BLI_ONCVO Loading...

Endoprotease bli

Serine endoprotease which cleaves substrates at the RX(K/R)R consensus motif.

AlphaFold DB , UniProt , Accession A0A044RE18, Species ONCVO (Onchocerca volvulus), Gene Bli, Length 693 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.9Very low39.9Very low186 Ų186129.7 Ų129.792%0.91661%0.605SS**  0-58.90-118.1170.777.200112.9W3 Q4 L5M1-W3 PolarHBondContact O-N 3.38Å; M1-Q4 PolarHBondContact O-N 3.34Å; M1-Q4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.13Å
2Y39.8Very low39.7Very low191 Ų191129.3 Ų129.375%0.74960%0.6SS**Hα-helixtrans-56.7-42.8-177.5-152.9-98.2000113.9Q4 L5 V6Y2-Q4 PolarHBondContact O-N 3.41Å; Y2-L5 PolarHBondContact O-N 3.3Å; Y2-V6 HydrophobicContact CD1-CG2 4.26Å; Y2-V6 HydrophobicContact CE1-CG2 4.29Å; Y2-V6 WeakPolarHBondContact O-CG2 3.41Å; Y2-V6 PolarHBondContact O-N 3.05Å
3W36.4Very low39.5Very low205 Ų205126.9 Ų126.978%0.77759%0.594SS**Hα-helixtrans-67.2-28.6176.9-84.483.6000115M1 R7M1-W3 PolarHBondContact O-N 3.38Å; W3-R7 PolarHBondContact O-N 3.38Å
4Q38.5Very low39.8Very low138 Ų138120.6 Ų120.665%0.64557%0.57SS**Hα-helixtrans-75.6-38.5174.1-82.8179.3-29.800111M1 Y2 R7 I8M1-Q4 PolarHBondContact O-N 3.34Å; M1-Q4 VanDerWaalsContact O-N 3.11Å; Y2-Q4 PolarHBondContact O-N 3.41Å; Q4-R7 PolarHBondContact O-N 2.88Å; Q4-I8 WeakPolarHBondContact O-CD1 3.1Å; Q4-I8 VanDerWaalsContact O-CG1 3.25Å; Q4-I8 WeakPolarHBondContact O-CG1 3.44Å; Q4-I8 PolarHBondContact O-N 3.31Å
5L35.7Very low39.8Very low90 Ų90118.7 Ų118.747%0.47157%0.565SS.*Hα-helixtrans-62.9-42.9175.1-87.4150.2000112.3M1 Y2 I8 L9M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.13Å; Y2-L5 PolarHBondContact O-N 3.3Å; L5-I8 PolarHBondContact O-N 3.48Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.35Å; L5-L9 PolarHBondContact O-N 3.13Å
6V39.4Very low39.7Very low68 Ų68119.2 Ų119.241%0.41257%0.566SS.*Hα-helixtrans-64.6-41.4176.7174.70000111.7Y2 I8 L9 V10Y2-V6 HydrophobicContact CD1-CG2 4.26Å; Y2-V6 HydrophobicContact CE1-CG2 4.29Å; Y2-V6 WeakPolarHBondContact O-CG2 3.41Å; Y2-V6 PolarHBondContact O-N 3.05Å; V6-I8 PolarHBondContact O-N 3.11Å; V6-L9 PolarHBondContact O-N 3.01Å; V6-V10 HydrophobicContact CG1-CG2 4.34Å; V6-V10 WeakPolarHBondContact O-CG2 3.25Å; V6-V10 PolarHBondContact O-N 3.31Å
7R38.8Very low40.1Very low176 Ų176115.3 Ų115.366%0.66455%0.546SS*.Hα-helixtrans-63.6-40.8175.1-78.3-175.1177.8-173-0.5112.4W3 Q4 L11W3-R7 PolarHBondContact O-N 3.38Å; Q4-R7 PolarHBondContact O-N 2.88Å; R7-L11 VanDerWaalsContact O-CB 3.29Å; R7-L11 WeakPolarHBondContact O-CB 3.45Å; R7-L11 WeakPolarHBondContact O-CD1 3.27Å; R7-L11 VanDerWaalsContact O-CG 3.24Å; R7-L11 WeakPolarHBondContact O-CG 3.43Å; R7-L11 PolarHBondContact O-N 3.32Å
8I42.3Very low40.5Very low90 Ų90112.1 Ų112.146%0.46253%0.532SS..Hα-helixtrans-64.4-44.8176.1-68.5163.4000110Q4 L5 V6 L11 F12Q4-I8 WeakPolarHBondContact O-CD1 3.1Å; Q4-I8 VanDerWaalsContact O-CG1 3.25Å; Q4-I8 WeakPolarHBondContact O-CG1 3.44Å; Q4-I8 PolarHBondContact O-N 3.31Å; L5-I8 PolarHBondContact O-N 3.48Å; V6-I8 PolarHBondContact O-N 3.11Å; I8-L11 PolarHBondContact O-N 2.95Å; I8-F12 HydrophobicContact CG2-CD2 3.6Å; I8-F12 HydrophobicContact CG2-CE2 3.84Å; I8-F12 WeakPolarHBondContact O-CB 3.2Å; I8-F12 WeakPolarHBondContact O-CD2 3.47Å; I8-F12 PolarHBondContact O-N 3.46Å
9L35.5Very low40.9Very low111 Ų111112.1 Ų112.158%0.58154%0.535SS*.Hα-helixtrans-64.9-45.2180-76.8163.3000113L5 V6 L11 F12 D13L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.35Å; L5-L9 PolarHBondContact O-N 3.13Å; V6-L9 PolarHBondContact O-N 3.01Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 3.34Å; L9-D13 WeakPolarHBondContact O-CB 3.43Å; L9-D13 PolarHBondContact O-N 2.91Å
10V47Very low41.8Very low90 Ų90108.4 Ų108.455%0.54552%0.524SS..Hα-helixtrans-65.1-38.5176.8174.50000111.2V6 C14V6-V10 HydrophobicContact CG1-CG2 4.34Å; V6-V10 WeakPolarHBondContact O-CG2 3.25Å; V6-V10 PolarHBondContact O-N 3.31Å; V10-C14 WeakPolarHBondContact O-CB 3.3Å; V10-C14 PolarHBondContact O-N 3.5Å
11L42.8Very low43Very low82 Ų82104.2 Ų104.243%0.42950%0.504SS..Hα-helixtrans-65.2-43.5172.9-76.3166.8000111.3R7 I8 L9 L15R7-L11 VanDerWaalsContact O-CB 3.29Å; R7-L11 WeakPolarHBondContact O-CB 3.45Å; R7-L11 WeakPolarHBondContact O-CD1 3.27Å; R7-L11 VanDerWaalsContact O-CG 3.24Å; R7-L11 WeakPolarHBondContact O-CG 3.43Å; R7-L11 PolarHBondContact O-N 3.32Å; I8-L11 PolarHBondContact O-N 2.95Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.41Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 WeakPolarHBondContact O-CD1 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 2.86Å
12F37.3Very low44.4Very low125 Ų12598.9 Ų98.955%0.54848%0.477SS..Hα-helixtrans-64.3-39.2178.1-101.9-93000112.5I8 L9 L15 Q16I8-F12 HydrophobicContact CG2-CD2 3.6Å; I8-F12 HydrophobicContact CG2-CE2 3.84Å; I8-F12 WeakPolarHBondContact O-CB 3.2Å; I8-F12 WeakPolarHBondContact O-CD2 3.47Å; I8-F12 PolarHBondContact O-N 3.46Å; L9-F12 PolarHBondContact O-N 3.34Å; F12-L15 PolarHBondContact O-N 3.23Å; F12-Q16 WeakPolarHBondContact O-CB 3.32Å; F12-Q16 WeakPolarHBondContact O-CG 3.31Å; F12-Q16 PolarHBondContact O-N 3.33Å
13D37.6Very low46.4Very low98 Ų9890.3 Ų90.352%0.52444%0.444SS..Hα-helixtrans-73.6-40.3-179.5-148.425.2000111.2L9 Q16 K17L9-D13 WeakPolarHBondContact O-CB 3.43Å; L9-D13 PolarHBondContact O-N 2.91Å; D13-Q16 PolarHBondContact O-N 2.93Å; D13-K17 WeakPolarHBondContact O-CG 3.34Å; D13-K17 PolarHBondContact O-N 2.94Å
14C44Very low48.6Very low38 Ų3883.1 Ų83.126%0.25742%0.421SS..Hα-helixtrans-62-42.3168-81.20000111.9V10 K17 I18V10-C14 WeakPolarHBondContact O-CB 3.3Å; V10-C14 PolarHBondContact O-N 3.5Å; C14-K17 PolarHBondContact O-N 3.41Å; C14-I18 WeakPolarHBondContact O-CD1 3.42Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 3.48Å; C14-I18 VanDerWaalsContact O-N 3.14Å
15L39.5Very low50.6Low93 Ų9378.4 Ų78.449%0.48740%0.403SS..Hα-helixtrans-64.3-41.7176.1-90.8149.3000111.8L11 F12 I18 L19L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 WeakPolarHBondContact O-CD1 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 2.86Å; F12-L15 PolarHBondContact O-N 3.23Å; L15-I18 CarbonylContact O-C 3.51Å; L15-I18 PolarHBondContact O-N 2.81Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.28Å; L15-L19 PolarHBondContact O-N 2.84Å
16Q37.9Very low52.5Low126 Ų12678.5 Ų78.559%0.58940%0.403SS*.Hα-helixtrans-67-37.3176.8-79.9-167-23.100112.5F12 D13 I18 L19F12-Q16 WeakPolarHBondContact O-CB 3.32Å; F12-Q16 WeakPolarHBondContact O-CG 3.31Å; F12-Q16 PolarHBondContact O-N 3.33Å; D13-Q16 PolarHBondContact O-N 2.93Å; Q16-I18 VanDerWaalsContact C-N 3.26Å; Q16-I18 PolarHBondContact O-N 2.86Å; Q16-L19 PolarHBondContact O-N 2.55Å
