondContact O-N 2.8Å; Q224-E226 VanDerWaalsContact C-N 3.26Å; Q224-E226 PolarHBondContact O-N 2.9Å
225A92.6Very high93.3Very high70 Ų7055.3 Ų55.358%0.57933%0.325SS*.Hα-helixtrans-63.8-32.5179.900000112.4A221 S222 Y223 P229A221-A225 VanDerWaalsContact O-CB 3.26Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 2.89Å; S222-A225 PolarHBondContact O-N 3.42Å; Y223-A225 PolarHBondContact O-N 3.47Å; A225-P229 WeakPolarHBondContact O-CD 3.04Å; A225-P229 WeakPolarHBondContact O-CG 3.4Å
226E93.4Very high93.3Very high55 Ų5554.1 Ų54.126%0.25732%0.323SS..Hα-helixtrans-90.3-40.1-177-70.2179.8-179.900113.5N43 H167 S222 Y223 Q224 A228 P229 L230N43-E226 PolarHBondContact ND2-OE2 2.85Å; H167-E226 IonicContact CD2-OE1 2.94Å; H167-E226 IonicContact CE1-OE1 2.64Å; H167-E226 IonicContact CE1-OE2 3.77Å; H167-E226 IonicContact NE2-OE1 2.82Å; H167-E226 PolarHBondContact NE2-OE1 2.77Å; H167-E226 VanDerWaalsContact NE2-OE1 3.08Å; H167-E226 IonicContact NE2-OE2 3.29Å; H167-E226 PolarHBondContact NE2-OE2 3.22Å; H167-E226 VanDerWaalsContact NE2-OE2 3.12Å; S222-E226 WeakPolarHBondContact O-CB 3.45Å; S222-E226 VanDerWaalsContact O-CG 3.28Å; S222-E226 WeakPolarHBondContact O-CG 3.34Å; S222-E226 PolarHBondContact O-N 2.99Å; Y223-E226 PolarHBondContact O-N 3.31Å; Q224-E226 VanDerWaalsContact C-N 3.26Å; Q224-E226 PolarHBondContact O-N 2.9Å; E226-A228 PolarHBondContact O-N 3.13Å; E226-P229 WeakPolarHBondContact O-CD 3.04Å; E226-L230 HydrophobicContact CB-CD1 4.11Å; E226-L230 VanDerWaalsContact O-CB 3.27Å; E226-L230 WeakPolarHBondContact O-CB 3.37Å; E226-L230 WeakPolarHBondContact O-CD1 3.45Å; E226-L230 WeakPolarHBondContact O-CG 3.41Å; E226-L230 PolarHBondContact O-N 2.91Å
227Q90.9Very high93.2Very high31 Ų3155.4 Ų55.415%0.14533%0.33CS..Hα-helixtrans-62.4-40.2-172.4-74.2-48.3-50.500113.1Y223 N231Y223-Q227 HydrophobicContact CD1-CG 3.97Å; Y223-Q227 HydrophobicContact CD2-CG 3.82Å; Y223-Q227 HydrophobicContact CE1-CG 3.69Å; Y223-Q227 HydrophobicContact CE2-CG 3.57Å; Y223-Q227 VanDerWaalsContact CE2-NE2 3.32Å; Y223-Q227 HydrophobicContact CG-CG 4.03Å; Y223-Q227 VanDerWaalsContact CZ-CG 3.49Å; Y223-Q227 WeakPolarHBondContact O-CB 3.27Å; Y223-Q227 VanDerWaalsContact O-CG 3.24Å; Y223-Q227 WeakPolarHBondContact O-CG 3.07Å; Y223-Q227 PolarHBondContact O-N 3.44Å; Q227-N231 VanDerWaalsContact O-CB 3.25Å; Q227-N231 WeakPolarHBondContact O-CB 3.42Å; Q227-N231 VanDerWaalsContact O-CG 3.23Å; Q227-N231 PolarHBondContact O-N 3.2Å; Q227-N231 PolarHBondContact O-ND2 2.95Å; Q227-N231 VanDerWaalsContact O-ND2 3.11Å
228A89.4Confident93.1Very high65 Ų6555.8 Ų55.854%0.53733%0.33SS..Hα-helixtrans-65.1-52.5-17900000112.4E226 L230 N231 M232E226-A228 PolarHBondContact O-N 3.13Å; A228-L230 PolarHBondContact O-N 3.09Å; A228-N231 PolarHBondContact O-N 3.18Å; A228-M232 WeakPolarHBondContact O-CB 3.31Å; A228-M232 PolarHBondContact O-N 2.99Å
229P95.1Very high93.1Very high74 Ų7457.3 Ų57.348%0.48134%0.341SS..Hα-helixtrans-57.8-43173-26.934.5000113.8A225 E226 M232 M233A225-P229 WeakPolarHBondContact O-CD 3.04Å; A225-P229 WeakPolarHBondContact O-CG 3.4Å; E226-P229 WeakPolarHBondContact O-CD 3.04Å; P229-M232 PolarHBondContact O-N 3.06Å; P229-M233 WeakPolarHBondContact O-CB 3.41Å; P229-M233 PolarHBondContact O-N 2.94Å
230L92.6Very high93.1Very high20 Ų2059.7 Ų59.711%0.10535%0.353CS..Hα-helixtrans-63-46.1180-74175000111.9A36 L39 E226 A228 M232 M233 I234A36-L230 HydrophobicContact CB-CB 3.95Å; A36-L230 HydrophobicContact CB-CD1 4.03Å; A36-L230 HydrophobicContact CB-CD2 3.76Å; A36-L230 HydrophobicContact CB-CG 4.12Å; L39-L230 HydrophobicContact CB-CD1 4.21Å; L39-L230 HydrophobicContact CD1-CD1 4.34Å; L39-L230 HydrophobicContact CD1-CD2 4.37Å; E226-L230 HydrophobicContact CB-CD1 4.11Å; E226-L230 VanDerWaalsContact O-CB 3.27Å; E226-L230 WeakPolarHBondContact O-CB 3.37Å; E226-L230 WeakPolarHBondContact O-CD1 3.45Å; E226-L230 WeakPolarHBondContact O-CG 3.41Å; E226-L230 PolarHBondContact O-N 2.91Å; A228-L230 PolarHBondContact O-N 3.09Å; L230-M232 VanDerWaalsContact C-N 3.33Å; L230-M232 PolarHBondContact O-N 2.64Å; L230-M233 HydrophobicContact CD2-CE 4.27Å; L230-M233 WeakPolarHBondContact O-CB 3.31Å; L230-M233 PolarHBondContact O-N 3.01Å; L230-I234 WeakPolarHBondContact O-CG1 3.24Å; L230-I234 PolarHBondContact O-N 3.5Å
231N91.8Very high92.9Very high85 Ų8559.7 Ų59.746%0.45535%0.353SS..Hα-helixtrans-64.1-39.4176.2-75-32.4000111.7Q227 A228 M233 I234 V235Q227-N231 VanDerWaalsContact O-CB 3.25Å; Q227-N231 WeakPolarHBondContact O-CB 3.42Å; Q227-N231 VanDerWaalsContact O-CG 3.23Å; Q227-N231 PolarHBondContact O-N 3.2Å; Q227-N231 PolarHBondContact O-ND2 2.95Å; Q227-N231 VanDerWaalsContact O-ND2 3.11Å; A228-N231 PolarHBondContact O-N 3.18Å; N231-M233 VanDerWaalsContact C-N 3.3Å; N231-M233 PolarHBondContact O-N 3.04Å; N231-I234 PolarHBondContact O-N 3.24Å; N231-V235 WeakPolarHBondContact O-CB 3.37Å; N231-V235 VanDerWaalsContact O-CG2 3.3Å; N231-V235 WeakPolarHBondContact O-CG2 3.42Å; N231-V235 PolarHBondContact O-N 3.23Å
232M94.9Very high92.9Very high137 Ų13757.8 Ų57.868%0.67534%0.337SS*.Hα-helixtrans-63-38.9175.7-166.1173.1-169.700111.7A228 P229 L230 S236A228-M232 WeakPolarHBondContact O-CB 3.31Å; A228-M232 PolarHBondContact O-N 2.99Å; P229-M232 PolarHBondContact O-N 3.06Å; L230-M232 VanDerWaalsContact C-N 3.33Å; L230-M232 PolarHBondContact O-N 2.64Å; M232-S236 VanDerWaalsContact O-CB 3.27Å; M232-S236 WeakPolarHBondContact O-CB 3.42Å; M232-S236 PolarHBondContact O-N 2.71Å; M232-S236 PolarHBondContact O-OG 2.74Å
233M94.8Very high92.8Very high87 Ų8761.9 Ų61.943%0.42936%0.355SS..Hα-helixtrans-63.6-46.7174.6-166.4-171.9-41.500111.5I32 P229 L230 N231 S236 L237I32-M233 HydrophobicContact CG2-CG 4.21Å; I32-M233 HydrophobicContact CG2-SD 3.5Å; I32-M233 WeakPolarHBondContact CG2-SD 3.46Å; P229-M233 WeakPolarHBondContact O-CB 3.41Å; P229-M233 PolarHBondContact O-N 2.94Å; L230-M233 HydrophobicContact CD2-CE 4.27Å; L230-M233 WeakPolarHBondContact O-CB 3.31Å; L230-M233 PolarHBondContact O-N 3.01Å; N231-M233 VanDerWaalsContact C-N 3.3Å; N231-M233 PolarHBondContact O-N 3.04Å; M233-S236 PolarHBondContact O-N 2.83Å; M233-L237 HydrophobicContact CG-CD1 4.44Å; M233-L237 WeakPolarHBondContact O-CB 3.48Å; M233-L237 WeakPolarHBondContact O-CG 3.32Å; M233-L237 PolarHBondContact O-N 2.93Å
234I92Very high92.7Very high24 Ų2461.6 Ų61.612%0.12336%0.358CS..Hα-helixtrans-61.8-47.5178.2-67.5165.6000110.9A36 L230 N231 S236 L237 F238A36-I234 HydrophobicContact CB-CD1 3.82Å; L230-I234 WeakPolarHBondContact O-CG1 3.24Å; L230-I234 PolarHBondContact O-N 3.5Å; N231-I234 PolarHBondContact O-N 3.24Å; I234-S236 VanDerWaalsContact C-N 3.31Å; I234-S236 PolarHBondContact O-N 3.02Å; I234-L237 PolarHBondContact O-N 3.43Å; I234-F238 HydrophobicContact CG2-CD2 3.86Å; I234-F238 HydrophobicContact CG2-CE2 3.78Å; I234-F238 WeakPolarHBondContact O-CD2 3.25Å; I234-F238 PolarHBondContact O-N 3.48Å
235V93.7Very high92.7Very high100 Ų10056.9 Ų56.961%0.60634%0.336SS*.Hα-helixtrans-60.6-42.9177.4170.60000110.8N231 L237 F238 A239N231-V235 WeakPolarHBondContact O-CB 3.37Å; N231-V235 VanDerWaalsContact O-CG2 3.3Å; N231-V235 WeakPolarHBondContact O-CG2 3.42Å; N231-V235 PolarHBondContact O-N 3.23Å; V235-L237 PolarHBondContact O-N 2.92Å; V235-F238 PolarHBondContact O-N 3.09Å; V235-A239 WeakPolarHBondContact O-CB 3.3Å; V235-A239 PolarHBondContact O-N 3.24Å
236S94.8Very high92.5Very high53 Ų5354.6 Ų54.637%0.37132%0.316SS..Hα-helixtrans-64.2-40.6177.6-59.20000111.9M232 M233 I234 F238 A239 I240M232-S236 VanDerWaalsContact O-CB 3.27Å; M232-S236 WeakPolarHBondContact O-CB 3.42Å; M232-S236 PolarHBondContact O-N 2.71Å; M232-S236 PolarHBondContact O-OG 2.74Å; M233-S236 PolarHBondContact O-N 2.83Å; I234-S236 VanDerWaalsContact C-N 3.31Å; I234-S236 PolarHBondContact O-N 3.02Å; S236-F238 VanDerWaalsContact C-N 3.34Å; S236-F238 PolarHBondContact O-N 3.27Å; S236-A239 PolarHBondContact O-N 2.78Å; S236-I240 WeakPolarHBondContact O-CB 3.49Å; S236-I240 VanDerWaalsContact O-CG1 3.26Å; S236-I240 WeakPolarHBondContact O-CG1 3.35Å; S236-I240 PolarHBondContact O-N 3.05Å
237L92.9Very high92.3Very high29 Ų2954.4 Ų54.415%0.15232%0.324CS..Hα-helixtrans-61.6-41.7175.6-80.3170.1000111.9V29 I32 M233 I234 V235 T241V29-L237 HydrophobicContact CG2-CB 3.97Å; I32-L237 HydrophobicContact CB-CD1 3.73Å; I32-L237 HydrophobicContact CG1-CD1 3.98Å; I32-L237 HydrophobicContact CG2-CD1 3.61Å; M233-L237 HydrophobicContact CG-CD1 4.44Å; M233-L237 WeakPolarHBondContact O-CB 3.48Å; M233-L237 WeakPolarHBondContact O-CG 3.32Å; M233-L237 PolarHBondContact O-N 2.93Å; I234-L237 PolarHBondContact O-N 3.43Å; V235-L237 PolarHBondContact O-N 2.92Å; L237-T241 WeakPolarHBondContact O-CB 3.39Å; L237-T241 PolarHBondContact O-N 3.16Å; L237-T241 PolarHBondContact O-OG1 3.48Å
238F91.1Very high92.1Very high21 Ų2156.3 Ų56.39%0.09233%0.332CS..Hα-helixtrans-67.7-38.6174-81-63.8000112.6V29 I234 V235 S236 T241 A242 M319 I322 F323V29-F238 HydrophobicContact CG1-CD1 4.3Å; V29-F238 HydrophobicContact CG1-CD2 4.35Å; V29-F238 HydrophobicContact CG1-CE1 3.72Å; V29-F238 HydrophobicContact CG1-CE2 3.76Å; V29-F238 HydrophobicContact CG1-CZ 3.42Å; V29-F238 VanDerWaalsContact CG1-CZ 3.42Å; I234-F238 HydrophobicContact CG2-CD2 3.86Å; I234-F238 HydrophobicContact CG2-CE2 3.78Å; I234-F238 WeakPolarHBondContact O-CD2 3.25Å; I234-F238 PolarHBondContact O-N 3.48Å; V235-F238 PolarHBondContact O-N 3.09Å; S236-F238 VanDerWaalsContact C-N 3.34Å; S236-F238 PolarHBondContact O-N 3.27Å; F238-T241 PolarHBondContact O-N 2.63Å; F238-A242 WeakPolarHBondContact O-CB 3.38Å; F238-A242 PolarHBondContact O-N 2.95Å; F238-M319 HydrophobicContact CZ-CB 4.21Å; F238-M319 HydrophobicContact CZ-CG 4.04Å; F238-I322 HydrophobicContact CD1-CB 4.27Å; F238-I322 HydrophobicContact CD1-CG2 3.32Å; F238-I322 HydrophobicContact CD2-CG2 4.31Å; F238-I322 HydrophobicContact CE1-CB 3.77Å; F238-I322 HydrophobicContact CE1-CG2 3.34Å; F238-I322 HydrophobicContact CE2-CD1 4.01Å; F238-I322 HydrophobicContact CE2-CG2 4.33Å; F238-I322 HydrophobicContact CG-CG2 3.83Å; F238-I322 HydrophobicContact CZ-CB 4.01Å; F238-I322 HydrophobicContact CZ-CD1 3.98Å; F238-I322 HydrophobicContact CZ-CG2 3.87Å; F238-F323 AromaticContact CE1-CD2 3.95Å; F238-F323 HydrophobicContact CE1-CD2 3.95Å; F238-F323 AromaticContact CE1-CE2 3.92Å; F238-F323 HydrophobicContact CE1-CE2 3.92Å