17K46.2Very low54.2Low53 Ų5377 Ų7723%0.2340%0.395CS..Hα-helixtrans-62.7-33.1171.6-73.5-174.1178.7-172.30111.9D13 C14 D500D13-K17 WeakPolarHBondContact O-CG 3.34Å; D13-K17 PolarHBondContact O-N 2.94Å; C14-K17 PolarHBondContact O-N 3.41Å; K17-D500 VanDerWaalsContact NZ-CG 3.3Å; K17-D500 IonicContact NZ-OD1 3.1Å; K17-D500 PolarHBondContact NZ-OD1 3.43Å; K17-D500 IonicContact NZ-OD2 2.7Å; K17-D500 PolarHBondContact NZ-OD2 3.39Å
18I47.9Very low55.6Low57 Ų5773.1 Ų73.129%0.29239%0.386SS..Hα-helixtrans-81.6-25.4178.6-66.8165.9000113.1C14 L15 Q16 A20 I21C14-I18 WeakPolarHBondContact O-CD1 3.42Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 3.48Å; C14-I18 VanDerWaalsContact O-N 3.14Å; L15-I18 CarbonylContact O-C 3.51Å; L15-I18 PolarHBondContact O-N 2.81Å; Q16-I18 VanDerWaalsContact C-N 3.26Å; Q16-I18 PolarHBondContact O-N 2.86Å; I18-A20 PolarHBondContact O-N 2.88Å; I18-A20 VanDerWaalsContact O-N 3.15Å; I18-I21 HydrophobicContact CG2-CD1 3.92Å; I18-I21 WeakPolarHBondContact O-CG1 3.26Å; I18-I21 PolarHBondContact O-N 3.33Å
19L47.7Very low56.5Low113 Ų11371.6 Ų71.659%0.59239%0.388SS*.THydrogen-bonded Turntrans-68.9-9.7-178.7-79.1167.4000114.2L15 Q16L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.28Å; L15-L19 PolarHBondContact O-N 2.84Å; Q16-L19 PolarHBondContact O-N 2.55Å
20A59.6Low57.7Low38 Ų3874.1 Ų74.131%0.31440%0.402SS..THydrogen-bonded Turntrans-105.214.7179.600000114.2I18 E22 H580 K581I18-A20 PolarHBondContact O-N 2.88Å; I18-A20 VanDerWaalsContact O-N 3.15Å; A20-E22 PolarHBondContact O-N 3.37Å; A20-E22 VanDerWaalsContact O-N 3.13Å; A20-H580 PolarHBondContact O-CD2 3.02Å; A20-H580 VanDerWaalsContact O-CD2 3.31Å; A20-K581 HydrophobicContact CB-CD 4.38Å
21I66.8Low58.3Low21 Ų2174.8 Ų74.811%0.10841%0.406CS..  trans-63.6116.9175.2-62.7167.1000108.7I18 H23 W582 P583I18-I21 HydrophobicContact CG2-CD1 3.92Å; I18-I21 WeakPolarHBondContact O-CG1 3.26Å; I18-I21 PolarHBondContact O-N 3.33Å; I21-H23 PolarHBondContact O-N 3.46Å; I21-W582 HydrophobicContact CG2-CE3 3.56Å; I21-W582 HydrophobicContact CG2-CZ3 3.69Å; I21-P583 HydrophobicContact CD1-CG 4.02Å
22E71.1Confident59.3Low74 Ų7474 Ų7435%0.34640%0.402SS..  trans-75.9119.8175-169.2174.8179.200108.8A20 H580A20-E22 PolarHBondContact O-N 3.37Å; A20-E22 VanDerWaalsContact O-N 3.13Å; E22-H580 HydrophobicContact CB-CB 4.09Å; E22-H580 WeakPolarHBondContact OE2-CB 3.39Å
23H82.6Confident60.5Low11 Ų1176.6 Ų76.65%0.05142%0.421CS..  trans-105.7137168.1-54.7114.7000108.4I21 S25 I26 D310 G311 R317 W582I21-H23 PolarHBondContact O-N 3.46Å; H23-S25 PolarHBondContact O-N 3.01Å; H23-I26 HydrophobicContact CB-CD1 3.96Å; H23-I26 HydrophobicContact CB-CG1 4.04Å; H23-I26 PolarHBondContact O-N 2.87Å; H23-I26 VanDerWaalsContact O-N 3.12Å; H23-D310 WeakPolarHBondContact CB-OD1 3.16Å; H23-D310 IonicContact CD2-OD1 2.8Å; H23-D310 IonicContact CG-OD1 2.78Å; H23-G311 PolarHBondContact CD2-N 2.92Å; H23-G311 VanDerWaalsContact CD2-N 3.29Å; H23-R317 PolarHBondContact CE1-NH1 2.97Å; H23-W582 AromaticContact CD2-CZ3 3.86Å
24D83.4Confident62.2Low53 Ų5376.3 Ų76.328%0.28343%0.433SS..THydrogen-bonded Turntrans-65.2-18.6176.7-66.5-22.7000112I26 F309 R549 N575D24-I26 VanDerWaalsContact C-N 3.33Å; D24-F309 PolarHBondContact N-O 3.14Å; D24-F309 PolarHBondContact OD2-N 3.23Å; D24-R549 IonicContact OD1-CZ 3.45Å; D24-R549 IonicContact OD1-NH1 2.75Å; D24-R549 PolarHBondContact OD1-NH1 2.68Å; D24-R549 IonicContact OD1-NH2 3.21Å; D24-R549 IonicContact OD2-CZ 3.98Å; D24-R549 IonicContact OD2-NH1 3.36Å; D24-R549 PolarHBondContact OD2-NH1 3.26Å; D24-R549 IonicContact OD2-NH2 2.88Å; D24-R549 PolarHBondContact OD2-NH2 2.86Å; D24-N575 PolarHBondContact OD1-ND2 3.08Å
25S79.3Confident63.9Low39 Ų3975.8 Ų75.827%0.27343%0.429SS..THydrogen-bonded Turntrans-80-9.6176.670.10000114.3H23 C27 D310H23-S25 PolarHBondContact O-N 3.01Å; S25-C27 PolarHBondContact O-N 3.3Å; S25-D310 WeakPolarHBondContact CB-OD2 3.35Å; S25-D310 PolarHBondContact OG-OD1 2.92Å; S25-D310 PolarHBondContact OG-OD2 2.75Å
26I77Confident66.1Low92 Ų9274.1 Ų74.147%0.47242%0.424SS..  trans-74.3113.9176.9-67.4164.6000108.3H23 D24H23-I26 HydrophobicContact CB-CD1 3.96Å; H23-I26 HydrophobicContact CB-CG1 4.04Å; H23-I26 PolarHBondContact O-N 2.87Å; H23-I26 VanDerWaalsContact O-N 3.12Å; D24-I26 VanDerWaalsContact C-N 3.33Å
27C74.2Confident68.3Low36 Ų3673.8 Ų73.824%0.24342%0.422CS..  trans-108.5130.4178.7-166.20000110.4S25 D32 C35S25-C27 PolarHBondContact O-N 3.3Å; C27-D32 WeakPolarHBondContact SG-CB 3.34Å; C27-C35 HydrophobicContact CB-CB 3.93Å; C27-C35 WeakPolarHBondContact CB-SG 3.07Å; C27-C35 WeakPolarHBondContact SG-CA 3.47Å; C27-C35 WeakPolarHBondContact SG-CB 3.44Å; C27-C35 CovalentContact SG-SG 2.02Å; C27-C35 PolarHBondContact SG-SG 3.26Å
28I67.6Low70.4Confident95 Ų9573.1 Ų73.149%0.48742%0.423SS..  trans-99.2111.6179.7-58.4171.9000108.5D30 V31 D32 C35I28-D30 PolarHBondContact O-N 3.07Å; I28-V31 HydrophobicContact CB-CB 4.02Å; I28-V31 HydrophobicContact CB-CG2 4.14Å; I28-V31 HydrophobicContact CG2-CB 4.03Å; I28-V31 HydrophobicContact CG2-CG2 3.64Å; I28-V31 PolarHBondContact O-N 3.03Å; I28-D32 PolarHBondContact N-OD2 3.02Å; I28-D32 PolarHBondContact O-N 2.8Å; I28-C35 VanDerWaalsContact C-SG 3.54Å
29A61.1Low72.4Confident59 Ų5972.5 Ų72.549%0.48842%0.424SS..THydrogen-bonded Turntrans-58-17.6-171.700000116.2
30D61.2Low74.7Confident164 Ų16468.3 Ų68.388%0.87740%0.402SS*.THydrogen-bonded Turntrans-105.8-1.4178.9-61-39.3000113.5I28I28-D30 PolarHBondContact O-N 3.07Å
31V60.2Low76.4Confident104 Ų10467.6 Ų67.663%0.6339%0.393SS*.THydrogen-bonded Turntrans-118.2-36.6179.6-179.90000110.8I28I28-V31 HydrophobicContact CB-CB 4.02Å; I28-V31 HydrophobicContact CB-CG2 4.14Å; I28-V31 HydrophobicContact CG2-CB 4.03Å; I28-V31 HydrophobicContact CG2-CG2 3.64Å; I28-V31 PolarHBondContact O-N 3.03Å
32D63.9Low77.8Confident66 Ų6666.9 Ų66.935%0.35339%0.39SS..  trans-108.4106.7-175.2-57-46.6000110.1C27 I28 A34 C35C27-D32 WeakPolarHBondContact SG-CB 3.34Å; I28-D32 PolarHBondContact N-OD2 3.02Å; I28-D32 PolarHBondContact O-N 2.8Å; D32-A34 PolarHBondContact O-N 3.47Å; D32-C35 PolarHBondContact O-N 2.82Å; D32-C35 PolarHBondContact O-SG 3.42Å
33D61Low79Confident178 Ų17863.3 Ų63.395%0.95237%0.373SS*.THydrogen-bonded Turntrans-61.4-11.8-178.8-72.8-34.5000114
34A74.5Confident79.7Confident92 Ų9264.1 Ų64.176%0.7638%0.376SS*.THydrogen-bonded Turntrans-110.515.5-17200000114.8D32D32-A34 PolarHBondContact O-N 3.47Å
35C79.5Confident80.4Confident28 Ų2861.7 Ų61.719%0.18936%0.363CS..PPolyproline II helixtrans-62.6132.5179.9-65.40000112.5C27 I28 D32C27-C35 HydrophobicContact CB-CB 3.93Å; C27-C35 WeakPolarHBondContact CB-SG 3.07Å; C27-C35 WeakPolarHBondContact SG-CA 3.47Å; C27-C35 WeakPolarHBondContact SG-CB 3.44Å; C27-C35 CovalentContact SG-SG 2.02Å; C27-C35 PolarHBondContact SG-SG 3.26Å; I28-C35 VanDerWaalsContact C-SG 3.54Å; D32-C35 PolarHBondContact O-N 2.82Å; D32-C35 PolarHBondContact O-SG 3.42Å
36P84.6Confident81.2Confident58 Ų5866.1 Ų66.138%0.37737%0.374SS..PPolyproline II helixtrans-63.7149.3174.626.5-33.3000110.9R109 P110P36-R109 HydrophobicContact CG-CB 4.33Å; P36-R109 WeakPolarHBondContact O-CD 3.35Å; P36-R109 WeakPolarHBondContact O-CG 3.34Å; P36-R109 PolarHBondContact O-NE 3.3Å; P36-R109 VanDerWaalsContact O-NE 3.14Å; P36-P110 HydrophobicContact CB-CG 3.87Å; P36-P110 HydrophobicContact CG-CG 4.15Å
37E85.7Confident82.1Confident118 Ų11868.9 Ų68.955%0.55139%0.385SS*.PPolyproline II helixtrans-62.1146.5172.2-69.8-75.6153.100110.1S39 R86 P110E37-S39 PolarHBondContact O-N 2.96Å; E37-R86 IonicContact OE1-CZ 2.99Å; E37-R86 IonicContact OE1-NH1 3.59Å; E37-R86 IonicContact OE1-NH2 3.55Å; E37-R86 PolarHBondContact OE1-NH2 3.21Å; E37-R86 IonicContact OE2-CZ 2.56Å; E37-R86 IonicContact OE2-NH2 3.73Å; E37-R86 PolarHBondContact OE2-NH2 2.97Å; E37-P110 VanDerWaalsContact O-CD 3.29Å; E37-P110 WeakPolarHBondContact O-CD 3.33Å
38P88.9Confident83.1Confident39 Ų3974.9 Ų74.925%0.25340%0.402SS..PPolyproline II helixtrans-56.7131.4173.5-23.633.7000112.1E107 Q108 R109P38-E107 HydrophobicContact CB-CB 3.89Å; P38-E107 HydrophobicContact CG-CB 4.05Å; P38-Q108 CarbonylContact C-O 3.59Å; P38-Q108 VanDerWaalsContact CA-O 3.29Å; P38-Q108 WeakPolarHBondContact CA-O 3.44Å; P38-R109 HydrophobicContact CG-CG 4.39Å
39S91.5Very high84.5Confident45 Ų4573.5 Ų73.532%0.31540%0.396SS..  trans-96-28.2178.455.90000112.7E37 Q108E37-S39 PolarHBondContact O-N 2.96Å; S39-Q108 PolarHBondContact N-O 3.02Å
40H94.3Very high86.1Confident24 Ų2473.4 Ų73.411%0.11139%0.387CS..EExtended strand (participates in β ladder)trans-133.4154.3-176-63.482.5000111.2F76 Q108 P276 S278H40-F76 HydrophobicContact CB-CD1 4.32Å; H40-F76 HydrophobicContact CB-CE1 4.28Å; H40-F76 AromaticContact CD2-CD1 3.8Å; H40-F76 AromaticContact CD2-CE1 3.66Å; H40-Q108 HydrophobicContact CB-CB 4.47Å; H40-Q108 PolarHBondContact N-O 2.94Å; H40-Q108 PolarHBondContact O-N 3.27Å; H40-P276 PolarHBondContact CE1-O 3.3Å; H40-S278 PolarHBondContact ND1-OG 3.31Å
41T95.1Very high87.8Confident23 Ų2374.4 Ų74.414%0.14138%0.384CS..EExtended strand (participates in β ladder)trans-127.5129.3167.6-54.20000108.4V77 I93 I105 E106 E107T41-V77 HydrophobicContact CG2-CG2 3.71Å; T41-V77 PolarHBondContact O-N 3.31Å; T41-I93 HydrophobicContact CG2-CD1 3.84Å; T41-I105 HydrophobicContact CG2-CD1 4.29Å; T41-I105 HydrophobicContact CG2-CG1 4.06Å; T41-E106 WeakPolarHBondContact CA-O 3.39Å; T41-E107 HydrophobicContact CG2-CG 4.39Å
42V96.7Very high89.6Confident6 Ų672.6 Ų72.64%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-115.9127.3-178.1-178.80000109.1F69 Y75 F76 I105 E106 S280V42-F69 HydrophobicContact CG1-CE1 4.27Å; V42-F69 HydrophobicContact CG1-CZ 3.81Å; V42-F69 HydrophobicContact CG2-CZ 4.35Å; V42-Y75 WeakPolarHBondContact CA-O 3.44Å; V42-F76 HydrophobicContact CG2-CD1 4.38Å; V42-F76 HydrophobicContact CG2-CE1 4.46Å; V42-I105 VanDerWaalsContact O-CA 3.27Å; V42-I105 WeakPolarHBondContact O-CA 3.43Å; V42-E106 PolarHBondContact N-O 2.97Å; V42-E106 PolarHBondContact O-N 2.96Å; V42-S280 WeakPolarHBondContact CG2-OG 2.96Å
43M97.3Very high91.2Very high0 Ų069.4 Ų69.40%035%0.35CS..EExtended strand (participates in β ladder)trans-105.3126.2169.9-179-179.469.100108.7L45 A53 I56 Y75 V77 I102 I105M43-L45 HydrophobicContact CE-CD2 4.41Å; M43-A53 HydrophobicContact CE-CB 4.1Å; M43-I56 HydrophobicContact SD-CG2 4.05Å; M43-Y75 PolarHBondContact N-O 3.35Å; M43-Y75 PolarHBondContact O-N 2.01Å; M43-V77 HydrophobicContact CB-CG1 3.92Å; M43-V77 HydrophobicContact CB-CG2 4.14Å; M43-V77 HydrophobicContact CE-CG1 4.17Å; M43-I102 HydrophobicContact CG-CD1 3.89Å; M43-I102 HydrophobicContact CG-CG1 4.21Å; M43-I102 HydrophobicContact SD-CD1 3.62Å; M43-I102 HydrophobicContact SD-CG1 4.21Å; M43-I105 HydrophobicContact CB-CD1 4.44Å; M43-I105 HydrophobicContact CB-CG1 4.48Å
44R97.4Very high92.9Very high28 Ų2865.8 Ų65.811%0.10633%0.327CS..EExtended strand (participates in β ladder)trans-113.1123.8175.6-170.3170-1711647110.7D71 K73 L103 S104 E318R44-D71 IonicContact NH2-OD1 3.91Å; R44-D71 PolarHBondContact NH2-OD1 3.38Å; R44-D71 IonicContact NH2-OD2 3.61Å; R44-D71 PolarHBondContact NH2-OD2 2.75Å; R44-K73 CarbonylContact C-O 3.56Å; R44-K73 VanDerWaalsContact CA-O 3.3Å; R44-K73 WeakPolarHBondContact CA-O 3.45Å; R44-K73 HydrophobicContact CG-CB 4.36Å; R44-L103 HydrophobicContact CG-CB 4.46Å; R44-L103 HydrophobicContact CG-CD2 4.34Å; R44-L103 WeakPolarHBondContact O-CB 3.13Å; R44-L103 PolarHBondContact O-N 3.46Å; R44-S104 PolarHBondContact N-O 2.86Å; R44-S104 PolarHBondContact O-N 3.48Å; R44-E318 IonicContact CZ-OE1 2.71Å; R44-E318 IonicContact CZ-OE2 2.67Å; R44-E318 IonicContact NH1-OE1 3.3Å; R44-E318 IonicContact NH1-OE2 3.9Å; R44-E318 PolarHBondContact NH1-OE2 2.8Å; R44-E318 IonicContact NH2-OE1 3.63Å; R44-E318 PolarHBondContact NH2-OE1 3.3Å; R44-E318 IonicContact NH2-OE2 3.79Å; R44-E318 PolarHBondContact NH2-OE2 3.19Å
45L97.7Very high94Very high2 Ų265.9 Ų65.91%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-83.6153.8174.7-62.7-171.7000111.7M43 E47 A53 I56 K73 Y75 D101 I102M43-L45 HydrophobicContact CE-CD2 4.41Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 VanDerWaalsContact CB-O 3.23Å; L45-E47 WeakPolarHBondContact CB-O 3.1Å; L45-A53 HydrophobicContact CD1-CB 3.74Å; L45-A53 HydrophobicContact CG-CB 4.47Å; L45-I56 HydrophobicContact CD2-CD1 4.09Å; L45-K73 PolarHBondContact N-O 2.99Å; L45-Y75 HydrophobicContact CD1-CE2 3.98Å; L45-Y75 HydrophobicContact CG-CD2 4.47Å; L45-Y75 HydrophobicContact CG-CE2 3.94Å; L45-D101 WeakPolarHBondContact CA-O 3.02Å; L45-I102 HydrophobicContact CD2-CG1 4.03Å
46R96.1Very high94.8Very high132 Ų13264.7 Ų64.750%0.49831%0.306SS..SBendtrans-65.2-37.6172.8-64.6-176.6-172-80.2-12.1111.7K73 P100 D101 I102 L103R46-K73 PolarHBondContact O-NZ 3.45Å; R46-P100 VanDerWaalsContact CD-O 3.26Å; R46-P100 WeakPolarHBondContact CD-O 3.4Å; R46-P100 PolarHBondContact NE-O 2.85Å; R46-D101 PolarHBondContact N-O 3.18Å; R46-I102 PolarHBondContact NE-O 2.9Å; R46-I102 PolarHBondContact NH2-O 2.85Å; R46-L103 HydrophobicContact CG-CB 3.95Å; R46-L103 HydrophobicContact CG-CD1 4.46Å