239A93.3Very high91.9Very high50 Ų5053.2 Ų53.241%0.41331%0.306SS..Hα-helixtrans-62.7-47.5175.500000111.8V235 S236 T241 A242 I243V235-A239 WeakPolarHBondContact O-CB 3.3Å; V235-A239 PolarHBondContact O-N 3.24Å; S236-A239 PolarHBondContact O-N 2.78Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 3.41Å; A239-A242 WeakPolarHBondContact O-CB 3.38Å; A239-A242 PolarHBondContact O-N 2.63Å; A239-I243 WeakPolarHBondContact O-CG1 3.37Å; A239-I243 PolarHBondContact O-N 2.89Å
240I93.4Very high91.5Very high94 Ų9453.7 Ų53.748%0.48230%0.299SS..Hα-helixtrans-61.2-45.9175.8-67.7164.7000109.9S236 A242 I243 V244S236-I240 WeakPolarHBondContact O-CB 3.49Å; S236-I240 VanDerWaalsContact O-CG1 3.26Å; S236-I240 WeakPolarHBondContact O-CG1 3.35Å; S236-I240 PolarHBondContact O-N 3.05Å; I240-A242 VanDerWaalsContact C-N 3.27Å; I240-A242 PolarHBondContact O-N 2.85Å; I240-I243 PolarHBondContact O-N 3.04Å; I240-V244 HydrophobicContact CG2-CG2 4.11Å; I240-V244 WeakPolarHBondContact O-CB 3.34Å; I240-V244 VanDerWaalsContact O-CG2 3.25Å; I240-V244 WeakPolarHBondContact O-CG2 3.15Å; I240-V244 PolarHBondContact O-N 2.73Å
241T92.2Very high91.1Very high3 Ų355.9 Ų55.92%0.01831%0.313CS..Hα-helixtrans-56.8-43.1176.2-63.90000111.2L25 L237 F238 A239 V244 L245 F323L25-T241 HydrophobicContact CB-CG2 4.41Å; L25-T241 HydrophobicContact CD1-CG2 4.27Å; L237-T241 WeakPolarHBondContact O-CB 3.39Å; L237-T241 PolarHBondContact O-N 3.16Å; L237-T241 PolarHBondContact O-OG1 3.48Å; F238-T241 PolarHBondContact O-N 2.63Å; A239-T241 VanDerWaalsContact C-N 3.34Å; A239-T241 PolarHBondContact O-N 3.41Å; T241-V244 PolarHBondContact O-N 3.41Å; T241-L245 HydrophobicContact CG2-CD1 3.82Å; T241-L245 HydrophobicContact CG2-CG 4.16Å; T241-L245 VanDerWaalsContact O-CB 3.32Å; T241-L245 WeakPolarHBondContact O-CB 3.33Å; T241-L245 VanDerWaalsContact O-CG 3.25Å; T241-L245 WeakPolarHBondContact O-CG 3.35Å; T241-L245 PolarHBondContact O-N 3.02Å; T241-F323 HydrophobicContact CG2-CD1 4.16Å; T241-F323 HydrophobicContact CG2-CE1 3.39Å; T241-F323 HydrophobicContact CG2-CZ 3.86Å
242A91.7Very high90.6Very high31 Ų3151.9 Ų51.926%0.25629%0.292SS..Hα-helixtrans-63.1-44.3177.900000113.1F238 A239 I240 S246 V326F238-A242 WeakPolarHBondContact O-CB 3.38Å; F238-A242 PolarHBondContact O-N 2.95Å; A239-A242 WeakPolarHBondContact O-CB 3.38Å; A239-A242 PolarHBondContact O-N 2.63Å; I240-A242 VanDerWaalsContact C-N 3.27Å; I240-A242 PolarHBondContact O-N 2.85Å; A242-S246 WeakPolarHBondContact O-CB 3.25Å; A242-S246 PolarHBondContact O-N 3.04Å; A242-V326 HydrophobicContact CB-CB 4.46Å; A242-V326 HydrophobicContact CB-CG1 3.46Å; A242-V326 VanDerWaalsContact CB-CG1 3.46Å; A242-V326 HydrophobicContact CB-CG2 4.22Å
243I92.6Very high90Very high120 Ų12045.5 Ų45.562%0.61526%0.26SS*.Hα-helixtrans-62.9-48.8177.3-66.6166.1000110.2A239 I240 S246 A247A239-I243 WeakPolarHBondContact O-CG1 3.37Å; A239-I243 PolarHBondContact O-N 2.89Å; I240-I243 PolarHBondContact O-N 3.04Å; I243-S246 PolarHBondContact O-N 2.85Å; I243-A247 WeakPolarHBondContact O-CB 3.28Å; I243-A247 PolarHBondContact O-N 2.8Å
244V92.3Very high89.4Confident43 Ų4344.4 Ų44.426%0.26126%0.256SS..Hα-helixtrans-63.7-48.8-177.4173.60000110.7I21 L25 I240 T241 S246 A247 F248I21-V244 HydrophobicContact CG2-CG1 4.37Å; L25-V244 HydrophobicContact CD1-CB 4.26Å; L25-V244 HydrophobicContact CD1-CG1 3.87Å; I240-V244 HydrophobicContact CG2-CG2 4.11Å; I240-V244 WeakPolarHBondContact O-CB 3.34Å; I240-V244 VanDerWaalsContact O-CG2 3.25Å; I240-V244 WeakPolarHBondContact O-CG2 3.15Å; I240-V244 PolarHBondContact O-N 2.73Å; T241-V244 PolarHBondContact O-N 3.41Å; V244-S246 PolarHBondContact O-N 2.87Å; V244-A247 PolarHBondContact O-N 2.89Å; V244-F248 HydrophobicContact CG1-CD2 3.6Å; V244-F248 HydrophobicContact CG1-CE2 3.54Å; V244-F248 WeakPolarHBondContact O-CD2 3.32Å; V244-F248 PolarHBondContact O-N 3.1Å
245L90.3Very high88.9Confident2 Ų247.7 Ų47.71%0.0127%0.271CS..Hα-helixtrans-63-41.4177.9-68.6-175.6000112I22 L25 T241 A247 F248 F249 F323 V326I22-L245 HydrophobicContact CD1-CD2 4.46Å; I22-L245 HydrophobicContact CG1-CD2 3.53Å; L25-L245 HydrophobicContact CD1-CD2 4.14Å; L25-L245 HydrophobicContact CD1-CG 4.35Å; T241-L245 HydrophobicContact CG2-CD1 3.82Å; T241-L245 HydrophobicContact CG2-CG 4.16Å; T241-L245 VanDerWaalsContact O-CB 3.32Å; T241-L245 WeakPolarHBondContact O-CB 3.33Å; T241-L245 VanDerWaalsContact O-CG 3.25Å; T241-L245 WeakPolarHBondContact O-CG 3.35Å; T241-L245 PolarHBondContact O-N 3.02Å; L245-A247 PolarHBondContact O-N 3.36Å; L245-F248 PolarHBondContact O-N 2.87Å; L245-F249 HydrophobicContact CB-CD2 4.41Å; L245-F249 HydrophobicContact CB-CE2 3.93Å; L245-F249 HydrophobicContact CB-CZ 4.35Å; L245-F249 HydrophobicContact CD2-CZ 4.4Å; L245-F249 WeakPolarHBondContact O-CB 3.28Å; L245-F249 WeakPolarHBondContact O-CD2 3.43Å; L245-F249 WeakPolarHBondContact O-CG 3.36Å; L245-F249 PolarHBondContact O-N 3.06Å; L245-F323 HydrophobicContact CD1-CD1 4.45Å; L245-V326 HydrophobicContact CD1-CG1 4.24Å
246S88.9Confident88.2Confident22 Ų2243.1 Ų43.115%0.15424%0.243CC..Hα-helixtrans-58.5-46.4174.2-173.60000111.6A242 I243 V244 F248 F249 Y250A242-S246 WeakPolarHBondContact O-CB 3.25Å; A242-S246 PolarHBondContact O-N 3.04Å; I243-S246 PolarHBondContact O-N 2.85Å; V244-S246 PolarHBondContact O-N 2.87Å; S246-F248 PolarHBondContact O-N 2.91Å; S246-F249 PolarHBondContact O-N 3.29Å; S246-Y250 WeakPolarHBondContact O-CB 3.36Å; S246-Y250 PolarHBondContact O-N 3.34Å
247A88.8Confident87.6Confident52 Ų5242.5 Ų42.543%0.4324%0.235SC..Hα-helixtrans-62.2-43.3177.500000112.3I243 V244 L245 Y250 V251I243-A247 WeakPolarHBondContact O-CB 3.28Å; I243-A247 PolarHBondContact O-N 2.8Å; V244-A247 PolarHBondContact O-N 2.89Å; L245-A247 PolarHBondContact O-N 3.36Å; A247-Y250 PolarHBondContact O-N 3.14Å; A247-V251 WeakPolarHBondContact O-CG2 3.48Å; A247-V251 PolarHBondContact O-N 3.14Å
248F87.4Confident87Confident70 Ų7044.4 Ų44.431%0.30725%0.25SS..Hα-helixtrans-65.7-43.4177.5-85.6-68.9000112.5I21 V244 L245 S246 Y250 V251 M252I21-F248 HydrophobicContact CD1-CD1 3.85Å; I21-F248 HydrophobicContact CD1-CD2 4.15Å; I21-F248 HydrophobicContact CD1-CE1 3.34Å; I21-F248 HydrophobicContact CD1-CE2 3.69Å; I21-F248 HydrophobicContact CD1-CG 4.24Å; I21-F248 HydrophobicContact CD1-CZ 3.27Å; I21-F248 HydrophobicContact CG1-CE2 4.36Å; I21-F248 HydrophobicContact CG1-CZ 4.24Å; I21-F248 HydrophobicContact CG2-CD2 4.01Å; I21-F248 HydrophobicContact CG2-CE2 3.85Å; V244-F248 HydrophobicContact CG1-CD2 3.6Å; V244-F248 HydrophobicContact CG1-CE2 3.54Å; V244-F248 WeakPolarHBondContact O-CD2 3.32Å; V244-F248 PolarHBondContact O-N 3.1Å; L245-F248 PolarHBondContact O-N 2.87Å; S246-F248 PolarHBondContact O-N 2.91Å; F248-Y250 VanDerWaalsContact C-N 3.29Å; F248-Y250 PolarHBondContact O-N 3.45Å; F248-V251 PolarHBondContact O-N 2.91Å; F248-M252 WeakPolarHBondContact O-CB 3.25Å; F248-M252 PolarHBondContact O-N 2.77Å
249F85.6Confident86.5Confident0 Ų046 Ų460%026%0.258CS..Hα-helixtrans-66.4-34.4176-62-29.5000111.9I18 I22 L245 S246 M252 T253 I281 A327 S334I18-F249 HydrophobicContact CG2-CE1 4.14Å; I22-F249 HydrophobicContact CD1-CE1 4.41Å; I22-F249 HydrophobicContact CD1-CZ 4.28Å; L245-F249 HydrophobicContact CB-CD2 4.41Å; L245-F249 HydrophobicContact CB-CE2 3.93Å; L245-F249 HydrophobicContact CB-CZ 4.35Å; L245-F249 HydrophobicContact CD2-CZ 4.4Å; L245-F249 WeakPolarHBondContact O-CB 3.28Å; L245-F249 WeakPolarHBondContact O-CD2 3.43Å; L245-F249 WeakPolarHBondContact O-CG 3.36Å; L245-F249 PolarHBondContact O-N 3.06Å; S246-F249 PolarHBondContact O-N 3.29Å; F249-M252 HydrophobicContact CD1-CE 4Å; F249-M252 HydrophobicContact CE1-CE 4.4Å; F249-M252 PolarHBondContact O-N 2.88Å; F249-T253 WeakPolarHBondContact O-CB 3.42Å; F249-T253 PolarHBondContact O-N 3.02Å; F249-T253 PolarHBondContact O-OG1 3.24Å; F249-I281 HydrophobicContact CB-CD1 3.84Å; F249-I281 HydrophobicContact CD1-CD1 3.81Å; F249-I281 HydrophobicContact CD1-CG1 3.77Å; F249-I281 HydrophobicContact CD1-CG2 4.29Å; F249-I281 HydrophobicContact CD2-CD1 3.95Å; F249-I281 HydrophobicContact CD2-CG1 4.43Å; F249-I281 HydrophobicContact CD2-CG2 3.93Å; F249-I281 HydrophobicContact CE1-CB 4.38Å; F249-I281 HydrophobicContact CE1-CD1 4.38Å; F249-I281 HydrophobicContact CE1-CG1 3.93Å; F249-I281 HydrophobicContact CE1-CG2 3.82Å; F249-I281 HydrophobicContact CE2-CD1 4.49Å; F249-I281 HydrophobicContact CE2-CG2 3.4Å; F249-I281 VanDerWaalsContact CE2-CG2 3.4Å; F249-I281 HydrophobicContact CG-CD1 3.58Å; F249-I281 HydrophobicContact CG-CG1 4.06Å; F249-I281 HydrophobicContact CG-CG2 4.37Å; F249-I281 HydrophobicContact CZ-CB 4.37Å; F249-I281 HydrophobicContact CZ-CG1 4.34Å; F249-I281 HydrophobicContact CZ-CG2 3.36Å; F249-A327 HydrophobicContact CE2-CB 4.21Å; F249-S334 WeakPolarHBondContact CB-OG 3.1Å
250Y86.1Confident86Confident85 Ų8544.3 Ų44.333%0.33324%0.242SC..Hα-helixtrans-64.9-48.4175.3176.2-100.9000111.4S246 A247 F248 M252 T253 I254 S334 K337S246-Y250 WeakPolarHBondContact O-CB 3.36Å; S246-Y250 PolarHBondContact O-N 3.34Å; A247-Y250 PolarHBondContact O-N 3.14Å; F248-Y250 VanDerWaalsContact C-N 3.29Å; F248-Y250 PolarHBondContact O-N 3.45Å; Y250-M252 VanDerWaalsContact C-N 3.33Å; Y250-M252 PolarHBondContact O-N 2.81Å; Y250-T253 PolarHBondContact O-N 3.04Å; Y250-I254 HydrophobicContact CD1-CD1 3.87Å; Y250-I254 HydrophobicContact CE1-CD1 3.32Å; Y250-I254 HydrophobicContact CE1-CG1 4.41Å; Y250-I254 HydrophobicContact CE2-CD1 4.21Å; Y250-I254 PolarHBondContact O-N 3.22Å; Y250-S334 WeakPolarHBondContact CA-OG 3.18Å; Y250-S334 PolarHBondContact N-OG 3.36Å; Y250-K337 HydrophobicContact CE2-CB 4.27Å; Y250-K337 HydrophobicContact CE2-CD 3.71Å; Y250-K337 VanDerWaalsContact OH-CD 3.25Å; Y250-K337 WeakPolarHBondContact OH-CD 3.4Å; Y250-K337 PolarHBondContact OH-NZ 3Å
251V84.9Confident85.5Confident65 Ų6539.8 Ų39.839%0.39422%0.219SC..Hα-helixtrans-61.4-42.7175.3172.30000111A247 F248 T253 I254 Q255A247-V251 WeakPolarHBondContact O-CG2 3.48Å; A247-V251 PolarHBondContact O-N 3.14Å; F248-V251 PolarHBondContact O-N 2.91Å; V251-T253 VanDerWaalsContact C-N 3.29Å; V251-T253 PolarHBondContact O-N 2.87Å; V251-I254 PolarHBondContact O-N 3.43Å; V251-Q255 HydrophobicContact CG1-CG 4.39Å; V251-Q255 VanDerWaalsContact O-CG 3.24Å; V251-Q255 WeakPolarHBondContact O-CG 3.29Å; V251-Q255 PolarHBondContact O-N 2.9Å