47E95.7Very high95.4Very high149 Ų14962 Ų6270%0.69629%0.289SS*.SBendtrans-127.9149.5179.2-65.1-177.417600110.6L45 N49L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 VanDerWaalsContact CB-O 3.23Å; L45-E47 WeakPolarHBondContact CB-O 3.1Å; E47-N49 PolarHBondContact O-N 2.86Å
48R95Very high95.8Very high163 Ų16363.9 Ų63.962%0.61530%0.295SS*.  trans-70.1114178.6174167.9-177.9-167.3-0.1109.4G72 K73R48-G72 WeakPolarHBondContact CG-O 3.47Å; R48-K73 HydrophobicContact CB-CG 4Å
49N96.6Very high96.1Very high65 Ų6567.9 Ų67.935%0.34831%0.31SS..  trans-157.690176.9-170.7-30000111E47 K51 K52 A53E47-N49 PolarHBondContact O-N 2.86Å; N49-K51 VanDerWaalsContact C-N 3.34Å; N49-K51 PolarHBondContact O-N 2.86Å; N49-K52 HydrophobicContact CB-CB 3.87Å; N49-K52 PolarHBondContact O-N 3.05Å; N49-K52 VanDerWaalsContact O-N 3.16Å; N49-K52 VanDerWaalsContact OD1-CB 3.31Å; N49-K52 WeakPolarHBondContact OD1-CB 3.07Å; N49-K52 PolarHBondContact OD1-N 3.39Å; N49-A53 PolarHBondContact O-N 2.87Å
50D96Very high96.2Very high58 Ų5867 Ų6731%0.3130%0.301SS..Hα-helixtrans-62.7-39.5-173.4-55.4-26.1000112.2K52 A53 H54 Y75D50-K52 VanDerWaalsContact C-N 3.32Å; D50-K52 PolarHBondContact O-N 3.06Å; D50-A53 WeakPolarHBondContact O-CB 3.15Å; D50-A53 PolarHBondContact O-N 2.84Å; D50-H54 PolarHBondContact O-N 2.85Å; D50-H54 PolarHBondContact O-ND1 2.87Å; D50-Y75 WeakPolarHBondContact OD1-CE1 3.39Å; D50-Y75 PolarHBondContact OD1-OH 2.84Å
51K96.8Very high96.2Very high185 Ų18566.4 Ų66.480%0.80430%0.302SS*.Hα-helixtrans-61.1-43.4177-69.2-177.7-179.8177.90111.4N49 H54 L55N49-K51 VanDerWaalsContact C-N 3.34Å; N49-K51 PolarHBondContact O-N 2.86Å; K51-H54 PolarHBondContact O-N 2.77Å; K51-L55 PolarHBondContact O-N 2.98Å; K51-L55 VanDerWaalsContact O-N 3.08Å
52K96.7Very high96.2Very high65 Ų6565.5 Ų65.528%0.28330%0.296SS..Hα-helixtrans-67.1-40.7177.3-175.3-175.6-82.2-166.80111.2N49 D50 H54 L55 I56 D101N49-K52 HydrophobicContact CB-CB 3.87Å; N49-K52 PolarHBondContact O-N 3.05Å; N49-K52 VanDerWaalsContact O-N 3.16Å; N49-K52 VanDerWaalsContact OD1-CB 3.31Å; N49-K52 WeakPolarHBondContact OD1-CB 3.07Å; N49-K52 PolarHBondContact OD1-N 3.39Å; D50-K52 VanDerWaalsContact C-N 3.32Å; D50-K52 PolarHBondContact O-N 3.06Å; K52-H54 VanDerWaalsContact C-N 3.35Å; K52-H54 PolarHBondContact O-N 2.78Å; K52-L55 PolarHBondContact O-N 2.79Å; K52-I56 HydrophobicContact CD-CD1 4.3Å; K52-I56 HydrophobicContact CG-CD1 3.79Å; K52-I56 HydrophobicContact CG-CG1 4.31Å; K52-I56 WeakPolarHBondContact O-CG1 3.42Å; K52-I56 PolarHBondContact O-N 2.78Å; K52-D101 HydrophobicContact CD-CB 4Å; K52-D101 WeakPolarHBondContact CD-OD2 3.4Å; K52-D101 IonicContact NZ-OD1 3.91Å; K52-D101 PolarHBondContact NZ-OD1 3.12Å; K52-D101 IonicContact NZ-OD2 3.65Å; K52-D101 PolarHBondContact NZ-OD2 3.37Å
53A97.2Very high96.1Very high0 Ų068.2 Ų68.20%031%0.308CS..Hα-helixtrans-56.2-49.1175.700000111.4M43 L45 N49 D50 L55 I56 A57 I64 Y75M43-A53 HydrophobicContact CE-CB 4.1Å; L45-A53 HydrophobicContact CD1-CB 3.74Å; L45-A53 HydrophobicContact CG-CB 4.47Å; N49-A53 PolarHBondContact O-N 2.87Å; D50-A53 WeakPolarHBondContact O-CB 3.15Å; D50-A53 PolarHBondContact O-N 2.84Å; A53-L55 VanDerWaalsContact C-N 3.34Å; A53-L55 PolarHBondContact O-N 3.41Å; A53-I56 PolarHBondContact O-N 2.94Å; A53-A57 WeakPolarHBondContact O-CB 3.29Å; A53-A57 PolarHBondContact O-N 2.81Å; A53-I64 VanDerWaalsContact C-CD1 3.45Å; A53-I64 HydrophobicContact CB-CD1 3.5Å; A53-I64 VanDerWaalsContact CB-CD1 3.5Å; A53-Y75 HydrophobicContact CB-CD1 4.07Å; A53-Y75 HydrophobicContact CB-CD2 3.97Å; A53-Y75 HydrophobicContact CB-CE1 3.76Å; A53-Y75 HydrophobicContact CB-CE2 3.68Å; A53-Y75 HydrophobicContact CB-CG 4.18Å
54H97.3Very high96Very high102 Ų10269.3 Ų69.347%0.47231%0.314SS..Hα-helixtrans-62.9-39.7177.7-73.183.3000112.4D50 K51 K52 K58 I64D50-H54 PolarHBondContact O-N 2.85Å; D50-H54 PolarHBondContact O-ND1 2.87Å; K51-H54 PolarHBondContact O-N 2.77Å; K52-H54 VanDerWaalsContact C-N 3.35Å; K52-H54 PolarHBondContact O-N 2.78Å; H54-K58 VanDerWaalsContact O-CB 3.31Å; H54-K58 WeakPolarHBondContact O-CB 3.29Å; H54-K58 PolarHBondContact O-N 3.43Å; H54-I64 HydrophobicContact CB-CD1 4.47Å
55L97.1Very high95.9Very high93 Ų9372.8 Ų72.849%0.48733%0.327SS..Hα-helixtrans-63.6-49.1177.8-178.164.5000111.6K51 K52 A53 K58 Q59K51-L55 PolarHBondContact O-N 2.98Å; K51-L55 VanDerWaalsContact O-N 3.08Å; K52-L55 PolarHBondContact O-N 2.79Å; A53-L55 VanDerWaalsContact C-N 3.34Å; A53-L55 PolarHBondContact O-N 3.41Å; L55-K58 PolarHBondContact O-N 3.14Å; L55-Q59 HydrophobicContact CD1-CG 4.4Å; L55-Q59 WeakPolarHBondContact O-CB 3.42Å; L55-Q59 VanDerWaalsContact O-CG 3.27Å; L55-Q59 WeakPolarHBondContact O-CG 3.1Å; L55-Q59 PolarHBondContact O-N 2.87Å
56I97.1Very high95.6Very high3 Ų374.4 Ų74.42%0.01535%0.345CS..Hα-helixtrans-60.8-48.1178.5-67.5167.2000110.1M43 L45 K52 A53 K58 Q59 H60 L96 H99 D101 I102M43-I56 HydrophobicContact SD-CG2 4.05Å; L45-I56 HydrophobicContact CD2-CD1 4.09Å; K52-I56 HydrophobicContact CD-CD1 4.3Å; K52-I56 HydrophobicContact CG-CD1 3.79Å; K52-I56 HydrophobicContact CG-CG1 4.31Å; K52-I56 WeakPolarHBondContact O-CG1 3.42Å; K52-I56 PolarHBondContact O-N 2.78Å; A53-I56 PolarHBondContact O-N 2.94Å; I56-K58 PolarHBondContact O-N 2.94Å; I56-Q59 PolarHBondContact O-N 2.87Å; I56-H60 PolarHBondContact O-CD2 2.97Å; I56-H60 VanDerWaalsContact O-CD2 3.24Å; I56-H60 PolarHBondContact O-N 3.39Å; I56-L96 HydrophobicContact CG2-CD2 3.65Å; I56-H99 VanDerWaalsContact CD1-CE1 3.5Å; I56-H99 WeakPolarHBondContact CD1-CE1 3.31Å; I56-D101 HydrophobicContact CD1-CB 4.01Å; I56-I102 HydrophobicContact CG2-CD1 4.04Å
57A96.4Very high95.4Very high1 Ų174.5 Ų74.51%0.00835%0.351CS..Hα-helixtrans-54.9-52.8177.500000110.6A53 Q59 H60 G61 L62 I64A53-A57 WeakPolarHBondContact O-CB 3.29Å; A53-A57 PolarHBondContact O-N 2.81Å; A57-Q59 PolarHBondContact O-N 2.82Å; A57-H60 CarbonylContact O-C 3.51Å; A57-H60 PolarHBondContact O-N 2.9Å; A57-H60 VanDerWaalsContact O-N 3.08Å; A57-G61 PolarHBondContact O-N 3.31Å; A57-L62 CarbonylContact C-O 3.6Å; A57-L62 HydrophobicContact CB-CB 3.99Å; A57-L62 CarbonylContact O-C 2.93Å; A57-L62 WeakPolarHBondContact O-CA 3.39Å; A57-L62 WeakPolarHBondContact O-CB 3.24Å; A57-L62 PolarHBondContact O-N 3.35Å; A57-I64 HydrophobicContact CB-CG1 4.12Å