252M80.6Confident85.2Confident1 Ų143.4 Ų43.41%0.00524%0.237CC..Hα-helixtrans-60-41.4176.2-168.9-150.7-64.800111.4Y15 I18 F248 F249 Y250 Q255 K256 L284Y15-M252 HydrophobicContact CE1-CE 4.07Å; Y15-M252 HydrophobicContact CE1-SD 3.89Å; I18-M252 HydrophobicContact CD1-CB 4.29Å; I18-M252 HydrophobicContact CD1-CE 3.34Å; I18-M252 HydrophobicContact CD1-CG 4.16Å; I18-M252 HydrophobicContact CG2-CE 4.18Å; F248-M252 WeakPolarHBondContact O-CB 3.25Å; F248-M252 PolarHBondContact O-N 2.77Å; F249-M252 HydrophobicContact CD1-CE 4Å; F249-M252 HydrophobicContact CE1-CE 4.4Å; F249-M252 PolarHBondContact O-N 2.88Å; Y250-M252 VanDerWaalsContact C-N 3.33Å; Y250-M252 PolarHBondContact O-N 2.81Å; M252-Q255 PolarHBondContact O-N 2.92Å; M252-K256 HydrophobicContact CG-CD 4.41Å; M252-K256 WeakPolarHBondContact O-CD 3.36Å; M252-K256 WeakPolarHBondContact O-CG 3.31Å; M252-K256 PolarHBondContact O-N 3.12Å; M252-L284 HydrophobicContact CE-CD1 4Å
253T82.3Confident84.9Confident3 Ų344.2 Ų44.22%0.01824%0.237CC..Hα-helixtrans-66.5-43.4179.4-57.80000110.9F249 Y250 V251 Q255 K256 I257 L277 S334 L338F249-T253 WeakPolarHBondContact O-CB 3.42Å; F249-T253 PolarHBondContact O-N 3.02Å; F249-T253 PolarHBondContact O-OG1 3.24Å; Y250-T253 PolarHBondContact O-N 3.04Å; V251-T253 VanDerWaalsContact C-N 3.29Å; V251-T253 PolarHBondContact O-N 2.87Å; T253-Q255 VanDerWaalsContact C-N 3.33Å; T253-Q255 PolarHBondContact O-N 3.08Å; T253-K256 PolarHBondContact O-N 3.45Å; T253-K256 VanDerWaalsContact O-N 3.15Å; T253-I257 PolarHBondContact O-N 3.31Å; T253-L277 HydrophobicContact CG2-CD1 4.41Å; T253-S334 WeakPolarHBondContact OG1-CB 3.42Å; T253-L338 HydrophobicContact CG2-CB 4.49Å; T253-L338 HydrophobicContact CG2-CD1 3.69Å
254I82.2Confident84.4Confident64 Ų6440.8 Ų40.833%0.32822%0.218SC..Hα-helixtrans-58.7-46.6175.2-73.7174.5000111.2Y250 V251 K256 I257 K337Y250-I254 HydrophobicContact CD1-CD1 3.87Å; Y250-I254 HydrophobicContact CE1-CD1 3.32Å; Y250-I254 HydrophobicContact CE1-CG1 4.41Å; Y250-I254 HydrophobicContact CE2-CD1 4.21Å; Y250-I254 PolarHBondContact O-N 3.22Å; V251-I254 PolarHBondContact O-N 3.43Å; I254-K256 PolarHBondContact O-N 3.41Å; I254-I257 HydrophobicContact CB-CD1 4.32Å; I254-I257 HydrophobicContact CG1-CD1 4.29Å; I254-I257 HydrophobicContact CG2-CD1 4.33Å; I254-I257 WeakPolarHBondContact O-CB 3.46Å; I254-I257 VanDerWaalsContact O-CG1 3.27Å; I254-I257 WeakPolarHBondContact O-CG1 3.43Å; I254-I257 PolarHBondContact O-N 3.35Å; I254-K337 HydrophobicContact CD1-CD 4.28Å; I254-K337 HydrophobicContact CG1-CD 4.32Å
255Q81.1Confident84.1Confident93 Ų9341.6 Ų41.644%0.43523%0.229SC..THydrogen-bonded Turntrans-67.8-9.1-177.7-67.7167.2-16.700113.5R14 V251 M252 T253R14-Q255 VanDerWaalsContact CZ-CD 3.49Å; R14-Q255 VanDerWaalsContact NH1-CB 3.26Å; V251-Q255 HydrophobicContact CG1-CG 4.39Å; V251-Q255 VanDerWaalsContact O-CG 3.24Å; V251-Q255 WeakPolarHBondContact O-CG 3.29Å; V251-Q255 PolarHBondContact O-N 2.9Å; M252-Q255 PolarHBondContact O-N 2.92Å; T253-Q255 VanDerWaalsContact C-N 3.33Å; T253-Q255 PolarHBondContact O-N 3.08Å
256K80.1Confident83.9Confident5 Ų547.8 Ų47.82%0.02226%0.26CS..THydrogen-bonded Turntrans-101.7-2.3175.1-73.5165169.1-91.50113.4E7 Y15 M252 T253 I254 S258 Q259 I260 L277E7-K256 IonicContact OE1-NZ 2.73Å; E7-K256 PolarHBondContact OE1-NZ 3.32Å; E7-K256 IonicContact OE2-NZ 2.61Å; E7-K256 PolarHBondContact OE2-NZ 3.4Å; Y15-K256 WeakPolarHBondContact OH-CE 3.32Å; Y15-K256 PolarHBondContact OH-NZ 3.36Å; M252-K256 HydrophobicContact CG-CD 4.41Å; M252-K256 WeakPolarHBondContact O-CD 3.36Å; M252-K256 WeakPolarHBondContact O-CG 3.31Å; M252-K256 PolarHBondContact O-N 3.12Å; T253-K256 PolarHBondContact O-N 3.45Å; T253-K256 VanDerWaalsContact O-N 3.15Å; I254-K256 PolarHBondContact O-N 3.41Å; K256-S258 VanDerWaalsContact C-N 3.32Å; K256-S258 PolarHBondContact O-N 2.57Å; K256-Q259 PolarHBondContact O-N 2.82Å; K256-Q259 VanDerWaalsContact O-N 3.12Å; K256-I260 HydrophobicContact CB-CD1 3.85Å; K256-I260 HydrophobicContact CB-CG1 4.28Å; K256-I260 WeakPolarHBondContact O-CB 3.45Å; K256-I260 WeakPolarHBondContact O-CG1 3.39Å; K256-I260 PolarHBondContact O-N 2.9Å; K256-L277 HydrophobicContact CD-CD1 4.01Å
257I81.2Confident83.8Confident40 Ų4049.5 Ų49.521%0.20528%0.282CS..Hα-helixtrans-54.5-46.5-174-75173000111.8T253 I254 Q259 I260 G261 V341 A346T253-I257 PolarHBondContact O-N 3.31Å; I254-I257 HydrophobicContact CB-CD1 4.32Å; I254-I257 HydrophobicContact CG1-CD1 4.29Å; I254-I257 HydrophobicContact CG2-CD1 4.33Å; I254-I257 WeakPolarHBondContact O-CB 3.46Å; I254-I257 VanDerWaalsContact O-CG1 3.27Å; I254-I257 WeakPolarHBondContact O-CG1 3.43Å; I254-I257 PolarHBondContact O-N 3.35Å; I257-Q259 PolarHBondContact O-N 2.79Å; I257-I260 PolarHBondContact O-N 3.28Å; I257-G261 PolarHBondContact O-N 2.85Å; I257-V341 HydrophobicContact CD1-CG2 4.3Å; I257-V341 HydrophobicContact CG1-CG2 4.09Å; I257-V341 HydrophobicContact CG2-CG1 3.79Å; I257-V341 HydrophobicContact CG2-CG2 4.02Å; I257-A346 HydrophobicContact CG2-CB 4.2Å
258S80.5Confident83.7Confident68 Ų6850 Ų5048%0.47628%0.276SS..Hα-helixtrans-60.9-45.4179.3178.50000112.2K256 I260 G261 I262K256-S258 VanDerWaalsContact C-N 3.32Å; K256-S258 PolarHBondContact O-N 2.57Å; S258-I260 VanDerWaalsContact C-N 3.35Å; S258-I260 PolarHBondContact O-N 2.98Å; S258-G261 PolarHBondContact O-N 3.37Å; S258-I262 WeakPolarHBondContact O-CG1 3.5Å; S258-I262 PolarHBondContact O-N 3Å; S258-I262 VanDerWaalsContact O-N 3.07Å
259Q82.1Confident83.6Confident54 Ų5454.5 Ų54.525%0.25230%0.296SS..Hα-helixtrans-63.3-41.9177.3-65.4171.5-13.300111.9E7 Y11 K256 I257 G261 I262 L263E7-Q259 PolarHBondContact OE1-OE1 3.2Å; Y11-Q259 VanDerWaalsContact CE2-NE2 3.34Å; Y11-Q259 VanDerWaalsContact CZ-NE2 3.32Å; Y11-Q259 PolarHBondContact OH-NE2 3.31Å; K256-Q259 PolarHBondContact O-N 2.82Å; K256-Q259 VanDerWaalsContact O-N 3.12Å; I257-Q259 PolarHBondContact O-N 2.79Å; Q259-G261 VanDerWaalsContact C-N 3.34Å; Q259-I262 PolarHBondContact O-N 2.87Å; Q259-L263 WeakPolarHBondContact O-CG 3.4Å; Q259-L263 PolarHBondContact O-N 2.78Å
260I81.6Confident83.4Confident15 Ų1556.2 Ų56.28%0.07731%0.306CS..Hα-helixtrans-68-37.6178.7-68.2172.5000110.5K256 I257 S258 L263 K264 L273 L277 L338K256-I260 HydrophobicContact CB-CD1 3.85Å; K256-I260 HydrophobicContact CB-CG1 4.28Å; K256-I260 WeakPolarHBondContact O-CB 3.45Å; K256-I260 WeakPolarHBondContact O-CG1 3.39Å; K256-I260 PolarHBondContact O-N 2.9Å; I257-I260 PolarHBondContact O-N 3.28Å; S258-I260 VanDerWaalsContact C-N 3.35Å; S258-I260 PolarHBondContact O-N 2.98Å; I260-L263 PolarHBondContact O-N 2.91Å; I260-K264 VanDerWaalsContact O-CB 3.26Å; I260-K264 WeakPolarHBondContact O-CB 3.35Å; I260-K264 PolarHBondContact O-N 3.27Å; I260-L273 HydrophobicContact CG2-CD1 3.84Å; I260-L277 HydrophobicContact CD1-CD1 4.4Å; I260-L338 HydrophobicContact CD1-CD1 3.38Å; I260-L338 HydrophobicContact CD1-CD2 4.33Å; I260-L338 HydrophobicContact CD1-CG 4.42Å; I260-L338 HydrophobicContact CG2-CD1 4.12Å; I260-L338 HydrophobicContact CG2-CD2 4.41Å; I260-L338 HydrophobicContact CG2-CG 4.39Å
261G82.7Confident83.3Confident0 Ų062.3 Ų62.30%033%0.329CS..Hα-helixtrans-56.9-47.5172.900000112.3I257 S258 Q259 K264 A265I257-G261 PolarHBondContact O-N 2.85Å; S258-G261 PolarHBondContact O-N 3.37Å; Q259-G261 VanDerWaalsContact C-N 3.34Å; G261-K264 PolarHBondContact O-N 3.02Å; G261-A265 WeakPolarHBondContact O-CB 3.45Å; G261-A265 PolarHBondContact O-N 2.85Å
262I85.5Confident83.3Confident79 Ų7965.8 Ų65.841%0.40534%0.341SS..Hα-helixtrans-62.4-46.8176.2-63.1163.9000111S258 Q259 K264 A265 I266 I347S258-I262 WeakPolarHBondContact O-CG1 3.5Å; S258-I262 PolarHBondContact O-N 3Å; S258-I262 VanDerWaalsContact O-N 3.07Å; Q259-I262 PolarHBondContact O-N 2.87Å; I262-K264 VanDerWaalsContact C-N 3.27Å; I262-K264 PolarHBondContact O-N 3.47Å; I262-A265 WeakPolarHBondContact O-CB 3.33Å; I262-A265 PolarHBondContact O-N 3.43Å; I262-A265 VanDerWaalsContact O-N 3.16Å; I262-I266 HydrophobicContact CG2-CD1 3.89Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.01Å; I262-I347 HydrophobicContact CG1-CG1 4.25Å
263L85.4Confident83.4Confident47 Ų4766.4 Ų66.425%0.24634%0.344CS..Hα-helixtrans-62.8-36178.5-69.2172.1000112.2L3 Q259 I260 I266 G267 I268 L273L3-L263 HydrophobicContact CD2-CD1 4.49Å; Q259-L263 WeakPolarHBondContact O-CG 3.4Å; Q259-L263 PolarHBondContact O-N 2.78Å; I260-L263 PolarHBondContact O-N 2.91Å; L263-I266 PolarHBondContact O-N 3.23Å; L263-G267 PolarHBondContact O-N 3.41Å; L263-I268 HydrophobicContact CB-CB 4.49Å; L263-I268 HydrophobicContact CB-CD1 4.12Å; L263-I268 HydrophobicContact CD2-CD1 3.77Å; L263-I268 HydrophobicContact CG-CD1 4.42Å; L263-I268 VanDerWaalsContact O-CB 3.32Å; L263-I268 WeakPolarHBondContact O-CB 3.25Å; L263-I268 WeakPolarHBondContact O-CG1 3.36Å; L263-I268 PolarHBondContact O-N 3.29Å; L263-L273 HydrophobicContact CB-CD2 3.87Å; L263-L273 HydrophobicContact CD1-CD2 3.65Å; L263-L273 HydrophobicContact CG-CD2 4.42Å
264K83.6Confident83.4Confident49 Ų4967.1 Ų67.121%0.21335%0.347CS..Hα-helixtrans-69.9-38176-158174.2176.4-170.40110.8I260 G261 I262 I266 G267 L273 V341 P343I260-K264 VanDerWaalsContact O-CB 3.26Å; I260-K264 WeakPolarHBondContact O-CB 3.35Å; I260-K264 PolarHBondContact O-N 3.27Å; G261-K264 PolarHBondContact O-N 3.02Å; I262-K264 VanDerWaalsContact C-N 3.27Å; I262-K264 PolarHBondContact O-N 3.47Å; K264-I266 VanDerWaalsContact C-N 3.33Å; K264-I266 PolarHBondContact O-N 3.16Å; K264-G267 PolarHBondContact O-N 2.94Å; K264-L273 HydrophobicContact CB-CD1 4.46Å; K264-V341 PolarHBondContact NZ-O 2.88Å; K264-P343 HydrophobicContact CD-CG 4.18Å; K264-P343 HydrophobicContact CG-CG 4.24Å
265A86.4Confident83.6Confident60 Ų6067.5 Ų67.550%0.49636%0.356SS..Hα-helixtrans-65-33.2173.900000113G261 I262 G267 P343 I347G261-A265 WeakPolarHBondContact O-CB 3.45Å; G261-A265 PolarHBondContact O-N 2.85Å; I262-A265 WeakPolarHBondContact O-CB 3.33Å; I262-A265 PolarHBondContact O-N 3.43Å; I262-A265 VanDerWaalsContact O-N 3.16Å; A265-G267 PolarHBondContact O-N 3.11Å; A265-P343 HydrophobicContact CB-CB 4.47Å; A265-I347 HydrophobicContact CB-CD1 3.89Å
266I86Confident83.7Confident131 Ų13164.5 Ų64.567%0.67235%0.347SS*.THydrogen-bonded Turntrans-77.8-1.6173.6-60165.3000111.8I262 L263 K264I262-I266 HydrophobicContact CG2-CD1 3.89Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.01Å; L263-I266 PolarHBondContact O-N 3.23Å; K264-I266 VanDerWaalsContact C-N 3.33Å; K264-I266 PolarHBondContact O-N 3.16Å