58K95.6Very high95.4Very high159 Ų15969 Ų6969%0.69133%0.328SS*.Hα-helixtrans-59.8-42.8-179.5-172.6176.2-178.4176.80112.7H54 L55 I56 H60 G61 L62H54-K58 VanDerWaalsContact O-CB 3.31Å; H54-K58 WeakPolarHBondContact O-CB 3.29Å; H54-K58 PolarHBondContact O-N 3.43Å; L55-K58 PolarHBondContact O-N 3.14Å; I56-K58 PolarHBondContact O-N 2.94Å; K58-H60 PolarHBondContact O-N 2.98Å; K58-G61 PolarHBondContact O-N 3.2Å; K58-L62 WeakPolarHBondContact CA-O 3.34Å; K58-L62 PolarHBondContact N-O 3.31Å
59Q94.9Very high95.5Very high122 Ų12261.8 Ų61.857%0.5730%0.301SS*.Hα-helixtrans-60-29.6177.9-77.3173.4-1300112.7L55 I56 A57L55-Q59 HydrophobicContact CD1-CG 4.4Å; L55-Q59 WeakPolarHBondContact O-CB 3.42Å; L55-Q59 VanDerWaalsContact O-CG 3.27Å; L55-Q59 WeakPolarHBondContact O-CG 3.1Å; L55-Q59 PolarHBondContact O-N 2.87Å; I56-Q59 PolarHBondContact O-N 2.87Å; A57-Q59 PolarHBondContact O-N 2.82Å
60H94.1Very high95.4Very high27 Ų2759.2 Ų59.213%0.12529%0.287CS..THydrogen-bonded Turntrans-96.85.7178.6-71.1-109.4000113.3I56 A57 K58 L62 R84 I92 L96I56-H60 PolarHBondContact O-CD2 2.97Å; I56-H60 VanDerWaalsContact O-CD2 3.24Å; I56-H60 PolarHBondContact O-N 3.39Å; A57-H60 CarbonylContact O-C 3.51Å; A57-H60 PolarHBondContact O-N 2.9Å; A57-H60 VanDerWaalsContact O-N 3.08Å; K58-H60 PolarHBondContact O-N 2.98Å; H60-L62 VanDerWaalsContact C-N 3.32Å; H60-L62 HydrophobicContact CB-CD1 4.45Å; H60-L62 HydrophobicContact CB-CG 4.41Å; H60-R84 PolarHBondContact O-NH1 2.87Å; H60-I92 HydrophobicContact CB-CG2 4.03Å; H60-L96 HydrophobicContact CB-CD1 4.29Å; H60-L96 HydrophobicContact CB-CD2 4.31Å
61G92.8Very high95.3Very high12 Ų1258.2 Ų58.212%0.12428%0.282CS..THydrogen-bonded Turntrans67.933.9-176.800000112.9A57 K58 I80A57-G61 PolarHBondContact O-N 3.31Å; K58-G61 PolarHBondContact O-N 3.2Å; G61-I80 PolarHBondContact O-N 2.84Å; G61-I80 VanDerWaalsContact O-N 3.17Å
62L95.2Very high95.2Very high4 Ų449.8 Ų49.82%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-109.9163170.3-55.7174.7000109.7A57 K58 H60 V77 T78 H79 I80 I92 L96A57-L62 CarbonylContact C-O 3.6Å; A57-L62 HydrophobicContact CB-CB 3.99Å; A57-L62 CarbonylContact O-C 2.93Å; A57-L62 WeakPolarHBondContact O-CA 3.39Å; A57-L62 WeakPolarHBondContact O-CB 3.24Å; A57-L62 PolarHBondContact O-N 3.35Å; K58-L62 WeakPolarHBondContact CA-O 3.34Å; K58-L62 PolarHBondContact N-O 3.31Å; H60-L62 VanDerWaalsContact C-N 3.32Å; H60-L62 HydrophobicContact CB-CD1 4.45Å; H60-L62 HydrophobicContact CB-CG 4.41Å; L62-V77 HydrophobicContact CD1-CB 4.4Å; L62-V77 HydrophobicContact CD1-CG2 4.31Å; L62-T78 CarbonylContact C-O 3.42Å; L62-T78 WeakPolarHBondContact CA-O 3.41Å; L62-H79 HydrophobicContact CD2-CB 4.39Å; L62-H79 VanDerWaalsContact CD2-CE1 3.49Å; L62-H79 WeakPolarHBondContact CD2-CE1 3.38Å; L62-H79 WeakPolarHBondContact CD2-ND1 3.38Å; L62-I80 WeakPolarHBondContact O-CD1 3.18Å; L62-I92 HydrophobicContact CD1-CG2 4.22Å; L62-I92 HydrophobicContact CG-CG2 4.4Å; L62-L96 HydrophobicContact CD1-CD1 3.42Å; L62-L96 VanDerWaalsContact CD1-CD1 3.42Å
63E95.1Very high95.2Very high62 Ų6249.3 Ų49.329%0.2925%0.246SC..EExtended strand (participates in β ladder)trans-130.9150.4170.466.1-166.1168.800109.1R65 V77 T78 I80E63-R65 IonicContact OE1-CZ 3.89Å; E63-R65 VanDerWaalsContact OE1-CZ 3.26Å; E63-R65 IonicContact OE1-NE 2.73Å; E63-R65 PolarHBondContact OE1-NE 3.21Å; E63-R65 VanDerWaalsContact OE1-NE 3.11Å; E63-R65 IonicContact OE1-NH2 3.77Å; E63-R65 PolarHBondContact OE1-NH2 3.13Å; E63-R65 IonicContact OE2-NH2 4Å; E63-V77 CarbonylContact O-C 3.56Å; E63-V77 VanDerWaalsContact O-CA 3.27Å; E63-V77 WeakPolarHBondContact O-CA 3.07Å; E63-T78 WeakPolarHBondContact CG-OG1 3.34Å; E63-T78 PolarHBondContact N-O 3.03Å; E63-T78 PolarHBondContact O-N 3.42Å; E63-T78 PolarHBondContact OE1-OG1 2.86Å; E63-I80 HydrophobicContact CB-CG1 4.03Å; E63-I80 HydrophobicContact CG-CG1 4.4Å
64I96.1Very high95.2Very high24 Ų2449.3 Ų49.312%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-85.4140.1173.1-70.1173.9000108.6A53 H54 A57 Y75 F76 V77A53-I64 VanDerWaalsContact C-CD1 3.45Å; A53-I64 HydrophobicContact CB-CD1 3.5Å; A53-I64 VanDerWaalsContact CB-CD1 3.5Å; H54-I64 HydrophobicContact CB-CD1 4.47Å; A57-I64 HydrophobicContact CB-CG1 4.12Å; I64-Y75 HydrophobicContact CD1-CD1 3.85Å; I64-Y75 HydrophobicContact CD1-CE1 4.48Å; I64-Y75 HydrophobicContact CD1-CG 4.13Å; I64-Y75 HydrophobicContact CG2-CD1 4.18Å; I64-F76 WeakPolarHBondContact CA-O 3.26Å; I64-V77 HydrophobicContact CG1-CG1 4.06Å
65R93.9Very high95.2Very high100 Ų10044.6 Ų44.638%0.37722%0.224SC..EExtended strand (participates in β ladder)trans-118.5135.9176.9-66.8-67.3-174.9164-3.8110.2E63 F76 T78 H226E63-R65 IonicContact OE1-CZ 3.89Å; E63-R65 VanDerWaalsContact OE1-CZ 3.26Å; E63-R65 IonicContact OE1-NE 2.73Å; E63-R65 PolarHBondContact OE1-NE 3.21Å; E63-R65 VanDerWaalsContact OE1-NE 3.11Å; E63-R65 IonicContact OE1-NH2 3.77Å; E63-R65 PolarHBondContact OE1-NH2 3.13Å; E63-R65 IonicContact OE2-NH2 4Å; R65-F76 HydrophobicContact CB-CB 4.31Å; R65-F76 PolarHBondContact N-O 3.06Å; R65-T78 HydrophobicContact CG-CG2 3.91Å; R65-T78 WeakPolarHBondContact CG-OG1 3.33Å; R65-T78 PolarHBondContact NE-OG1 2.99Å; R65-H226 HydrophobicContact CB-CB 4.25Å
66G92.2Very high95.2Very high37 Ų3740.6 Ų40.638%0.38120%0.202SC..EExtended strand (participates in β ladder)trans64.4-164-179.700000114.1
67Q92.3Very high95.2Very high133 Ų13340.6 Ų40.662%0.62120%0.203SC*.EExtended strand (participates in β ladder)trans-88.5153.1-179.4-62.5-61.3-24.400112.1
68P95.5Very high95Very high34 Ų3442.8 Ų42.822%0.22122%0.216CC..EExtended strand (participates in β ladder)trans-66.1145.7169.729.1-34.5000111.3S74 Y75P68-S74 VanDerWaalsContact CA-O 3.31Å; P68-S74 WeakPolarHBondContact CA-O 3.42Å; P68-Y75 HydrophobicContact CB-CD1 3.81Å; P68-Y75 HydrophobicContact CB-CE1 3.53Å; P68-Y75 HydrophobicContact CG-CE1 4.17Å
69F96.7Very high94.8Very high12 Ų1236.8 Ų36.85%0.05319%0.191CC..EExtended strand (participates in β ladder)trans-125.6-178.8-174.265.5-80.9000112.6V42 D71 G72 S74 F76 A283 A284 L315V42-F69 HydrophobicContact CG1-CE1 4.27Å; V42-F69 HydrophobicContact CG1-CZ 3.81Å; V42-F69 HydrophobicContact CG2-CZ 4.35Å; F69-D71 PolarHBondContact O-N 3.3Å; F69-D71 VanDerWaalsContact O-N 3.09Å; F69-G72 PolarHBondContact O-N 3.41Å; F69-S74 VanDerWaalsContact CD1-O 3.23Å; F69-S74 WeakPolarHBondContact CD1-O 3.37Å; F69-S74 VanDerWaalsContact CZ-CB 3.43Å; F69-S74 PolarHBondContact N-O 3.4Å; F69-F76 HydrophobicContact CD1-CD2 4.22Å; F69-F76 AromaticContact CD1-CE2 3.96Å; F69-F76 HydrophobicContact CD1-CE2 3.96Å; F69-F76 AromaticContact CE1-CD2 3.97Å; F69-F76 HydrophobicContact CE1-CD2 3.97Å; F69-F76 AromaticContact CE1-CE2 3.79Å; F69-F76 HydrophobicContact CE1-CE2 3.79Å; F69-F76 HydrophobicContact CE1-CZ 4.27Å; F69-F76 HydrophobicContact CZ-CE2 4.48Å; F69-A283 HydrophobicContact CD2-CB 4.11Å; F69-A283 HydrophobicContact CE2-CB 3.94Å; F69-A284 HydrophobicContact CB-CB 3.88Å; F69-A284 HydrophobicContact CD1-CB 4.3Å; F69-A284 HydrophobicContact CD2-CB 4.02Å; F69-A284 HydrophobicContact CG-CB 3.84Å; F69-L315 HydrophobicContact CE2-CD1 4.35Å