267G86.4Confident83.9Confident58 Ų5864.5 Ų64.560%0.59835%0.347SS*.THydrogen-bonded Turntrans98.41117200000115.4L263 K264 A265 K269L263-G267 PolarHBondContact O-N 3.41Å; K264-G267 PolarHBondContact O-N 2.94Å; A265-G267 PolarHBondContact O-N 3.11Å; G267-K269 PolarHBondContact O-N 3.04Å
268I86.2Confident84.2Confident62 Ų6264.5 Ų64.532%0.31835%0.349SS..  trans-71.3125174.7-56.7-171.1000110L263 H272 L273L263-I268 HydrophobicContact CB-CB 4.49Å; L263-I268 HydrophobicContact CB-CD1 4.12Å; L263-I268 HydrophobicContact CD2-CD1 3.77Å; L263-I268 HydrophobicContact CG-CD1 4.42Å; L263-I268 VanDerWaalsContact O-CB 3.32Å; L263-I268 WeakPolarHBondContact O-CB 3.25Å; L263-I268 WeakPolarHBondContact O-CG1 3.36Å; L263-I268 PolarHBondContact O-N 3.29Å; I268-H272 HydrophobicContact CG2-CB 4.08Å; I268-L273 HydrophobicContact CG2-CD1 4.37Å; I268-L273 HydrophobicContact CG2-CD2 4Å; I268-L273 HydrophobicContact CG2-CG 3.87Å
269K85.6Confident84.6Confident166 Ų16664 Ų6472%0.72234%0.341SS*.  trans-62.2137178.1-62.9-175.3-179.6-177.20111.5G267 R271 H272 L273G267-K269 PolarHBondContact O-N 3.04Å; K269-R271 PolarHBondContact O-N 2.65Å; K269-R271 VanDerWaalsContact O-N 3.09Å; K269-H272 WeakPolarHBondContact O-CB 2.96Å; K269-H272 PolarHBondContact O-N 3.21Å; K269-L273 PolarHBondContact O-N 2.71Å
270T81.7Confident84.8Confident36 Ų3661.6 Ų61.622%0.22133%0.329CS..Hα-helixtrans-50.9-37.8177.9-45.70000113.2H272 L273 L274 F339T270-H272 VanDerWaalsContact C-N 3.32Å; T270-H272 PolarHBondContact O-N 3.16Å; T270-L273 WeakPolarHBondContact O-CB 3.46Å; T270-L273 PolarHBondContact O-N 3.34Å; T270-L273 VanDerWaalsContact O-N 3.17Å; T270-L274 HydrophobicContact CG2-CD1 4.04Å; T270-L274 HydrophobicContact CG2-CG 4.3Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 3.18Å; T270-F339 HydrophobicContact CG2-CD1 4.37Å; T270-F339 HydrophobicContact CG2-CE1 4.42Å
271R83.7Confident85.1Confident212 Ų21260.9 Ų60.980%0.833%0.326SS*.Hα-helixtrans-61.1-37.2177.8-173.9176.2175.2173.1-1.1113.2K269 S275K269-R271 PolarHBondContact O-N 2.65Å; K269-R271 VanDerWaalsContact O-N 3.09Å; R271-S275 WeakPolarHBondContact O-CB 3.43Å; R271-S275 PolarHBondContact O-N 2.81Å
272H84.4Confident85.5Confident139 Ų13963 Ų6364%0.64434%0.337SS*.Hα-helixtrans-69.1-38.7176.4-97.459.4000111.3I268 K269 T270 A276I268-H272 HydrophobicContact CG2-CB 4.08Å; K269-H272 WeakPolarHBondContact O-CB 2.96Å; K269-H272 PolarHBondContact O-N 3.21Å; T270-H272 VanDerWaalsContact C-N 3.32Å; T270-H272 PolarHBondContact O-N 3.16Å; H272-A276 WeakPolarHBondContact O-CB 3.19Å; H272-A276 PolarHBondContact O-N 3.42Å
273L83Confident85.7Confident13 Ų1361.2 Ų61.27%0.06833%0.329CS..Hα-helixtrans-64.8-46.4176.7-63.9162.4000111.2I260 L263 K264 I268 K269 T270 A276 L277I260-L273 HydrophobicContact CG2-CD1 3.84Å; L263-L273 HydrophobicContact CB-CD2 3.87Å; L263-L273 HydrophobicContact CD1-CD2 3.65Å; L263-L273 HydrophobicContact CG-CD2 4.42Å; K264-L273 HydrophobicContact CB-CD1 4.46Å; I268-L273 HydrophobicContact CG2-CD1 4.37Å; I268-L273 HydrophobicContact CG2-CD2 4Å; I268-L273 HydrophobicContact CG2-CG 3.87Å; K269-L273 PolarHBondContact O-N 2.71Å; T270-L273 WeakPolarHBondContact O-CB 3.46Å; T270-L273 PolarHBondContact O-N 3.34Å; T270-L273 VanDerWaalsContact O-N 3.17Å; L273-A276 PolarHBondContact O-N 3.4Å; L273-L277 PolarHBondContact O-N 2.88Å
274L82.8Confident86Confident18 Ų1859.1 Ų59.19%0.09432%0.318CS..Hα-helixtrans-60.8-47.8175.5-70169.7000111.9T270 A276 L277 V278 F335 L338 F339T270-L274 HydrophobicContact CG2-CD1 4.04Å; T270-L274 HydrophobicContact CG2-CG 4.3Å; T270-L274 WeakPolarHBondContact O-CG 3.45Å; T270-L274 PolarHBondContact O-N 3.18Å; L274-A276 VanDerWaalsContact C-N 3.31Å; L274-A276 PolarHBondContact O-N 2.98Å; L274-L277 PolarHBondContact O-N 3.39Å; L274-L277 VanDerWaalsContact O-N 3.1Å; L274-V278 WeakPolarHBondContact O-CG2 3.37Å; L274-V278 PolarHBondContact O-N 3.47Å; L274-F335 HydrophobicContact CD2-CB 3.67Å; L274-F335 HydrophobicContact CD2-CD1 3.26Å; L274-F335 HydrophobicContact CD2-CD2 3.92Å; L274-F335 HydrophobicContact CD2-CE1 3.85Å; L274-F335 HydrophobicContact CD2-CE2 4.43Å; L274-F335 HydrophobicContact CD2-CG 3.34Å; L274-F335 HydrophobicContact CD2-CZ 4.42Å; L274-L338 HydrophobicContact CD2-CB 4.22Å; L274-L338 HydrophobicContact CD2-CD2 3.38Å; L274-L338 HydrophobicContact CD2-CG 4.41Å; L274-L338 HydrophobicContact CG-CD2 3.89Å; L274-F339 HydrophobicContact CD1-CE1 3.69Å; L274-F339 HydrophobicContact CD1-CE2 3.96Å; L274-F339 HydrophobicContact CD1-CZ 3.32Å
275S85.2Confident86.4Confident72 Ų7256.8 Ų56.850%0.50331%0.308SS..Hα-helixtrans-62-38.4177.91790000112.2R271 L277 L279R271-S275 WeakPolarHBondContact O-CB 3.43Å; R271-S275 PolarHBondContact O-N 2.81Å; S275-L277 VanDerWaalsContact C-N 3.31Å; S275-L277 PolarHBondContact O-N 3.37Å; S275-L279 VanDerWaalsContact O-CB 3.26Å; S275-L279 WeakPolarHBondContact O-CB 3.26Å; S275-L279 PolarHBondContact O-N 2.84Å
276A84.7Confident86.8Confident30 Ų3058.7 Ų58.725%0.24831%0.309CS..Hα-helixtrans-62.8-39.317400000111.9H272 L273 L274 L279 Q280H272-A276 WeakPolarHBondContact O-CB 3.19Å; H272-A276 PolarHBondContact O-N 3.42Å; L273-A276 PolarHBondContact O-N 3.4Å; L274-A276 VanDerWaalsContact C-N 3.31Å; L274-A276 PolarHBondContact O-N 2.98Å; A276-L279 PolarHBondContact O-N 3.28Å; A276-Q280 WeakPolarHBondContact O-CB 3.29Å; A276-Q280 PolarHBondContact O-N 3.22Å
277L84.2Confident87.2Confident6 Ų656.3 Ų56.33%0.03130%0.297CS..Hα-helixtrans-70.7-42.9178.8-156.2136.1000112.1T253 K256 I260 L273 L274 S275 L279 Q280 I281 F335T253-L277 HydrophobicContact CG2-CD1 4.41Å; K256-L277 HydrophobicContact CD-CD1 4.01Å; I260-L277 HydrophobicContact CD1-CD1 4.4Å; L273-L277 PolarHBondContact O-N 2.88Å; L274-L277 PolarHBondContact O-N 3.39Å; L274-L277 VanDerWaalsContact O-N 3.1Å; S275-L277 VanDerWaalsContact C-N 3.31Å; S275-L277 PolarHBondContact O-N 3.37Å; L277-L279 VanDerWaalsContact C-N 3.33Å; L277-L279 PolarHBondContact O-N 3.25Å; L277-Q280 WeakPolarHBondContact O-CB 3.43Å; L277-Q280 PolarHBondContact O-N 2.88Å; L277-I281 HydrophobicContact CD2-CD1 3.54Å; L277-I281 HydrophobicContact CD2-CG1 4.37Å; L277-I281 WeakPolarHBondContact O-CG1 3.5Å; L277-I281 PolarHBondContact O-N 3.41Å; L277-F335 HydrophobicContact CB-CE1 4.35Å; L277-F335 HydrophobicContact CD2-CE1 3.7Å
278V86.9Confident87.6Confident39 Ų3953.6 Ų53.624%0.23627%0.269CS..Hα-helixtrans-55.2-50.7170.5176.40000110.1L274 Q280 I281 L282 F335L274-V278 WeakPolarHBondContact O-CG2 3.37Å; L274-V278 PolarHBondContact O-N 3.47Å; V278-Q280 VanDerWaalsContact C-N 3.27Å; V278-Q280 PolarHBondContact O-N 3.28Å; V278-I281 PolarHBondContact O-N 2.78Å; V278-L282 HydrophobicContact CG1-CD1 3.8Å; V278-L282 HydrophobicContact CG1-CG 4.25Å; V278-L282 WeakPolarHBondContact O-CB 3.35Å; V278-L282 WeakPolarHBondContact O-CG 3.07Å; V278-L282 PolarHBondContact O-N 3.29Å; V278-F335 HydrophobicContact CB-CZ 4.46Å; V278-F335 HydrophobicContact CG2-CE1 4.43Å; V278-F335 HydrophobicContact CG2-CE2 3.6Å; V278-F335 HydrophobicContact CG2-CZ 3.26Å
279L87.6Confident88.1Confident59 Ų5950.8 Ų50.831%0.30926%0.255SS..Hα-helixtrans-65.4-34.9-175.2-164.2143.7000111.4M1 S275 A276 L277 T283M1-L279 HydrophobicContact CG-CD2 3.99Å; S275-L279 VanDerWaalsContact O-CB 3.26Å; S275-L279 WeakPolarHBondContact O-CB 3.26Å; S275-L279 PolarHBondContact O-N 2.84Å; A276-L279 PolarHBondContact O-N 3.28Å; L277-L279 VanDerWaalsContact C-N 3.33Å; L277-L279 PolarHBondContact O-N 3.25Å; L279-T283 WeakPolarHBondContact O-CB 3.36Å; L279-T283 PolarHBondContact O-N 3.15Å; L279-T283 PolarHBondContact O-OG1 2.87Å
280Q87.3Confident88.7Confident2 Ų244.4 Ų44.41%0.00924%0.236CC..Hα-helixtrans-63.8-50171.817816560.300111.9A4 I8 Y15 A276 L277 V278 L282 T283 L284A4-Q280 HydrophobicContact CB-CB 4.18Å; I8-Q280 HydrophobicContact CD1-CG 4.31Å; I8-Q280 HydrophobicContact CG1-CG 4.34Å; Y15-Q280 VanDerWaalsContact CE1-CD 3.48Å; Y15-Q280 HydrophobicContact CE1-CG 3.97Å; Y15-Q280 VanDerWaalsContact CE1-NE2 3.3Å; Y15-Q280 PolarHBondContact OH-NE2 2.78Å; Y15-Q280 PolarHBondContact OH-OE1 3.25Å; A276-Q280 WeakPolarHBondContact O-CB 3.29Å; A276-Q280 PolarHBondContact O-N 3.22Å; L277-Q280 WeakPolarHBondContact O-CB 3.43Å; L277-Q280 PolarHBondContact O-N 2.88Å; V278-Q280 VanDerWaalsContact C-N 3.27Å; V278-Q280 PolarHBondContact O-N 3.28Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 2.77Å; Q280-T283 PolarHBondContact O-N 3.35Å; Q280-L284 HydrophobicContact CG-CD1 4.11Å; Q280-L284 VanDerWaalsContact O-CG 3.3Å; Q280-L284 WeakPolarHBondContact O-CG 3.31Å; Q280-L284 PolarHBondContact O-N 3.06Å
281I88.1Confident89.4Confident1 Ų146 Ų461%0.00524%0.242CC..Hα-helixtrans-59.8-45.6178-74.3171000111F249 L277 V278 T283 L284 T285 A327 A331F249-I281 HydrophobicContact CB-CD1 3.84Å; F249-I281 HydrophobicContact CD1-CD1 3.81Å; F249-I281 HydrophobicContact CD1-CG1 3.77Å; F249-I281 HydrophobicContact CD1-CG2 4.29Å; F249-I281 HydrophobicContact CD2-CD1 3.95Å; F249-I281 HydrophobicContact CD2-CG1 4.43Å; F249-I281 HydrophobicContact CD2-CG2 3.93Å; F249-I281 HydrophobicContact CE1-CB 4.38Å; F249-I281 HydrophobicContact CE1-CD1 4.38Å; F249-I281 HydrophobicContact CE1-CG1 3.93Å; F249-I281 HydrophobicContact CE1-CG2 3.82Å; F249-I281 HydrophobicContact CE2-CD1 4.49Å; F249-I281 HydrophobicContact CE2-CG2 3.4Å; F249-I281 VanDerWaalsContact CE2-CG2 3.4Å; F249-I281 HydrophobicContact CG-CD1 3.58Å; F249-I281 HydrophobicContact CG-CG1 4.06Å; F249-I281 HydrophobicContact CG-CG2 4.37Å; F249-I281 HydrophobicContact CZ-CB 4.37Å; F249-I281 HydrophobicContact CZ-CG1 4.34Å; F249-I281 HydrophobicContact CZ-CG2 3.36Å; L277-I281 HydrophobicContact CD2-CD1 3.54Å; L277-I281 HydrophobicContact CD2-CG1 4.37Å; L277-I281 WeakPolarHBondContact O-CG1 3.5Å; L277-I281 PolarHBondContact O-N 3.41Å; V278-I281 PolarHBondContact O-N 2.78Å; I281-T283 VanDerWaalsContact C-N 3.32Å; I281-T283 PolarHBondContact O-N 3.3Å; I281-L284 PolarHBondContact O-N 2.83Å; I281-T285 WeakPolarHBondContact O-CB 3.46Å; I281-T285 PolarHBondContact O-N 2.81Å; I281-T285 PolarHBondContact O-OG1 2.51Å; I281-A327 HydrophobicContact CG2-CB 4.21Å; I281-A331 HydrophobicContact CB-CB 4.48Å; I281-A331 HydrophobicContact CD1-CB 3.49Å; I281-A331 VanDerWaalsContact CD1-CB 3.49Å; I281-A331 HydrophobicContact CG2-CB 4.21Å
282L90.5Very high90.1Very high44 Ų4436 Ų3623%0.2320%0.204CC..Hα-helixtrans-60-43.2176.2-78.6175.1000111.6V278 Q280 L284 T285 I286 I324 I328V278-L282 HydrophobicContact CG1-CD1 3.8Å; V278-L282 HydrophobicContact CG1-CG 4.25Å; V278-L282 WeakPolarHBondContact O-CB 3.35Å; V278-L282 WeakPolarHBondContact O-CG 3.07Å; V278-L282 PolarHBondContact O-N 3.29Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 2.77Å; L282-L284 PolarHBondContact O-N 3.01Å; L282-T285 PolarHBondContact O-N 3.49Å; L282-I286 WeakPolarHBondContact O-CB 3.39Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3.49Å; L282-I324 HydrophobicContact CD2-CG2 3.9Å; L282-I328 HydrophobicContact CD2-CD1 4.18Å; L282-I328 HydrophobicContact CD2-CG1 3.83Å
283T90.3Very high90.7Very high41 Ų4130.8 Ų30.825%0.25218%0.182SC..Hα-helixtrans-61.6-46.7177.8-56.90000111.3L279 Q280 I281 T285 I286 I287L279-T283 WeakPolarHBondContact O-CB 3.36Å; L279-T283 PolarHBondContact O-N 3.15Å; L279-T283 PolarHBondContact O-OG1 2.87Å; Q280-T283 PolarHBondContact O-N 3.35Å; I281-T283 VanDerWaalsContact C-N 3.32Å; I281-T283 PolarHBondContact O-N 3.3Å; T283-T285 VanDerWaalsContact C-N 3.31Å; T283-T285 PolarHBondContact O-N 2.92Å; T283-I286 PolarHBondContact O-N 3.49Å; T283-I287 HydrophobicContact CG2-CD1 3.88Å; T283-I287 VanDerWaalsContact O-CG1 3.27Å; T283-I287 WeakPolarHBondContact O-CG1 3.39Å; T283-I287 PolarHBondContact O-N 2.75Å
284L90.6Very high91.3Very high3 Ų336 Ų362%0.01621%0.209CC..Hα-helixtrans-63.7-38.9177.4-63165.1000111.7I8 Y15 I18 T19 I22 M252 Q280 I281 L282 I287 G288I8-L284 HydrophobicContact CD1-CD2 4.32Å; Y15-L284 HydrophobicContact CD1-CD1 3.49Å; Y15-L284 VanDerWaalsContact CD1-CD1 3.49Å; Y15-L284 HydrophobicContact CD1-CD2 3.86Å; Y15-L284 HydrophobicContact CD1-CG 4.27Å; Y15-L284 HydrophobicContact CE1-CD1 3.81Å; Y15-L284 HydrophobicContact CG-CD2 4.43Å; I18-L284 HydrophobicContact CG2-CD1 4.46Å; T19-L284 WeakPolarHBondContact OG1-CD2 3.26Å; I22-L284 HydrophobicContact CD1-CB 4.23Å; M252-L284 HydrophobicContact CE-CD1 4Å; Q280-L284 HydrophobicContact CG-CD1 4.11Å; Q280-L284 VanDerWaalsContact O-CG 3.3Å; Q280-L284 WeakPolarHBondContact O-CG 3.31Å; Q280-L284 PolarHBondContact O-N 3.06Å; I281-L284 PolarHBondContact O-N 2.83Å; L282-L284 PolarHBondContact O-N 3.01Å; L284-I287 PolarHBondContact O-N 3.13Å; L284-G288 PolarHBondContact O-N 2.97Å
285T92.8Very high92Very high0 Ų038.2 Ų38.20%022%0.22CC..Hα-helixtrans-64.8-49.3178.1-550000110.8I281 L282 T283 I287 G288 V289 A327I281-T285 WeakPolarHBondContact O-CB 3.46Å; I281-T285 PolarHBondContact O-N 2.81Å; I281-T285 PolarHBondContact O-OG1 2.51Å; L282-T285 PolarHBondContact O-N 3.49Å; T283-T285 VanDerWaalsContact C-N 3.31Å; T283-T285 PolarHBondContact O-N 2.92Å; T285-I287 VanDerWaalsContact C-N 3.31Å; T285-I287 PolarHBondContact O-N 3.5Å; T285-G288 PolarHBondContact O-N 2.88Å; T285-V289 HydrophobicContact CG2-CG2 3.94Å; T285-V289 VanDerWaalsContact O-CB 3.25Å; T285-V289 WeakPolarHBondContact O-CB 3.42Å; T285-V289 WeakPolarHBondContact O-CG2 3.41Å; T285-V289 PolarHBondContact O-N 2.83Å; T285-A327 HydrophobicContact CG2-CB 3.77Å; T285-A327 WeakPolarHBondContact OG1-CB 3.43Å
286I94.8Very high92.5Very high101 Ų10134.9 Ų34.952%0.51820%0.197SC..Hα-helixtrans-60-42.5178.4-69.9166.3000110.9L282 T283 G290L282-I286 WeakPolarHBondContact O-CB 3.39Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3.49Å; T283-I286 PolarHBondContact O-N 3.49Å; I286-G290 WeakPolarHBondContact O-CA 3.24Å; I286-G290 PolarHBondContact O-N 2.83Å
287I94.6Very high93Very high81 Ų8136 Ų3642%0.41520%0.201SC..Hα-helixtrans-66.7-50.5178.1-67.4168000110.7T19 T283 L284 T285 G290 I291T19-I287 HydrophobicContact CG2-CG2 4.05Å; T283-I287 HydrophobicContact CG2-CD1 3.88Å; T283-I287 VanDerWaalsContact O-CG1 3.27Å; T283-I287 WeakPolarHBondContact O-CG1 3.39Å; T283-I287 PolarHBondContact O-N 2.75Å; L284-I287 PolarHBondContact O-N 3.13Å; T285-I287 VanDerWaalsContact C-N 3.31Å; T285-I287 PolarHBondContact O-N 3.5Å; I287-G290 PolarHBondContact O-N 2.64Å; I287-I291 HydrophobicContact CG2-CD1 3.76Å; I287-I291 VanDerWaalsContact O-CG1 3.25Å; I287-I291 WeakPolarHBondContact O-CG1 3.17Å; I287-I291 PolarHBondContact O-N 2.68Å
288G95.1Very high93.5Very high0 Ų037.5 Ų37.50%022%0.217CC..Hα-helixtrans-61.8-47.3-178.300000112.5L23 L284 T285 A292L23-G288 WeakPolarHBondContact CD1-O 3.3Å; L284-G288 PolarHBondContact O-N 2.97Å; T285-G288 PolarHBondContact O-N 2.88Å; G288-A292 WeakPolarHBondContact O-CB 3.44Å; G288-A292 PolarHBondContact O-N 3.37Å
289V96.5Very high93.9Very high4 Ų439.1 Ų39.12%0.02423%0.225CC..Hα-helixtrans-67.1-41176.8177.50000110.8I22 S26 T285 I291 A292 V293 V320 F323I22-V289 HydrophobicContact CG2-CG2 4.05Å; S26-V289 WeakPolarHBondContact OG-CG2 3.24Å; T285-V289 HydrophobicContact CG2-CG2 3.94Å; T285-V289 VanDerWaalsContact O-CB 3.25Å; T285-V289 WeakPolarHBondContact O-CB 3.42Å; T285-V289 WeakPolarHBondContact O-CG2 3.41Å; T285-V289 PolarHBondContact O-N 2.83Å; V289-I291 PolarHBondContact O-N 3.25Å; V289-A292 VanDerWaalsContact O-CB 3.31Å; V289-A292 WeakPolarHBondContact O-CB 3.47Å; V289-A292 PolarHBondContact O-N 2.88Å; V289-A292 VanDerWaalsContact O-N 3.13Å; V289-V293 HydrophobicContact CG1-CG2 4.4Å; V289-V293 WeakPolarHBondContact O-CG2 3.31Å; V289-V293 PolarHBondContact O-N 3.39Å; V289-V320 HydrophobicContact CG1-CB 4.36Å; V289-V320 HydrophobicContact CG1-CG1 4.29Å; V289-V320 HydrophobicContact CG1-CG2 3.78Å; V289-F323 HydrophobicContact CG2-CB 3.82Å; V289-F323 HydrophobicContact CG2-CD1 3.92Å; V289-F323 HydrophobicContact CG2-CD2 4.46Å; V289-F323 HydrophobicContact CG2-CG 3.81Å
290G96.9Very high94.1Very high32 Ų3238.6 Ų38.633%0.3323%0.226SC..Hα-helixtrans-60.6-44.4178.200000112.3I286 I287 A292 V293 I294I286-G290 WeakPolarHBondContact O-CA 3.24Å; I286-G290 PolarHBondContact O-N 2.83Å; I287-G290 PolarHBondContact O-N 2.64Å; G290-A292 VanDerWaalsContact C-N 3.33Å; G290-V293 PolarHBondContact O-N 3.37Å; G290-I294 WeakPolarHBondContact O-CG1 3.13Å; G290-I294 PolarHBondContact O-N 2.79Å; G290-I294 VanDerWaalsContact O-N 3.1Å
291I97.3Very high94.2Very high70 Ų7046.7 Ų46.736%0.35926%0.261SS..Hα-helixtrans-64.9-39.8174-63.6166.4000110.4L23 I287 V289 V293 I294 I295L23-I291 HydrophobicContact CD1-CB 3.92Å; L23-I291 HydrophobicContact CD1-CG2 3.69Å; L23-I291 HydrophobicContact CD2-CG2 4.17Å; I287-I291 HydrophobicContact CG2-CD1 3.76Å; I287-I291 VanDerWaalsContact O-CG1 3.25Å; I287-I291 WeakPolarHBondContact O-CG1 3.17Å; I287-I291 PolarHBondContact O-N 2.68Å; V289-I291 PolarHBondContact O-N 3.25Å; I291-V293 PolarHBondContact O-N 2.76Å; I291-I294 PolarHBondContact O-N 2.98Å; I291-I295 HydrophobicContact CG2-CD1 3.84Å; I291-I295 HydrophobicContact CG2-CG1 4.39Å; I291-I295 WeakPolarHBondContact O-CG1 3.47Å; I291-I295 PolarHBondContact O-N 3.24Å
292A97.4Very high94.4Very high0 Ų054.6 Ų54.60%030%0.3CS..Hα-helixtrans-59.4-46176.800000112L23 I27 L30 G288 V289 G290 I294 I295 I296L23-A292 HydrophobicContact CD1-CB 3.74Å; L23-A292 VanDerWaalsContact CD1-N 3.3Å; I27-A292 HydrophobicContact CG1-CB 3.82Å; L30-A292 HydrophobicContact CD1-CB 4.08Å; G288-A292 WeakPolarHBondContact O-CB 3.44Å; G288-A292 PolarHBondContact O-N 3.37Å; V289-A292 VanDerWaalsContact O-CB 3.31Å; V289-A292 WeakPolarHBondContact O-CB 3.47Å; V289-A292 PolarHBondContact O-N 2.88Å; V289-A292 VanDerWaalsContact O-N 3.13Å; G290-A292 VanDerWaalsContact C-N 3.33Å; A292-I294 VanDerWaalsContact C-N 3.35Å; A292-I294 PolarHBondContact O-N 3.13Å; A292-I295 PolarHBondContact O-N 2.84Å; A292-I296 WeakPolarHBondContact O-CB 3.21Å; A292-I296 VanDerWaalsContact O-CG1 3.27Å; A292-I296 WeakPolarHBondContact O-CG1 3.24Å; A292-I296 PolarHBondContact O-N 2.82Å
293V97.3Very high94.4Very high30 Ų3054.1 Ų54.118%0.18230%0.297CS..Hα-helixtrans-60.7-45.2177.2171.70000110.6L30 V289 G290 I291 I295 I296 V297 I316 V320L30-V293 HydrophobicContact CD1-CG2 3.82Å; V289-V293 HydrophobicContact CG1-CG2 4.4Å; V289-V293 WeakPolarHBondContact O-CG2 3.31Å; V289-V293 PolarHBondContact O-N 3.39Å; G290-V293 PolarHBondContact O-N 3.37Å; I291-V293 PolarHBondContact O-N 2.76Å; V293-I295 VanDerWaalsContact C-N 3.32Å; V293-I295 PolarHBondContact O-N 2.58Å; V293-I296 PolarHBondContact O-N 2.99Å; V293-V297 HydrophobicContact CG1-CG2 4.19Å; V293-V297 WeakPolarHBondContact O-CB 2.99Å; V293-V297 VanDerWaalsContact O-CG2 3.29Å; V293-V297 WeakPolarHBondContact O-CG2 3.42Å; V293-V297 PolarHBondContact O-N 2.8Å; V293-I316 HydrophobicContact CG1-CG2 3.87Å; V293-I316 HydrophobicContact CG2-CG2 3.92Å; V293-V320 HydrophobicContact CG2-CG2 4.01Å
294I97Very high94.5Very high122 Ų12255.9 Ų55.963%0.62631%0.309SS*.Hα-helixtrans-59.4-45177.1-67.7165.2000110.8G290 I291 A292 G298G290-I294 WeakPolarHBondContact O-CG1 3.13Å; G290-I294 PolarHBondContact O-N 2.79Å; G290-I294 VanDerWaalsContact O-N 3.1Å; I291-I294 PolarHBondContact O-N 2.98Å; A292-I294 VanDerWaalsContact C-N 3.35Å; A292-I294 PolarHBondContact O-N 3.13Å; I294-G298 PolarHBondContact O-N 3.09Å
295I97.1Very high94.2Very high65 Ų6559.3 Ų59.333%0.33333%0.33SS..Hα-helixtrans-64.3-44.8179-71.8172.1000111L23 I27 I291 A292 V293 G298 L299L23-I295 HydrophobicContact CD1-CD1 4.2Å; I27-I295 HydrophobicContact CD1-CB 4.46Å; I27-I295 HydrophobicContact CD1-CD1 4.03Å; I27-I295 HydrophobicContact CD1-CG2 4.08Å; I291-I295 HydrophobicContact CG2-CD1 3.84Å; I291-I295 HydrophobicContact CG2-CG1 4.39Å; I291-I295 WeakPolarHBondContact O-CG1 3.47Å; I291-I295 PolarHBondContact O-N 3.24Å; A292-I295 PolarHBondContact O-N 2.84Å; V293-I295 VanDerWaalsContact C-N 3.32Å; V293-I295 PolarHBondContact O-N 2.58Å; I295-G298 PolarHBondContact O-N 2.93Å; I295-L299 HydrophobicContact CG2-CD1 3.67Å; I295-L299 WeakPolarHBondContact O-CB 3.23Å; I295-L299 WeakPolarHBondContact O-CD1 3.34Å; I295-L299 WeakPolarHBondContact O-CG 3.26Å; I295-L299 PolarHBondContact O-N 2.71Å
296I96.4Very high94Very high2 Ų262.2 Ų62.21%0.0135%0.348CS..Hα-helixtrans-67.3-44-178.4-70.9-70000111.7I27 L30 F31 A292 V293 G298 L299 S300 F309 L311I27-I296 HydrophobicContact CG2-CD1 4.05Å; L30-I296 HydrophobicContact CB-CD1 4.32Å; L30-I296 HydrophobicContact CB-CG1 3.86Å; L30-I296 HydrophobicContact CB-CG2 4.29Å; L30-I296 HydrophobicContact CD1-CB 4.47Å; L30-I296 HydrophobicContact CD1-CG1 4.06Å; F31-I296 HydrophobicContact CB-CD1 3.85Å; F31-I296 HydrophobicContact CD2-CD1 4.23Å; A292-I296 WeakPolarHBondContact O-CB 3.21Å; A292-I296 VanDerWaalsContact O-CG1 3.27Å; A292-I296 WeakPolarHBondContact O-CG1 3.24Å; A292-I296 PolarHBondContact O-N 2.82Å; V293-I296 PolarHBondContact O-N 2.99Å; I296-G298 VanDerWaalsContact C-N 3.31Å; I296-L299 PolarHBondContact O-N 2.81Å; I296-S300 PolarHBondContact O-N 2.85Å; I296-F309 HydrophobicContact CG2-CE1 4.42Å; I296-F309 HydrophobicContact CG2-CZ 3.81Å; I296-L311 HydrophobicContact CG2-CD1 3.57Å