70L95.4Very high94.5Very high11 Ų1135.5 Ų35.56%0.05819%0.187CC..THydrogen-bonded Turntrans58.6-103.5-171.9-66.7173.1000113.3A283 S287 R290 L315 E318 A319L70-A283 HydrophobicContact CD2-CB 4.23Å; L70-A283 HydrophobicContact CG-CB 4.48Å; L70-S287 PolarHBondContact N-OG 3.44Å; L70-R290 PolarHBondContact O-NH2 3.21Å; L70-L315 HydrophobicContact CD1-CB 4.35Å; L70-L315 HydrophobicContact CD1-CD2 3.95Å; L70-E318 HydrophobicContact CD2-CB 4.35Å; L70-E318 HydrophobicContact CD2-CG 4.28Å; L70-A319 HydrophobicContact CD2-CB 3.65Å
71D92.4Very high94Very high36 Ų3636.7 Ų36.719%0.19320%0.198CC..THydrogen-bonded Turntrans-100.516.1176.856.1-7.6000113.1R44 F69 K73 R322R44-D71 IonicContact NH2-OD1 3.91Å; R44-D71 PolarHBondContact NH2-OD1 3.38Å; R44-D71 IonicContact NH2-OD2 3.61Å; R44-D71 PolarHBondContact NH2-OD2 2.75Å; F69-D71 PolarHBondContact O-N 3.3Å; F69-D71 VanDerWaalsContact O-N 3.09Å; D71-K73 VanDerWaalsContact C-N 3.26Å; D71-K73 WeakPolarHBondContact OD1-CB 3.22Å; D71-K73 WeakPolarHBondContact OD1-CG 3.46Å; D71-K73 WeakPolarHBondContact OD2-CD 3.19Å; D71-R322 IonicContact OD2-CZ 3.72Å; D71-R322 IonicContact OD2-NH1 3.55Å; D71-R322 IonicContact OD2-NH2 3.27Å; D71-R322 PolarHBondContact OD2-NH2 2.75Å
72G94.7Very high93.2Very high9 Ų946 Ų469%0.09324%0.235CC..THydrogen-bonded Turntrans73.219.6-176.100000112.7R48 F69 Y75R48-G72 WeakPolarHBondContact CG-O 3.47Å; F69-G72 PolarHBondContact O-N 3.41Å; G72-Y75 PolarHBondContact O-OH 2.72Å
73K96.8Very high92.2Very high55 Ų5554.9 Ų54.924%0.23928%0.276CS..THydrogen-bonded Turntrans-111.2-10.7179-55.5-175-175.1-176.70113.7R44 L45 R46 R48 D71 Y75R44-K73 CarbonylContact C-O 3.56Å; R44-K73 VanDerWaalsContact CA-O 3.3Å; R44-K73 WeakPolarHBondContact CA-O 3.45Å; R44-K73 HydrophobicContact CG-CB 4.36Å; L45-K73 PolarHBondContact N-O 2.99Å; R46-K73 PolarHBondContact O-NZ 3.45Å; R48-K73 HydrophobicContact CB-CG 4Å; D71-K73 VanDerWaalsContact C-N 3.26Å; D71-K73 WeakPolarHBondContact OD1-CB 3.22Å; D71-K73 WeakPolarHBondContact OD1-CG 3.46Å; D71-K73 WeakPolarHBondContact OD2-CD 3.19Å; K73-Y75 VanDerWaalsContact C-CE2 3.46Å; K73-Y75 VanDerWaalsContact O-CD2 3.32Å; K73-Y75 WeakPolarHBondContact O-CD2 3.3Å; K73-Y75 WeakPolarHBondContact O-CE2 3.27Å
74S98.1Very high91.2Very high0 Ų054.5 Ų54.50%027%0.272CS..EExtended strand (participates in β ladder)trans-103.5133.3-179.5-60.30000109.9P68 F69P68-S74 VanDerWaalsContact CA-O 3.31Å; P68-S74 WeakPolarHBondContact CA-O 3.42Å; F69-S74 VanDerWaalsContact CD1-O 3.23Å; F69-S74 WeakPolarHBondContact CD1-O 3.37Å; F69-S74 VanDerWaalsContact CZ-CB 3.43Å; F69-S74 PolarHBondContact N-O 3.4Å
75Y97.6Very high90.4Very high2 Ų256.7 Ų56.71%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-133.7133.8-174.2-54.2-96.2000109.4V42 M43 L45 D50 A53 I64 P68 G72 K73V42-Y75 WeakPolarHBondContact CA-O 3.44Å; M43-Y75 PolarHBondContact N-O 3.35Å; M43-Y75 PolarHBondContact O-N 2.01Å; L45-Y75 HydrophobicContact CD1-CE2 3.98Å; L45-Y75 HydrophobicContact CG-CD2 4.47Å; L45-Y75 HydrophobicContact CG-CE2 3.94Å; D50-Y75 WeakPolarHBondContact OD1-CE1 3.39Å; D50-Y75 PolarHBondContact OD1-OH 2.84Å; A53-Y75 HydrophobicContact CB-CD1 4.07Å; A53-Y75 HydrophobicContact CB-CD2 3.97Å; A53-Y75 HydrophobicContact CB-CE1 3.76Å; A53-Y75 HydrophobicContact CB-CE2 3.68Å; A53-Y75 HydrophobicContact CB-CG 4.18Å; I64-Y75 HydrophobicContact CD1-CD1 3.85Å; I64-Y75 HydrophobicContact CD1-CE1 4.48Å; I64-Y75 HydrophobicContact CD1-CG 4.13Å; I64-Y75 HydrophobicContact CG2-CD1 4.18Å; P68-Y75 HydrophobicContact CB-CD1 3.81Å; P68-Y75 HydrophobicContact CB-CE1 3.53Å; P68-Y75 HydrophobicContact CG-CE1 4.17Å; G72-Y75 PolarHBondContact O-OH 2.72Å; K73-Y75 VanDerWaalsContact C-CE2 3.46Å; K73-Y75 VanDerWaalsContact O-CD2 3.32Å; K73-Y75 WeakPolarHBondContact O-CD2 3.3Å; K73-Y75 WeakPolarHBondContact O-CE2 3.27Å
76F96.9Very high89.8Confident9 Ų959.4 Ų59.44%0.03930%0.3CS..EExtended strand (participates in β ladder)trans-70.3132.2164.5-67.9-82.5000109.3H40 V42 I64 R65 F69 I223 S280 V281 A284H40-F76 HydrophobicContact CB-CD1 4.32Å; H40-F76 HydrophobicContact CB-CE1 4.28Å; H40-F76 AromaticContact CD2-CD1 3.8Å; H40-F76 AromaticContact CD2-CE1 3.66Å; V42-F76 HydrophobicContact CG2-CD1 4.38Å; V42-F76 HydrophobicContact CG2-CE1 4.46Å; I64-F76 WeakPolarHBondContact CA-O 3.26Å; R65-F76 HydrophobicContact CB-CB 4.31Å; R65-F76 PolarHBondContact N-O 3.06Å; F69-F76 HydrophobicContact CD1-CD2 4.22Å; F69-F76 AromaticContact CD1-CE2 3.96Å; F69-F76 HydrophobicContact CD1-CE2 3.96Å; F69-F76 AromaticContact CE1-CD2 3.97Å; F69-F76 HydrophobicContact CE1-CD2 3.97Å; F69-F76 AromaticContact CE1-CE2 3.79Å; F69-F76 HydrophobicContact CE1-CE2 3.79Å; F69-F76 HydrophobicContact CE1-CZ 4.27Å; F69-F76 HydrophobicContact CZ-CE2 4.48Å; F76-I223 HydrophobicContact CE2-CG2 4.44Å; F76-I223 HydrophobicContact CZ-CG2 4.37Å; F76-S280 WeakPolarHBondContact CE1-OG 3.03Å; F76-S280 WeakPolarHBondContact CZ-O 3.18Å; F76-V281 HydrophobicContact CE1-CG2 4.3Å; F76-V281 HydrophobicContact CZ-CG2 4.27Å; F76-A284 HydrophobicContact CE2-CB 3.88Å; F76-A284 HydrophobicContact CZ-CB 4.18Å
77V95.8Very high89.3Confident3 Ų367.5 Ų67.52%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-127.2138178.4-65.50000111.4T41 M43 L62 E63 I64T41-V77 HydrophobicContact CG2-CG2 3.71Å; T41-V77 PolarHBondContact O-N 3.31Å; M43-V77 HydrophobicContact CB-CG1 3.92Å; M43-V77 HydrophobicContact CB-CG2 4.14Å; M43-V77 HydrophobicContact CE-CG1 4.17Å; L62-V77 HydrophobicContact CD1-CB 4.4Å; L62-V77 HydrophobicContact CD1-CG2 4.31Å; E63-V77 CarbonylContact O-C 3.56Å; E63-V77 VanDerWaalsContact O-CA 3.27Å; E63-V77 WeakPolarHBondContact O-CA 3.07Å; I64-V77 HydrophobicContact CG1-CG1 4.06Å
78T93Very high89Confident48 Ų4867.9 Ų67.929%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-128153.5177.655.60000110.8L62 E63 R65L62-T78 CarbonylContact C-O 3.42Å; L62-T78 WeakPolarHBondContact CA-O 3.41Å; E63-T78 WeakPolarHBondContact CG-OG1 3.34Å; E63-T78 PolarHBondContact N-O 3.03Å; E63-T78 PolarHBondContact O-N 3.42Å; E63-T78 PolarHBondContact OE1-OG1 2.86Å; R65-T78 HydrophobicContact CG-CG2 3.91Å; R65-T78 WeakPolarHBondContact CG-OG1 3.33Å; R65-T78 PolarHBondContact NE-OG1 2.99Å
79H90.9Very high88.5Confident33 Ų3370 Ų7015%0.15332%0.32CS..EExtended strand (participates in β ladder)trans-73.9128.2173.7-73.1-76.2000111L62 S81L62-H79 HydrophobicContact CD2-CB 4.39Å; L62-H79 VanDerWaalsContact CD2-CE1 3.49Å; L62-H79 WeakPolarHBondContact CD2-CE1 3.38Å; L62-H79 WeakPolarHBondContact CD2-ND1 3.38Å; H79-S81 PolarHBondContact O-N 3.25Å
80I88.8Confident87.9Confident95 Ų9577.7 Ų77.749%0.48735%0.349SS..SBendtrans-59.4-37.4177.2-62171.6000111.2G61 L62 E63G61-I80 PolarHBondContact O-N 2.84Å; G61-I80 VanDerWaalsContact O-N 3.17Å; L62-I80 WeakPolarHBondContact O-CD1 3.18Å; E63-I80 HydrophobicContact CB-CG1 4.03Å; E63-I80 HydrophobicContact CG-CG1 4.4Å
81S84.8Confident87.6Confident51 Ų5182.1 Ų82.136%0.35737%0.369SS..  trans-100.1119.5179.7178.10000111.2H79 Q83H79-S81 PolarHBondContact O-N 3.25Å; S81-Q83 VanDerWaalsContact C-N 3.29Å; S81-Q83 PolarHBondContact O-N 2.85Å
82K75.2Confident87.5Confident209 Ų20980.5 Ų80.591%0.90936%0.361SS*.THydrogen-bonded Turntrans-67.4-24.1177.4-63.9-173.3178.5-175.60113.6R84K82-R84 PolarHBondContact O-N 2.96Å
83Q74.6Confident87.3Confident189 Ų18980.7 Ų80.788%0.88336%0.359SS*.THydrogen-bonded Turntrans-92.526.5-171.4-66.8-174.5-17.800115S81S81-Q83 VanDerWaalsContact C-N 3.29Å; S81-Q83 PolarHBondContact O-N 2.85Å
84R73.9Confident87.1Confident54 Ų5480.7 Ų80.720%0.20437%0.366CS..  trans-85.8135.9-178.8-71.2-174.2174.9-175.31112.5H60 K82 K89H60-R84 PolarHBondContact O-NH1 2.87Å; K82-R84 PolarHBondContact O-N 2.96Å; R84-K89 HydrophobicContact CB-CG 4.34Å
85S80.1Confident86.9Confident71 Ų7186.4 Ų86.450%0.49739%0.388SS..  trans-61.9148.8172.669.40000111.6R87 R88 K89S85-R87 PolarHBondContact O-N 3.05Å; S85-R88 PolarHBondContact O-N 2.8Å; S85-R88 PolarHBondContact OG-N 3.33Å; S85-K89 PolarHBondContact O-N 3.09Å; S85-K89 VanDerWaalsContact O-N 3.16Å
86R79.5Confident86.7Confident156 Ų15686.3 Ų86.359%0.58939%0.388SS*.Hα-helixtrans-51.9-40176-72.2-175.3172.8-160.7-10.1112.2E37 R88 K89 R90E37-R86 IonicContact OE1-CZ 2.99Å; E37-R86 IonicContact OE1-NH1 3.59Å; E37-R86 IonicContact OE1-NH2 3.55Å; E37-R86 PolarHBondContact OE1-NH2 3.21Å; E37-R86 IonicContact OE2-CZ 2.56Å; E37-R86 IonicContact OE2-NH2 3.73Å; E37-R86 PolarHBondContact OE2-NH2 2.97Å; R86-R88 PolarHBondContact O-N 2.83Å; R86-K89 PolarHBondContact O-N 3.1Å; R86-R90 PolarHBondContact O-N 2.83Å; R86-R90 VanDerWaalsContact O-N 3.12Å
87R83.4Confident86.6Confident207 Ų20791.5 Ų91.578%0.78141%0.412SS*.Hα-helixtrans-57.7-46.3176.4-176.2178.2177.4-179.30.6112.2S85 R90 E91S85-R87 PolarHBondContact O-N 3.05Å; R87-R90 PolarHBondContact O-N 2.85Å; R87-E91 PolarHBondContact O-N 2.84Å
88R84.7Confident86.5Confident142 Ų14298.8 Ų98.854%0.53645%0.446SS..Hα-helixtrans-70.5-32-178.1-162.5172.7-170-178.63112.4S85 R86 I92S85-R88 PolarHBondContact O-N 2.8Å; S85-R88 PolarHBondContact OG-N 3.33Å; R86-R88 PolarHBondContact O-N 2.83Å; R88-I92 WeakPolarHBondContact O-CD1 3.43Å; R88-I92 WeakPolarHBondContact O-CG1 3.26Å; R88-I92 PolarHBondContact O-N 3.31Å
89K84.5Confident86.6Confident77 Ų7798.1 Ų98.134%0.33544%0.439SS..Hα-helixtrans-61.2-52.5171.4-63.4-171.4178.9-176.90110.5R84 S85 R86 E91 I92 I93R84-K89 HydrophobicContact CB-CG 4.34Å; S85-K89 PolarHBondContact O-N 3.09Å; S85-K89 VanDerWaalsContact O-N 3.16Å; R86-K89 PolarHBondContact O-N 3.1Å; K89-E91 VanDerWaalsContact C-N 3.33Å; K89-E91 PolarHBondContact O-N 2.8Å; K89-I92 PolarHBondContact O-N 2.82Å; K89-I92 VanDerWaalsContact O-N 3.09Å; K89-I93 PolarHBondContact O-N 2.86Å; K89-I93 VanDerWaalsContact O-N 3.14Å
90R84.6Confident86.8Confident174 Ų174101.3 Ų101.366%0.65746%0.463SS*.Hα-helixtrans-57.5-41.3178.4-69.5179.2-177.7170.6-1.7113.4R86 R87 I92 I93 S94R86-R90 PolarHBondContact O-N 2.83Å; R86-R90 VanDerWaalsContact O-N 3.12Å; R87-R90 PolarHBondContact O-N 2.85Å; R90-I92 VanDerWaalsContact C-N 3.3Å; R90-I92 PolarHBondContact O-N 2.97Å; R90-I93 PolarHBondContact O-N 2.84Å; R90-S94 WeakPolarHBondContact O-CB 3.47Å; R90-S94 PolarHBondContact O-N 2.93Å
91E89.6Confident87.2Confident104 Ų10499.4 Ų99.449%0.48645%0.454SS..Hα-helixtrans-63.1-34.5177.7-173.7-176.2173.200113R87 K89 R95R87-E91 PolarHBondContact O-N 2.84Å; K89-E91 VanDerWaalsContact C-N 3.33Å; K89-E91 PolarHBondContact O-N 2.8Å; E91-R95 WeakPolarHBondContact O-CG 3.3Å; E91-R95 PolarHBondContact O-N 2.9Å; E91-R95 VanDerWaalsContact O-N 3.14Å
92I90.6Very high87.8Confident2 Ų297 Ų971%0.0144%0.437CS..Hα-helixtrans-70.9-45.9175.9-71.9161.1000110.8H60 L62 R88 K89 R90 S94 R95 L96H60-I92 HydrophobicContact CB-CG2 4.03Å; L62-I92 HydrophobicContact CD1-CG2 4.22Å; L62-I92 HydrophobicContact CG-CG2 4.4Å; R88-I92 WeakPolarHBondContact O-CD1 3.43Å; R88-I92 WeakPolarHBondContact O-CG1 3.26Å; R88-I92 PolarHBondContact O-N 3.31Å; K89-I92 PolarHBondContact O-N 2.82Å; K89-I92 VanDerWaalsContact O-N 3.09Å; R90-I92 VanDerWaalsContact C-N 3.3Å; R90-I92 PolarHBondContact O-N 2.97Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3Å; I92-R95 PolarHBondContact O-N 3.41Å; I92-L96 HydrophobicContact CG2-CD1 3.66Å; I92-L96 HydrophobicContact CG2-CG 4.41Å; I92-L96 WeakPolarHBondContact O-CG 3.32Å; I92-L96 PolarHBondContact O-N 3.09Å
93I90.6Very high88.7Confident13 Ų1391.4 Ų91.47%0.06742%0.417CS..Hα-helixtrans-58.7-47.3177.4-60.7-57.7000110.1T41 K89 R90 R95 L96 Q97 I105T41-I93 HydrophobicContact CG2-CD1 3.84Å; K89-I93 PolarHBondContact O-N 2.86Å; K89-I93 VanDerWaalsContact O-N 3.14Å; R90-I93 PolarHBondContact O-N 2.84Å; I93-R95 PolarHBondContact O-N 3.17Å; I93-L96 PolarHBondContact O-N 3.07Å; I93-L96 VanDerWaalsContact O-N 3.08Å; I93-Q97 HydrophobicContact CG2-CG 4.48Å; I93-Q97 WeakPolarHBondContact O-CG 3.36Å; I93-Q97 PolarHBondContact O-N 3.29Å; I93-I105 HydrophobicContact CD1-CD1 3.65Å; I93-I105 HydrophobicContact CD1-CG1 4.1Å; I93-I105 HydrophobicContact CG2-CG2 4.17Å
94S91.6Very high89.7Confident55 Ų5584.1 Ų84.139%0.38539%0.386SS..Hα-helixtrans-57.7-44.9176.71710000112.7R90 I92 L96 Q97 E98R90-S94 WeakPolarHBondContact O-CB 3.47Å; R90-S94 PolarHBondContact O-N 2.93Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3Å; S94-L96 VanDerWaalsContact C-N 3.3Å; S94-L96 PolarHBondContact O-N 2.9Å; S94-Q97 PolarHBondContact O-N 2.86Å; S94-E98 PolarHBondContact O-N 2.89Å
95R93.3Very high90.8Very high120 Ų12081.7 Ų81.745%0.45338%0.377SS..Hα-helixtrans-64.1-33.4175.2-75-173.1-67.6156-3113.4E91 I92 I93 H99E91-R95 WeakPolarHBondContact O-CG 3.3Å; E91-R95 PolarHBondContact O-N 2.9Å; E91-R95 VanDerWaalsContact O-N 3.14Å; I92-R95 PolarHBondContact O-N 3.41Å; I93-R95 PolarHBondContact O-N 3.17Å; R95-H99 PolarHBondContact O-N 3.39Å