297V95Very high93.9Very high54 Ų5460 Ų6033%0.32734%0.336SS..Hα-helixtrans-65.4-37.8174.8172.40000110.5V293 S300 F301 I316V293-V297 HydrophobicContact CG1-CG2 4.19Å; V293-V297 WeakPolarHBondContact O-CB 2.99Å; V293-V297 VanDerWaalsContact O-CG2 3.29Å; V293-V297 WeakPolarHBondContact O-CG2 3.42Å; V293-V297 PolarHBondContact O-N 2.8Å; V297-S300 PolarHBondContact O-N 3.36Å; V297-S300 PolarHBondContact O-OG 2.87Å; V297-F301 HydrophobicContact CG1-CE2 3.84Å; V297-F301 HydrophobicContact CG1-CZ 4.48Å; V297-F301 WeakPolarHBondContact O-CD2 3.31Å; V297-F301 WeakPolarHBondContact O-CE2 3.22Å; V297-I316 HydrophobicContact CG2-CD1 4.06Å
298G94.9Very high93.7Very high37 Ų3757.6 Ų57.638%0.38133%0.325SS..Hα-helixtrans-61.4-47.1172.700000112.4I294 I295 I296 S300 F301I294-G298 PolarHBondContact O-N 3.09Å; I295-G298 PolarHBondContact O-N 2.93Å; I296-G298 VanDerWaalsContact C-N 3.31Å; G298-S300 VanDerWaalsContact C-N 3.28Å; G298-S300 PolarHBondContact O-N 2.9Å; G298-F301 PolarHBondContact O-N 3.28Å
299L93.7Very high93.7Very high74 Ų7459.1 Ų59.139%0.38733%0.332SS..Hα-helixtrans-60.6-36.3175.7-82.8157.6000111.8I295 I296 F301 M302 M303I295-L299 HydrophobicContact CG2-CD1 3.67Å; I295-L299 WeakPolarHBondContact O-CB 3.23Å; I295-L299 WeakPolarHBondContact O-CD1 3.34Å; I295-L299 WeakPolarHBondContact O-CG 3.26Å; I295-L299 PolarHBondContact O-N 2.71Å; I296-L299 PolarHBondContact O-N 2.81Å; L299-F301 PolarHBondContact O-N 3.05Å; L299-M302 PolarHBondContact O-N 2.9Å; L299-M303 WeakPolarHBondContact O-CG 3.29Å; L299-M303 PolarHBondContact O-N 3.49Å; L299-M303 VanDerWaalsContact O-N 3.08Å
300S92.1Very high93.5Very high48 Ų4862.6 Ų62.634%0.33635%0.345SS..Hα-helixtrans-62.5-26.1-179.866.30000114.3I296 V297 G298 M302 M303I296-S300 PolarHBondContact O-N 2.85Å; V297-S300 PolarHBondContact O-N 3.36Å; V297-S300 PolarHBondContact O-OG 2.87Å; G298-S300 VanDerWaalsContact C-N 3.28Å; G298-S300 PolarHBondContact O-N 2.9Å; S300-M302 VanDerWaalsContact C-N 3.35Å; S300-M303 VanDerWaalsContact CA-CE 3.41Å
301F90.8Very high93.2Very high172 Ų17262.5 Ų62.575%0.75434%0.337SS*.Hα-helixtrans-76.9-21.8173.6-64.5-66.7000113.8V297 G298 L299V297-F301 HydrophobicContact CG1-CE2 3.84Å; V297-F301 HydrophobicContact CG1-CZ 4.48Å; V297-F301 WeakPolarHBondContact O-CD2 3.31Å; V297-F301 WeakPolarHBondContact O-CE2 3.22Å; G298-F301 PolarHBondContact O-N 3.28Å; L299-F301 PolarHBondContact O-N 3.05Å
302M92Very high93Very high166 Ų16660.9 Ų60.982%0.81833%0.331SS*.Hα-helixtrans-96.1-12.7-179.3-57.8-170.176.800112.7L299 S300L299-M302 PolarHBondContact O-N 2.9Å; S300-M302 VanDerWaalsContact C-N 3.35Å
303M90.4Very high92.8Very high35 Ų3566.3 Ų66.317%0.17236%0.364CS..SBendtrans-72140.6-179.7-78.5-171.7-7900111.4F31 L299 S300 M307 F309F31-M303 HydrophobicContact CE2-SD 4.16Å; L299-M303 WeakPolarHBondContact O-CG 3.29Å; L299-M303 PolarHBondContact O-N 3.49Å; L299-M303 VanDerWaalsContact O-N 3.08Å; S300-M303 VanDerWaalsContact CA-CE 3.41Å; M303-M307 HydrophobicContact CB-SD 4.3Å; M303-M307 HydrophobicContact CG-SD 3.85Å; M303-M307 HydrophobicContact SD-CE 3.42Å; M303-M307 WeakPolarHBondContact SD-CE 3.29Å; M303-M307 HydrophobicContact SD-CG 4.48Å; M303-M307 HydrophobicContact SD-SD 3.38Å; M303-F309 HydrophobicContact CE-CB 3.86Å; M303-F309 HydrophobicContact CE-CD1 3.18Å; M303-F309 HydrophobicContact CE-CD2 3.58Å; M303-F309 HydrophobicContact CE-CE1 3.49Å; M303-F309 VanDerWaalsContact CE-CE1 3.49Å; M303-F309 HydrophobicContact CE-CE2 3.85Å; M303-F309 HydrophobicContact CE-CG 3.23Å; M303-F309 HydrophobicContact CE-CZ 3.81Å; M303-F309 HydrophobicContact SD-CB 3.95Å; M303-F309 HydrophobicContact SD-CD1 4.35Å; M303-F309 HydrophobicContact SD-CD2 3.98Å; M303-F309 HydrophobicContact SD-CG 3.83Å
304P91.2Very high92.7Very high78 Ų7872.1 Ų72.151%0.50639%0.389SS..  trans-68.3145.7175.529.5-33.5000110.1T306 M307P304-T306 PolarHBondContact O-N 2.98Å; P304-M307 HydrophobicContact CG-CB 4.1Å; P304-M307 WeakPolarHBondContact O-CB 3.4Å; P304-M307 PolarHBondContact O-N 2.92Å
305V86Confident92.4Very high74 Ų7468.4 Ų68.445%0.44837%0.37SS..THydrogen-bonded Turntrans-61.6-14.1177.6-62.90000113.7A136 M307A136-V305 HydrophobicContact CB-CG2 3.46Å; A136-V305 VanDerWaalsContact CB-CG2 3.46Å; V305-M307 VanDerWaalsContact C-N 3.3Å
306T87.1Confident92.3Very high61 Ų6166.4 Ų66.437%0.37436%0.36SS..THydrogen-bonded Turntrans-78.2-16.4174.754.60000113.2A136 P304A136-T306 HydrophobicContact CB-CG2 3.62Å; P304-T306 PolarHBondContact O-N 2.98Å
307M92.4Very high92.3Very high55 Ų5572.3 Ų72.327%0.27139%0.391SS..SBendtrans-84.3125177.9-175.2173171.700109.4F31 L35 M303 P304 V305 F309F31-M307 HydrophobicContact CE1-CE 4.46Å; F31-M307 HydrophobicContact CE2-CE 3.78Å; F31-M307 HydrophobicContact CZ-CE 3.45Å; F31-M307 VanDerWaalsContact CZ-CE 3.45Å; L35-M307 HydrophobicContact CD2-CE 3.6Å; L35-M307 HydrophobicContact CD2-CG 4.24Å; L35-M307 HydrophobicContact CG-CE 4.35Å; M303-M307 HydrophobicContact CB-SD 4.3Å; M303-M307 HydrophobicContact CG-SD 3.85Å; M303-M307 HydrophobicContact SD-CE 3.42Å; M303-M307 WeakPolarHBondContact SD-CE 3.29Å; M303-M307 HydrophobicContact SD-CG 4.48Å; M303-M307 HydrophobicContact SD-SD 3.38Å; P304-M307 HydrophobicContact CG-CB 4.1Å; P304-M307 WeakPolarHBondContact O-CB 3.4Å; P304-M307 PolarHBondContact O-N 2.92Å; V305-M307 VanDerWaalsContact C-N 3.3Å; M307-F309 HydrophobicContact CG-CB 4.45Å; M307-F309 PolarHBondContact O-N 3.3Å
308P92Very high92.2Very high30 Ų3074.8 Ų74.820%0.19540%0.402CS..  trans-75.773.4-17831.2-35.4000110L35 G38 L39 E42L35-P308 WeakPolarHBondContact CA-O 3.46Å; L35-P308 HydrophobicContact CD2-CG 4.5Å; G38-P308 WeakPolarHBondContact CA-O 3.28Å; L39-P308 HydrophobicContact CD2-CB 3.99Å; L39-P308 HydrophobicContact CD2-CG 3.7Å; L39-P308 HydrophobicContact CG-CB 4.13Å; L39-P308 HydrophobicContact CG-CG 3.97Å; E42-P308 HydrophobicContact CG-CB 4.23Å; E42-P308 WeakPolarHBondContact OE1-CB 3.45Å
309F94.2Very high92.1Very high32 Ų3273.2 Ų73.214%0.1439%0.385CS..  trans-118.5116.9179.3-171.2-86000110.6F31 L35 I296 M303 M307 L311F31-F309 HydrophobicContact CD2-CD2 4.4Å; F31-F309 AromaticContact CD2-CE2 3.81Å; F31-F309 HydrophobicContact CD2-CE2 3.81Å; F31-F309 HydrophobicContact CE2-CD2 4.44Å; F31-F309 HydrophobicContact CE2-CE2 4.28Å; F31-F309 HydrophobicContact CG-CE2 4.44Å; L35-F309 HydrophobicContact CD2-CD2 4.3Å; L35-F309 HydrophobicContact CG-CD2 4.22Å; I296-F309 HydrophobicContact CG2-CE1 4.42Å; I296-F309 HydrophobicContact CG2-CZ 3.81Å; M303-F309 HydrophobicContact CE-CB 3.86Å; M303-F309 HydrophobicContact CE-CD1 3.18Å; M303-F309 HydrophobicContact CE-CD2 3.58Å; M303-F309 HydrophobicContact CE-CE1 3.49Å; M303-F309 VanDerWaalsContact CE-CE1 3.49Å; M303-F309 HydrophobicContact CE-CE2 3.85Å; M303-F309 HydrophobicContact CE-CG 3.23Å; M303-F309 HydrophobicContact CE-CZ 3.81Å; M303-F309 HydrophobicContact SD-CB 3.95Å; M303-F309 HydrophobicContact SD-CD1 4.35Å; M303-F309 HydrophobicContact SD-CD2 3.98Å; M303-F309 HydrophobicContact SD-CG 3.83Å; M307-F309 HydrophobicContact CG-CB 4.45Å; M307-F309 PolarHBondContact O-N 3.3Å; F309-L311 HydrophobicContact CE1-CB 4.44Å; F309-L311 HydrophobicContact CE1-CD1 3.86Å; F309-L311 HydrophobicContact CE1-CG 4Å; F309-L311 HydrophobicContact CZ-CD1 3.5Å; F309-L311 VanDerWaalsContact CZ-CD1 3.5Å; F309-L311 HydrophobicContact CZ-CG 3.94Å
310Y92.1Very high92.1Very high77 Ų7771.8 Ų71.830%0.30238%0.379SS..  trans-142124.2179.5-172.6-110.3000111G34 Q37 R41 T312G34-Y310 WeakPolarHBondContact CA-O 3.38Å; G34-Y310 PolarHBondContact O-N 3.24Å; Q37-Y310 VanDerWaalsContact CB-O 3.28Å; Q37-Y310 WeakPolarHBondContact CB-O 3.5Å; Q37-Y310 PolarHBondContact OE1-O 3.36Å; R41-Y310 VanDerWaalsContact CD-CD1 3.46Å; R41-Y310 VanDerWaalsContact CD-CG 3.45Å; R41-Y310 VanDerWaalsContact CZ-CE2 3.44Å; R41-Y310 VanDerWaalsContact NH1-CD2 3.32Å; R41-Y310 VanDerWaalsContact NH1-CE2 3.29Å; Y310-T312 HydrophobicContact CD1-CG2 4.17Å; Y310-T312 HydrophobicContact CE1-CG2 3.3Å
311L91.8Very high92.2Very high31 Ų3171.2 Ų71.216%0.16238%0.381CS..  trans-134115.5173.3-76.3177000109.3G34 I296 F309 I316 M319G34-L311 VanDerWaalsContact CA-CD2 3.45Å; I296-L311 HydrophobicContact CG2-CD1 3.57Å; F309-L311 HydrophobicContact CE1-CB 4.44Å; F309-L311 HydrophobicContact CE1-CD1 3.86Å; F309-L311 HydrophobicContact CE1-CG 4Å; F309-L311 HydrophobicContact CZ-CD1 3.5Å; F309-L311 VanDerWaalsContact CZ-CD1 3.5Å; F309-L311 HydrophobicContact CZ-CG 3.94Å; L311-I316 HydrophobicContact CB-CD1 4.2Å; L311-I316 HydrophobicContact CB-CG1 4.14Å; L311-I316 HydrophobicContact CD1-CG1 4.4Å; L311-M319 HydrophobicContact CD2-CE 3.85Å
312T92.4Very high92.4Very high36 Ų3665.6 Ų65.622%0.22136%0.358CS..  trans-78.4156.8170.868.10000110.6Y310 Q314 N315 I316Y310-T312 HydrophobicContact CD1-CG2 4.17Å; Y310-T312 HydrophobicContact CE1-CG2 3.3Å; T312-Q314 PolarHBondContact O-N 3.29Å; T312-N315 PolarHBondContact O-N 3.43Å; T312-N315 VanDerWaalsContact O-N 3.1Å; T312-N315 WeakPolarHBondContact OG1-CB 3.43Å; T312-N315 PolarHBondContact OG1-N 3.01Å; T312-N315 VanDerWaalsContact OG1-N 3.08Å; T312-N315 PolarHBondContact OG1-ND2 3.27Å; T312-N315 VanDerWaalsContact OG1-ND2 3.09Å; T312-I316 WeakPolarHBondContact O-CG1 3.43Å; T312-I316 PolarHBondContact O-N 2.81Å
313T94.1Very high92.4Very high113 Ų11357.8 Ų57.869%0.69332%0.32SS*.Hα-helixtrans-55.5-38.3172.5-50.50000111.6I316 L317T313-I316 PolarHBondContact O-N 3.33Å; T313-L317 WeakPolarHBondContact O-CB 3.49Å; T313-L317 PolarHBondContact O-N 2.82Å
314Q93.8Very high92.5Very high152 Ų15258.5 Ų58.571%0.7132%0.324SS*.Hα-helixtrans-62.3-44.6176.9-179.8172.9-8.500111.8T312 L317 L318T312-Q314 PolarHBondContact O-N 3.29Å; Q314-L317 PolarHBondContact O-N 3.04Å; Q314-L318 WeakPolarHBondContact O-CB 3.25Å; Q314-L318 PolarHBondContact O-N 3.28Å
315N91.6Very high92.6Very high44 Ų4459.7 Ų59.724%0.23533%0.325CS..Hα-helixtrans-69.9-37.1-179-67.5-21.5000111.5Q37 T312 L318 M319Q37-N315 VanDerWaalsContact CD-ND2 3.26Å; Q37-N315 PolarHBondContact OE1-ND2 3.46Å; T312-N315 PolarHBondContact O-N 3.43Å; T312-N315 VanDerWaalsContact O-N 3.1Å; T312-N315 WeakPolarHBondContact OG1-CB 3.43Å; T312-N315 PolarHBondContact OG1-N 3.01Å; T312-N315 VanDerWaalsContact OG1-N 3.08Å; T312-N315 PolarHBondContact OG1-ND2 3.27Å; T312-N315 VanDerWaalsContact OG1-ND2 3.09Å; N315-L318 PolarHBondContact O-N 3.36Å; N315-M319 HydrophobicContact CB-CE 4.09Å; N315-M319 VanDerWaalsContact O-CG 3.28Å; N315-M319 WeakPolarHBondContact O-CG 3.3Å; N315-M319 PolarHBondContact O-N 3.04Å
316I95.1Very high92.8Very high24 Ų2456.7 Ų56.712%0.12331%0.307CS..Hα-helixtrans-60.3-47.9170.7-66.2171.2000110.3V293 V297 L311 T312 T313 L318 M319 V320V293-I316 HydrophobicContact CG1-CG2 3.87Å; V293-I316 HydrophobicContact CG2-CG2 3.92Å; V297-I316 HydrophobicContact CG2-CD1 4.06Å; L311-I316 HydrophobicContact CB-CD1 4.2Å; L311-I316 HydrophobicContact CB-CG1 4.14Å; L311-I316 HydrophobicContact CD1-CG1 4.4Å; T312-I316 WeakPolarHBondContact O-CG1 3.43Å; T312-I316 PolarHBondContact O-N 2.81Å; T313-I316 PolarHBondContact O-N 3.33Å; I316-L318 VanDerWaalsContact C-N 3.33Å; I316-L318 PolarHBondContact O-N 3.16Å; I316-M319 PolarHBondContact O-N 2.76Å; I316-V320 HydrophobicContact CG2-CG2 4.27Å; I316-V320 VanDerWaalsContact O-CG2 3.26Å; I316-V320 WeakPolarHBondContact O-CG2 3.26Å; I316-V320 PolarHBondContact O-N 3.26Å
317L95.3Very high92.9Very high126 Ų12653.8 Ų53.866%0.6629%0.289SS*.Hα-helixtrans-60.8-43-179.6-133.488.2000112T313 Q314 V320 G321T313-L317 WeakPolarHBondContact O-CB 3.49Å; T313-L317 PolarHBondContact O-N 2.82Å; Q314-L317 PolarHBondContact O-N 3.04Å; L317-V320 PolarHBondContact O-N 2.87Å; L317-G321 PolarHBondContact O-N 3.48Å
318L93.6Very high92.7Very high106 Ų10654.4 Ų54.456%0.55529%0.293SS*.Hα-helixtrans-58.9-48.2176.1-177.2116.6000110.7Q314 N315 I316 G321 I322Q314-L318 WeakPolarHBondContact O-CB 3.25Å; Q314-L318 PolarHBondContact O-N 3.28Å; N315-L318 PolarHBondContact O-N 3.36Å; I316-L318 VanDerWaalsContact C-N 3.33Å; I316-L318 PolarHBondContact O-N 3.16Å; L318-G321 PolarHBondContact O-N 2.88Å; L318-I322 HydrophobicContact CD2-CD1 3.82Å; L318-I322 HydrophobicContact CG-CD1 4.2Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å; L318-I322 PolarHBondContact O-N 3.46Å
319M92.4Very high92.6Very high4 Ų457.7 Ų57.72%0.0231%0.309CS..Hα-helixtrans-65.7-40.2179.7-68.5-179.2-139.900112.7L30 S33 F238 L311 N315 I316 G321 I322 F323L30-M319 HydrophobicContact CD2-CB 4.01Å; L30-M319 HydrophobicContact CD2-SD 3.69Å; S33-M319 WeakPolarHBondContact OG-CE 3.39Å; F238-M319 HydrophobicContact CZ-CB 4.21Å; F238-M319 HydrophobicContact CZ-CG 4.04Å; L311-M319 HydrophobicContact CD2-CE 3.85Å; N315-M319 HydrophobicContact CB-CE 4.09Å; N315-M319 VanDerWaalsContact O-CG 3.28Å; N315-M319 WeakPolarHBondContact O-CG 3.3Å; N315-M319 PolarHBondContact O-N 3.04Å; I316-M319 PolarHBondContact O-N 2.76Å; M319-G321 VanDerWaalsContact C-N 3.29Å; M319-G321 PolarHBondContact O-N 3.48Å; M319-I322 PolarHBondContact O-N 2.9Å; M319-F323 WeakPolarHBondContact O-CD2 3.08Å; M319-F323 PolarHBondContact O-N 3.27Å
320V94.2Very high92.1Very high43 Ų4356.3 Ų56.326%0.26130%0.303SS..Hα-helixtrans-59.3-44.1172.9172.70000110.2V289 V293 I316 L317 I322 F323 I324V289-V320 HydrophobicContact CG1-CB 4.36Å; V289-V320 HydrophobicContact CG1-CG1 4.29Å; V289-V320 HydrophobicContact CG1-CG2 3.78Å; V293-V320 HydrophobicContact CG2-CG2 4.01Å; I316-V320 HydrophobicContact CG2-CG2 4.27Å; I316-V320 VanDerWaalsContact O-CG2 3.26Å; I316-V320 WeakPolarHBondContact O-CG2 3.26Å; I316-V320 PolarHBondContact O-N 3.26Å; L317-V320 PolarHBondContact O-N 2.87Å; V320-I322 PolarHBondContact O-N 2.94Å; V320-F323 PolarHBondContact O-N 3.32Å; V320-I324 HydrophobicContact CG1-CD1 4.02Å; V320-I324 WeakPolarHBondContact O-CG1 3.39Å; V320-I324 PolarHBondContact O-N 3.13Å
321G94.5Very high91.6Very high37 Ų3752.7 Ų52.738%0.38129%0.289SS..Hα-helixtrans-58.8-44.517500000112.7L317 L318 M319 I324 L325L317-G321 PolarHBondContact O-N 3.48Å; L318-G321 PolarHBondContact O-N 2.88Å; M319-G321 VanDerWaalsContact C-N 3.29Å; M319-G321 PolarHBondContact O-N 3.48Å; G321-I324 PolarHBondContact O-N 2.9Å; G321-L325 WeakPolarHBondContact O-CB 3.27Å; G321-L325 PolarHBondContact O-N 3.32Å
322I93.3Very high91.2Very high54 Ų5453.9 Ų53.928%0.27730%0.3SS..Hα-helixtrans-63.8-43176.8-63.7165.4000110.7F238 L318 M319 V320 I324 L325 V326F238-I322 HydrophobicContact CD1-CB 4.27Å; F238-I322 HydrophobicContact CD1-CG2 3.32Å; F238-I322 HydrophobicContact CD2-CG2 4.31Å; F238-I322 HydrophobicContact CE1-CB 3.77Å; F238-I322 HydrophobicContact CE1-CG2 3.34Å; F238-I322 HydrophobicContact CE2-CD1 4.01Å; F238-I322 HydrophobicContact CE2-CG2 4.33Å; F238-I322 HydrophobicContact CG-CG2 3.83Å; F238-I322 HydrophobicContact CZ-CB 4.01Å; F238-I322 HydrophobicContact CZ-CD1 3.98Å; F238-I322 HydrophobicContact CZ-CG2 3.87Å; L318-I322 HydrophobicContact CD2-CD1 3.82Å; L318-I322 HydrophobicContact CG-CD1 4.2Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å; L318-I322 PolarHBondContact O-N 3.46Å; M319-I322 PolarHBondContact O-N 2.9Å; V320-I322 PolarHBondContact O-N 2.94Å; I322-I324 VanDerWaalsContact C-N 3.33Å; I322-I324 PolarHBondContact O-N 2.94Å; I322-L325 PolarHBondContact O-N 3.19Å; I322-V326 HydrophobicContact CG2-CG2 4.12Å; I322-V326 WeakPolarHBondContact O-CB 3.3Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.4Å; I322-V326 PolarHBondContact O-N 3Å
323F92.8Very high90.6Very high1 Ų157 Ų570%0.00432%0.315CS..Hα-helixtrans-59.2-43.5176.2-100-78.1000112.6S26 V29 F238 T241 L245 V289 M319 V320 V326 A327S26-F323 WeakPolarHBondContact OG-CE1 3.5Å; S26-F323 WeakPolarHBondContact OG-CZ 3.35Å; V29-F323 HydrophobicContact CB-CE2 3.96Å; V29-F323 HydrophobicContact CB-CZ 4.16Å; V29-F323 HydrophobicContact CG1-CE2 4.04Å; V29-F323 HydrophobicContact CG2-CE2 4.28Å; V29-F323 HydrophobicContact CG2-CZ 4.04Å; F238-F323 AromaticContact CE1-CD2 3.95Å; F238-F323 HydrophobicContact CE1-CD2 3.95Å; F238-F323 AromaticContact CE1-CE2 3.92Å; F238-F323 HydrophobicContact CE1-CE2 3.92Å; T241-F323 HydrophobicContact CG2-CD1 4.16Å; T241-F323 HydrophobicContact CG2-CE1 3.39Å; T241-F323 HydrophobicContact CG2-CZ 3.86Å; L245-F323 HydrophobicContact CD1-CD1 4.45Å; V289-F323 HydrophobicContact CG2-CB 3.82Å; V289-F323 HydrophobicContact CG2-CD1 3.92Å; V289-F323 HydrophobicContact CG2-CD2 4.46Å; V289-F323 HydrophobicContact CG2-CG 3.81Å; M319-F323 WeakPolarHBondContact O-CD2 3.08Å; M319-F323 PolarHBondContact O-N 3.27Å; V320-F323 PolarHBondContact O-N 3.32Å; F323-V326 PolarHBondContact O-N 3.46Å; F323-A327 VanDerWaalsContact O-CB 3.32Å; F323-A327 WeakPolarHBondContact O-CB 3.25Å; F323-A327 PolarHBondContact O-N 2.9Å
324I92.3Very high89.8Confident51 Ų5151.6 Ų51.626%0.26228%0.282SS..Hα-helixtrans-63.4-45.3176.7-68.5168.8000110.3L282 V320 G321 I322 V326 A327 I328L282-I324 HydrophobicContact CD2-CG2 3.9Å; V320-I324 HydrophobicContact CG1-CD1 4.02Å; V320-I324 WeakPolarHBondContact O-CG1 3.39Å; V320-I324 PolarHBondContact O-N 3.13Å; G321-I324 PolarHBondContact O-N 2.9Å; I322-I324 VanDerWaalsContact C-N 3.33Å; I322-I324 PolarHBondContact O-N 2.94Å; I324-V326 PolarHBondContact O-N 3.19Å; I324-A327 PolarHBondContact O-N 3.39Å; I324-I328 HydrophobicContact CG2-CD1 3.91Å; I324-I328 VanDerWaalsContact O-CG1 3.3Å; I324-I328 WeakPolarHBondContact O-CG1 3.46Å; I324-I328 PolarHBondContact O-N 3.34Å
325L92.7Very high89.1Confident102 Ų10245.4 Ų45.453%0.53425%0.252SS..Hα-helixtrans-60.3-47.9178.6-171.4152.8000111.1G321 I322 A327 I328 L329G321-L325 WeakPolarHBondContact O-CB 3.27Å; G321-L325 PolarHBondContact O-N 3.32Å; I322-L325 PolarHBondContact O-N 3.19Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 3.16Å; L325-I328 PolarHBondContact O-N 3.49Å; L325-L329 HydrophobicContact CD2-CD1 3.57Å; L325-L329 HydrophobicContact CD2-CG 4.16Å; L325-L329 WeakPolarHBondContact O-CG 3.49Å; L325-L329 PolarHBondContact O-N 2.67Å
326V91Very high88.1Confident11 Ų1148.6 Ų48.67%0.06727%0.268CS..Hα-helixtrans-60.4-42176.5167.50000111.4A242 L245 I322 F323 I324 I328 L329 G330A242-V326 HydrophobicContact CB-CB 4.46Å; A242-V326 HydrophobicContact CB-CG1 3.46Å; A242-V326 VanDerWaalsContact CB-CG1 3.46Å; A242-V326 HydrophobicContact CB-CG2 4.22Å; L245-V326 HydrophobicContact CD1-CG1 4.24Å; I322-V326 HydrophobicContact CG2-CG2 4.12Å; I322-V326 WeakPolarHBondContact O-CB 3.3Å; I322-V326 VanDerWaalsContact O-CG2 3.27Å; I322-V326 WeakPolarHBondContact O-CG2 3.4Å; I322-V326 PolarHBondContact O-N 3Å; F323-V326 PolarHBondContact O-N 3.46Å; I324-V326 PolarHBondContact O-N 3.19Å; V326-I328 VanDerWaalsContact C-N 3.35Å; V326-I328 PolarHBondContact O-N 3.43Å; V326-L329 PolarHBondContact O-N 2.91Å; V326-G330 PolarHBondContact O-N 3.24Å
327A89.2Confident86.7Confident0 Ų051.9 Ų51.90%028%0.282CS..Hα-helixtrans-64.5-39.3177.700000112.4F249 I281 T285 F323 I324 L325 G330 A331F249-A327 HydrophobicContact CE2-CB 4.21Å; I281-A327 HydrophobicContact CG2-CB 4.21Å; T285-A327 HydrophobicContact CG2-CB 3.77Å; T285-A327 WeakPolarHBondContact OG1-CB 3.43Å; F323-A327 VanDerWaalsContact O-CB 3.32Å; F323-A327 WeakPolarHBondContact O-CB 3.25Å; F323-A327 PolarHBondContact O-N 2.9Å; I324-A327 PolarHBondContact O-N 3.39Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 3.16Å; A327-G330 PolarHBondContact O-N 2.88Å; A327-A331 VanDerWaalsContact O-CB 3.29Å; A327-A331 WeakPolarHBondContact O-CB 3.5Å; A327-A331 PolarHBondContact O-N 3.39Å
328I89.2Confident85.2Confident69 Ų6946 Ų4635%0.35425%0.251SS..Hα-helixtrans-64.4-43.8175.1-68166000110.8L282 I324 L325 V326 A331 S332L282-I328 HydrophobicContact CD2-CD1 4.18Å; L282-I328 HydrophobicContact CD2-CG1 3.83Å; I324-I328 HydrophobicContact CG2-CD1 3.91Å; I324-I328 VanDerWaalsContact O-CG1 3.3Å; I324-I328 WeakPolarHBondContact O-CG1 3.46Å; I324-I328 PolarHBondContact O-N 3.34Å; L325-I328 PolarHBondContact O-N 3.49Å; V326-I328 VanDerWaalsContact C-N 3.35Å; V326-I328 PolarHBondContact O-N 3.43Å; I328-A331 PolarHBondContact O-N 3.05Å; I328-S332 WeakPolarHBondContact O-CB 3.37Å; I328-S332 PolarHBondContact O-N 2.98Å; I328-S332 PolarHBondContact O-OG 2.79Å
329L88Confident83.9Confident99 Ų9947.3 Ų47.352%0.51825%0.252SS..Hα-helixtrans-62.6-46.9176.7-70.4178.4000111.5L325 V326 A331 S332 L333L325-L329 HydrophobicContact CD2-CD1 3.57Å; L325-L329 HydrophobicContact CD2-CG 4.16Å; L325-L329 WeakPolarHBondContact O-CG 3.49Å; L325-L329 PolarHBondContact O-N 2.67Å; V326-L329 PolarHBondContact O-N 2.91Å; L329-A331 PolarHBondContact O-N 3.29Å; L329-S332 PolarHBondContact O-N 3.07Å; L329-L333 PolarHBondContact O-N 3.39Å
330G84Confident82.7Confident2 Ų255.3 Ų55.32%0.02129%0.287CS..Hα-helixtrans-62.9-39.6177.200000113.1V326 A327 S332 S334V326-G330 PolarHBondContact O-N 3.24Å; A327-G330 PolarHBondContact O-N 2.88Å; G330-S332 VanDerWaalsContact C-N 3.35Å; G330-S334 PolarHBondContact O-N 3.46Å; G330-S334 PolarHBondContact O-OG 3.23Å
331A82.2Confident81.1Confident1 Ų153.9 Ų53.91%0.00828%0.278CS..Hα-helixtrans-61.6-44.1172.800000111.4I281 A327 I328 L329 L333 S334 F335I281-A331 HydrophobicContact CB-CB 4.48Å; I281-A331 HydrophobicContact CD1-CB 3.49Å; I281-A331 VanDerWaalsContact CD1-CB 3.49Å; I281-A331 HydrophobicContact CG2-CB 4.21Å; A327-A331 VanDerWaalsContact O-CB 3.29Å; A327-A331 WeakPolarHBondContact O-CB 3.5Å; A327-A331 PolarHBondContact O-N 3.39Å; I328-A331 PolarHBondContact O-N 3.05Å; L329-A331 PolarHBondContact O-N 3.29Å; A331-L333 PolarHBondContact O-N 3.08Å; A331-S334 VanDerWaalsContact O-CB 3.28Å; A331-S334 WeakPolarHBondContact O-CB 3.39Å; A331-S334 PolarHBondContact O-N 2.99Å; A331-S334 VanDerWaalsContact O-N 3.09Å; A331-F335 HydrophobicContact CB-CZ 4.07Å; A331-F335 VanDerWaalsContact O-CD1 3.27Å; A331-F335 WeakPolarHBondContact O-CD1 3.47Å; A331-F335 VanDerWaalsContact O-CE1 3.25Å; A331-F335 WeakPolarHBondContact O-CE1 3.41Å; A331-F335 WeakPolarHBondContact O-CG 3.36Å; A331-F335 WeakPolarHBondContact O-CZ 3.34Å; A331-F335 PolarHBondContact O-N 2.84Å
332S83.9Confident79.6Confident57 Ų5757 Ų5740%0.39929%0.287SS..Hα-helixtrans-63.3-43-178.3-590000112.2I328 L329 G330 S334 F335I328-S332 WeakPolarHBondContact O-CB 3.37Å; I328-S332 PolarHBondContact O-N 2.98Å; I328-S332 PolarHBondContact O-OG 2.79Å; L329-S332 PolarHBondContact O-N 3.07Å; G330-S332 VanDerWaalsContact C-N 3.35Å; S332-S334 PolarHBondContact O-N 3.29Å; S332-F335 WeakPolarHBondContact O-CB 3.18Å; S332-F335 PolarHBondContact O-N 3.06Å; S332-F335 VanDerWaalsContact O-N 3.1Å
333L80.1Confident78.2Confident100 Ų10056.2 Ų56.252%0.52428%0.284SS..Hα-helixtrans-58.7-35.3173.3-96.1141.3000112.4L329 A331 F335 I336L329-L333 PolarHBondContact O-N 3.39Å; A331-L333 PolarHBondContact O-N 3.08Å; L333-F335 PolarHBondContact O-N 3.1Å; L333-I336 HydrophobicContact CD2-CD1 4.48Å
334S77.5Confident76.6Confident0 Ų061.9 Ų61.90%031%0.314CS..Hα-helixtrans-67.9-22.3178.8-550000113F249 Y250 T253 G330 A331 S332 I336F249-S334 WeakPolarHBondContact CB-OG 3.1Å; Y250-S334 WeakPolarHBondContact CA-OG 3.18Å; Y250-S334 PolarHBondContact N-OG 3.36Å; T253-S334 WeakPolarHBondContact OG1-CB 3.42Å; G330-S334 PolarHBondContact O-N 3.46Å; G330-S334 PolarHBondContact O-OG 3.23Å; A331-S334 VanDerWaalsContact O-CB 3.28Å; A331-S334 WeakPolarHBondContact O-CB 3.39Å; A331-S334 PolarHBondContact O-N 2.99Å; A331-S334 VanDerWaalsContact O-N 3.09Å; S332-S334 PolarHBondContact O-N 3.29Å; S334-I336 PolarHBondContact O-N 3.28Å
335F78.2Confident75.3Confident23 Ų2365.9 Ų65.910%0.10133%0.331CS..Hα-helixtrans-74.2-22.9-177.5-57.9-25.8000114.6L274 L277 V278 A331 S332 L333 K337 L338 F339L274-F335 HydrophobicContact CD2-CB 3.67Å; L274-F335 HydrophobicContact CD2-CD1 3.26Å; L274-F335 HydrophobicContact CD2-CD2 3.92Å; L274-F335 HydrophobicContact CD2-CE1 3.85Å; L274-F335 HydrophobicContact CD2-CE2 4.43Å; L274-F335 HydrophobicContact CD2-CG 3.34Å; L274-F335 HydrophobicContact CD2-CZ 4.42Å; L277-F335 HydrophobicContact CB-CE1 4.35Å; L277-F335 HydrophobicContact CD2-CE1 3.7Å; V278-F335 HydrophobicContact CB-CZ 4.46Å; V278-F335 HydrophobicContact CG2-CE1 4.43Å; V278-F335 HydrophobicContact CG2-CE2 3.6Å; V278-F335 HydrophobicContact CG2-CZ 3.26Å; A331-F335 HydrophobicContact CB-CZ 4.07Å; A331-F335 VanDerWaalsContact O-CD1 3.27Å; A331-F335 WeakPolarHBondContact O-CD1 3.47Å; A331-F335 VanDerWaalsContact O-CE1 3.25Å; A331-F335 WeakPolarHBondContact O-CE1 3.41Å; A331-F335 WeakPolarHBondContact O-CG 3.36Å; A331-F335 WeakPolarHBondContact O-CZ 3.34Å; A331-F335 PolarHBondContact O-N 2.84Å; S332-F335 WeakPolarHBondContact O-CB 3.18Å; S332-F335 PolarHBondContact O-N 3.06Å; S332-F335 VanDerWaalsContact O-N 3.1Å; L333-F335 PolarHBondContact O-N 3.1Å; F335-K337 PolarHBondContact O-N 3.08Å; F335-K337 VanDerWaalsContact O-N 3.08Å; F335-L338 WeakPolarHBondContact O-CA 3.2Å; F335-L338 WeakPolarHBondContact O-CB 3.38Å; F335-L338 PolarHBondContact O-N 3.44Å; F335-F339 HydrophobicContact CB-CD2 4.35Å; F335-F339 HydrophobicContact CB-CE2 3.99Å; F335-F339 WeakPolarHBondContact O-CD2 3.42Å; F335-F339 PolarHBondContact O-N 3.07Å
336I71.3Confident73.7Confident111 Ų11161.8 Ų61.857%0.56931%0.312SS*.Hα-helixtrans-52.1-38.4-178.8-62.6173.1000110.5L333 S334L333-I336 HydrophobicContact CD2-CD1 4.48Å; S334-I336 PolarHBondContact O-N 3.28Å
337K64.6Low72.3Confident93 Ų9365.9 Ų65.940%0.40433%0.332SS..Hα-helixtrans-79.1-30.1179.3-146.8149.6-172.61790113Y250 I254 F335 F339 K340 V341Y250-K337 HydrophobicContact CE2-CB 4.27Å; Y250-K337 HydrophobicContact CE2-CD 3.71Å; Y250-K337 VanDerWaalsContact OH-CD 3.25Å; Y250-K337 WeakPolarHBondContact OH-CD 3.4Å; Y250-K337 PolarHBondContact OH-NZ 3Å; I254-K337 HydrophobicContact CD1-CD 4.28Å; I254-K337 HydrophobicContact CG1-CD 4.32Å; F335-K337 PolarHBondContact O-N 3.08Å; F335-K337 VanDerWaalsContact O-N 3.08Å; K337-F339 PolarHBondContact O-N 3.39Å; K337-K340 PolarHBondContact O-N 3.47Å; K337-V341 WeakPolarHBondContact O-CG2 3.46Å
338L64.5Low70.9Confident3 Ų368 Ų682%0.01635%0.354CS..Hα-helixtrans-67.7-34.7179.6-151.883.7000113T253 I260 L274 F335 K340 V341T253-L338 HydrophobicContact CG2-CB 4.49Å; T253-L338 HydrophobicContact CG2-CD1 3.69Å; I260-L338 HydrophobicContact CD1-CD1 3.38Å; I260-L338 HydrophobicContact CD1-CD2 4.33Å; I260-L338 HydrophobicContact CD1-CG 4.42Å; I260-L338 HydrophobicContact CG2-CD1 4.12Å; I260-L338 HydrophobicContact CG2-CD2 4.41Å; I260-L338 HydrophobicContact CG2-CG 4.39Å; L274-L338 HydrophobicContact CD2-CB 4.22Å; L274-L338 HydrophobicContact CD2-CD2 3.38Å; L274-L338 HydrophobicContact CD2-CG 4.41Å; L274-L338 HydrophobicContact CG-CD2 3.89Å; F335-L338 WeakPolarHBondContact O-CA 3.2Å; F335-L338 WeakPolarHBondContact O-CB 3.38Å; F335-L338 PolarHBondContact O-N 3.44Å; L338-K340 PolarHBondContact O-N 2.96Å; L338-V341 PolarHBondContact O-N 3.37Å
339F67.1Low69.3Low132 Ų13267.4 Ų67.458%0.57937%0.365SS*.Hα-helixtrans-64.9-28.8177.4-75.7-71.8000113T270 L274 F335 K337T270-F339 HydrophobicContact CG2-CD1 4.37Å; T270-F339 HydrophobicContact CG2-CE1 4.42Å; L274-F339 HydrophobicContact CD1-CE1 3.69Å; L274-F339 HydrophobicContact CD1-CE2 3.96Å; L274-F339 HydrophobicContact CD1-CZ 3.32Å; F335-F339 HydrophobicContact CB-CD2 4.35Å; F335-F339 HydrophobicContact CB-CE2 3.99Å; F335-F339 WeakPolarHBondContact O-CD2 3.42Å; F335-F339 PolarHBondContact O-N 3.07Å; K337-F339 PolarHBondContact O-N 3.39Å
340K66.7Low67.7Low173 Ų17366.3 Ų66.375%0.75237%0.37SS*.THydrogen-bonded Turntrans-87.3-2.6-179.5-70.1-170.7175.3-171.90114.5K337 L338 D342K337-K340 PolarHBondContact O-N 3.47Å; L338-K340 PolarHBondContact O-N 2.96Å; K340-D342 PolarHBondContact O-N 3.36Å
341V60.7Low65.6Low13 Ų1378 Ų788%0.07943%0.425CS..  trans-76.6111.1-179-179.60000109.8I257 K264 K337 L338 A346I257-V341 HydrophobicContact CD1-CG2 4.3Å; I257-V341 HydrophobicContact CG1-CG2 4.09Å; I257-V341 HydrophobicContact CG2-CG1 3.79Å; I257-V341 HydrophobicContact CG2-CG2 4.02Å; K264-V341 PolarHBondContact NZ-O 2.88Å; K337-V341 WeakPolarHBondContact O-CG2 3.46Å; L338-V341 PolarHBondContact O-N 3.37Å; V341-A346 HydrophobicContact CG1-CB 3.78Å
342D62.1Low64.8Low103 Ų10381.9 Ų81.955%0.55145%0.445SS*.  trans-80.4135.5167.2-97.8-36.5000111.1K340 I344 E345 A346K340-D342 PolarHBondContact O-N 3.36Å; D342-I344 PolarHBondContact O-N 3.38Å; D342-E345 PolarHBondContact O-N 3.04Å; D342-A346 PolarHBondContact O-N 2.73Å; D342-A346 VanDerWaalsContact O-N 3.15Å
343P63.7Low63.8Low36 Ų3683.2 Ų83.223%0.23445%0.448CS..Hα-helixtrans-59.1-32.6-175.7-2030000113.3K264 A265 I347K264-P343 HydrophobicContact CD-CG 4.18Å; K264-P343 HydrophobicContact CG-CG 4.24Å; A265-P343 HydrophobicContact CB-CB 4.47Å; P343-I347 WeakPolarHBondContact O-CG1 3.39Å; P343-I347 PolarHBondContact O-N 3.41Å
344I60.6Low62.9Low120 Ų12082.2 Ų82.262%0.61544%0.444SS*.Hα-helixtrans-69.7-44.9-179.6-77.5168.3000111.2D342 A346 I347 G348 G349D342-I344 PolarHBondContact O-N 3.38Å; I344-A346 VanDerWaalsContact C-N 3.31Å; I344-A346 PolarHBondContact O-N 3.32Å; I344-I347 PolarHBondContact O-N 2.82Å; I344-G348 PolarHBondContact O-N 3.22Å; I344-G349 PolarHBondContact O-N 3.19Å
345E64Low62Low136 Ų13687.1 Ų87.164%0.63647%0.47SS*.Hα-helixtrans-63.5-37.7175-82.1-174.3157.300111.8D342 I347 G348D342-E345 PolarHBondContact O-N 3.04Å; E345-I347 VanDerWaalsContact C-N 3.28Å; E345-I347 PolarHBondContact O-N 2.93Å; E345-G348 PolarHBondContact O-N 3.4Å
346A59.8Low61Low15 Ų1591.1 Ų91.112%0.12449%0.493CS..Hα-helixtrans-71.7-20.4-176.600000114.5I257 V341 D342 I344I257-A346 HydrophobicContact CG2-CB 4.2Å; V341-A346 HydrophobicContact CG1-CB 3.78Å; D342-A346 PolarHBondContact O-N 2.73Å; D342-A346 VanDerWaalsContact O-N 3.15Å; I344-A346 VanDerWaalsContact C-N 3.31Å; I344-A346 PolarHBondContact O-N 3.32Å
347I61.1Low60.3Low97 Ų9789.7 Ų89.750%0.49749%0.488SS..Hα-helixtrans-95.8-6.5177.9-64.5173.1000111.1I262 A265 P343 I344 E345I262-I347 HydrophobicContact CG1-CG1 4.25Å; A265-I347 HydrophobicContact CB-CD1 3.89Å; P343-I347 WeakPolarHBondContact O-CG1 3.39Å; P343-I347 PolarHBondContact O-N 3.41Å; I344-I347 PolarHBondContact O-N 2.82Å; E345-I347 VanDerWaalsContact C-N 3.28Å; E345-I347 PolarHBondContact O-N 2.93Å
348G60Low60Low45 Ų4589.5 Ų89.546%0.46449%0.494SS..THydrogen-bonded Turntrans78.827.1-175.600000112.8I344 E345 A350 E351I344-G348 PolarHBondContact O-N 3.22Å; E345-G348 PolarHBondContact O-N 3.4Å; G348-A350 PolarHBondContact O-N 2.76Å; G348-E351 VanDerWaalsContact O-OXT 3.06Å
349G55.9Low59.7Low56 Ų5696.2 Ų96.258%0.57753%0.53SS*.THydrogen-bonded Turntrans-82.817.4-178.400000115.2I344I344-G349 PolarHBondContact O-N 3.19Å
350A54.6Low59.1Low76 Ų7693.2 Ų93.263%0.62853%0.526SS*.THydrogen-bonded Turntrans-114.8-7.3-177.900000114.2G348G348-A350 PolarHBondContact O-N 2.76Å
351E39.5Very low58.4Low248 Ų24885.9 Ų85.9100%1.15951%0.506SS*.  trans-149.40170.8-67.2-171.4160.700109G348G348-E351 VanDerWaalsContact O-OXT 3.06Å

Retrieved 351 of 351 residues in 947.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).