96L94.9Very high91.4Very high0 Ų082.9 Ų82.90%038%0.375CS..Hα-helixtrans-75.8-31.1178.6-72.4166.9000111.9I56 H60 L62 I92 I93 S94 E98 H99 I102 I105I56-L96 HydrophobicContact CG2-CD2 3.65Å; H60-L96 HydrophobicContact CB-CD1 4.29Å; H60-L96 HydrophobicContact CB-CD2 4.31Å; L62-L96 HydrophobicContact CD1-CD1 3.42Å; L62-L96 VanDerWaalsContact CD1-CD1 3.42Å; I92-L96 HydrophobicContact CG2-CD1 3.66Å; I92-L96 HydrophobicContact CG2-CG 4.41Å; I92-L96 WeakPolarHBondContact O-CG 3.32Å; I92-L96 PolarHBondContact O-N 3.09Å; I93-L96 PolarHBondContact O-N 3.07Å; I93-L96 VanDerWaalsContact O-N 3.08Å; S94-L96 VanDerWaalsContact C-N 3.3Å; S94-L96 PolarHBondContact O-N 2.9Å; L96-E98 PolarHBondContact O-N 3.12Å; L96-H99 VanDerWaalsContact O-CB 3.32Å; L96-H99 WeakPolarHBondContact O-CB 3.32Å; L96-H99 PolarHBondContact O-N 3.15Å; L96-H99 VanDerWaalsContact O-N 3.13Å; L96-I102 HydrophobicContact CB-CD1 3.8Å; L96-I102 HydrophobicContact CD2-CD1 3.43Å; L96-I102 VanDerWaalsContact CD2-CD1 3.43Å; L96-I102 HydrophobicContact CG-CD1 4.19Å; L96-I102 WeakPolarHBondContact O-CB 3.47Å; L96-I102 WeakPolarHBondContact O-CD1 3.23Å; L96-I102 WeakPolarHBondContact O-CG2 3.36Å; L96-I105 HydrophobicContact CB-CD1 3.74Å; L96-I105 HydrophobicContact CB-CG2 3.88Å; L96-I105 HydrophobicContact CD1-CD1 3.41Å; L96-I105 VanDerWaalsContact CD1-CD1 3.41Å; L96-I105 HydrophobicContact CG-CD1 4.19Å
97Q93.7Very high92Very high118 Ų11879.1 Ų79.155%0.55136%0.364SS*.Hα-helixtrans-61.4-31.7172.7-72.1173.5-30.900112.2I93 S94 I105I93-Q97 HydrophobicContact CG2-CG 4.48Å; I93-Q97 WeakPolarHBondContact O-CG 3.36Å; I93-Q97 PolarHBondContact O-N 3.29Å; S94-Q97 PolarHBondContact O-N 2.86Å; Q97-I105 HydrophobicContact CB-CG2 4.3Å; Q97-I105 HydrophobicContact CG-CG2 3.41Å; Q97-I105 VanDerWaalsContact CG-CG2 3.41Å
98E93.7Very high92.4Very high157 Ų15770 Ų7073%0.73433%0.331SS*.THydrogen-bonded Turntrans-88.6-5.1177.5-63.8177.8176.500113.5S94 L96S94-E98 PolarHBondContact O-N 2.89Å; L96-E98 PolarHBondContact O-N 3.12Å
99H95.7Very high92.7Very high34 Ų3467.4 Ų67.416%0.15732%0.321CS..  trans-70.3131.3-174.8-171.1-75.3000111.3I56 R95 L96 D101 I102I56-H99 VanDerWaalsContact CD1-CE1 3.5Å; I56-H99 WeakPolarHBondContact CD1-CE1 3.31Å; R95-H99 PolarHBondContact O-N 3.39Å; L96-H99 VanDerWaalsContact O-CB 3.32Å; L96-H99 WeakPolarHBondContact O-CB 3.32Å; L96-H99 PolarHBondContact O-N 3.15Å; L96-H99 VanDerWaalsContact O-N 3.13Å; H99-D101 VanDerWaalsContact C-N 3.33Å; H99-D101 IonicContact CE1-OD2 3.48Å; H99-D101 PolarHBondContact ND1-N 2.84Å; H99-D101 PolarHBondContact O-N 3.13Å; H99-I102 HydrophobicContact CB-CB 4.11Å; H99-I102 HydrophobicContact CB-CD1 3.82Å; H99-I102 HydrophobicContact CB-CG1 3.93Å; H99-I102 PolarHBondContact O-N 3.33Å
100P95.8Very high93.1Very high99 Ų9965.8 Ų65.864%0.64332%0.318SS*.THydrogen-bonded Turntrans-61.4-35.8-170.822.2-34.3000114.1R46R46-P100 VanDerWaalsContact CD-O 3.26Å; R46-P100 WeakPolarHBondContact CD-O 3.4Å; R46-P100 PolarHBondContact NE-O 2.85Å
101D96.4Very high93.4Very high55 Ų5559.4 Ų59.429%0.29429%0.294SS..THydrogen-bonded Turntrans-80.8-13.4178.9-67.3-59.6000114.3L45 R46 K52 I56 H99L45-D101 WeakPolarHBondContact CA-O 3.02Å; R46-D101 PolarHBondContact N-O 3.18Å; K52-D101 HydrophobicContact CD-CB 4Å; K52-D101 WeakPolarHBondContact CD-OD2 3.4Å; K52-D101 IonicContact NZ-OD1 3.91Å; K52-D101 PolarHBondContact NZ-OD1 3.12Å; K52-D101 IonicContact NZ-OD2 3.65Å; K52-D101 PolarHBondContact NZ-OD2 3.37Å; I56-D101 HydrophobicContact CD1-CB 4.01Å; H99-D101 VanDerWaalsContact C-N 3.33Å; H99-D101 IonicContact CE1-OD2 3.48Å; H99-D101 PolarHBondContact ND1-N 2.84Å; H99-D101 PolarHBondContact O-N 3.13Å
102I96.5Very high93.4Very high1 Ų157.6 Ų57.61%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-89.4129.4-178.6-65.4-177.2000108.4M43 L45 R46 I56 L96 H99 S104 I105M43-I102 HydrophobicContact CG-CD1 3.89Å; M43-I102 HydrophobicContact CG-CG1 4.21Å; M43-I102 HydrophobicContact SD-CD1 3.62Å; M43-I102 HydrophobicContact SD-CG1 4.21Å; L45-I102 HydrophobicContact CD2-CG1 4.03Å; R46-I102 PolarHBondContact NE-O 2.9Å; R46-I102 PolarHBondContact NH2-O 2.85Å; I56-I102 HydrophobicContact CG2-CD1 4.04Å; L96-I102 HydrophobicContact CB-CD1 3.8Å; L96-I102 HydrophobicContact CD2-CD1 3.43Å; L96-I102 VanDerWaalsContact CD2-CD1 3.43Å; L96-I102 HydrophobicContact CG-CD1 4.19Å; L96-I102 WeakPolarHBondContact O-CB 3.47Å; L96-I102 WeakPolarHBondContact O-CD1 3.23Å; L96-I102 WeakPolarHBondContact O-CG2 3.36Å; H99-I102 HydrophobicContact CB-CB 4.11Å; H99-I102 HydrophobicContact CB-CD1 3.82Å; H99-I102 HydrophobicContact CB-CG1 3.93Å; H99-I102 PolarHBondContact O-N 3.33Å; I102-S104 VanDerWaalsContact CG2-O 3.29Å; I102-S104 WeakPolarHBondContact CG2-O 3.5Å; I102-I105 HydrophobicContact CG2-CB 4.43Å
103L95.9Very high93.6Very high92 Ų9258.6 Ų58.648%0.48229%0.293SS..EExtended strand (participates in β ladder)trans-82.6-48.4171.6179.662000110.3R44 R46R44-L103 HydrophobicContact CG-CB 4.46Å; R44-L103 HydrophobicContact CG-CD2 4.34Å; R44-L103 WeakPolarHBondContact O-CB 3.13Å; R44-L103 PolarHBondContact O-N 3.46Å; R46-L103 HydrophobicContact CG-CB 3.95Å; R46-L103 HydrophobicContact CG-CD1 4.46Å
104S95.6Very high93.6Very high36 Ų3663.9 Ų63.925%0.25231%0.312SS..EExtended strand (participates in β ladder)trans-152.5156.3173.966.60000111.3R44 I102 E106R44-S104 PolarHBondContact N-O 2.86Å; R44-S104 PolarHBondContact O-N 3.48Å; I102-S104 VanDerWaalsContact CG2-O 3.29Å; I102-S104 WeakPolarHBondContact CG2-O 3.5Å; S104-E106 PolarHBondContact OG-OE1 2.71Å
105I95.4Very high93.5Very high3 Ų362.8 Ų62.82%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-138.9127166.4-175.9169.1000108.6T41 V42 M43 I93 L96 Q97 I102T41-I105 HydrophobicContact CG2-CD1 4.29Å; T41-I105 HydrophobicContact CG2-CG1 4.06Å; V42-I105 VanDerWaalsContact O-CA 3.27Å; V42-I105 WeakPolarHBondContact O-CA 3.43Å; M43-I105 HydrophobicContact CB-CD1 4.44Å; M43-I105 HydrophobicContact CB-CG1 4.48Å; I93-I105 HydrophobicContact CD1-CD1 3.65Å; I93-I105 HydrophobicContact CD1-CG1 4.1Å; I93-I105 HydrophobicContact CG2-CG2 4.17Å; L96-I105 HydrophobicContact CB-CD1 3.74Å; L96-I105 HydrophobicContact CB-CG2 3.88Å; L96-I105 HydrophobicContact CD1-CD1 3.41Å; L96-I105 VanDerWaalsContact CD1-CD1 3.41Å; L96-I105 HydrophobicContact CG-CD1 4.19Å; Q97-I105 HydrophobicContact CB-CG2 4.3Å; Q97-I105 HydrophobicContact CG-CG2 3.41Å; Q97-I105 VanDerWaalsContact CG-CG2 3.41Å; I102-I105 HydrophobicContact CG2-CB 4.43Å
106E92.5Very high93.3Very high95 Ų9557.1 Ų57.144%0.44428%0.279SS..EExtended strand (participates in β ladder)trans-138.5129.7-167.1-69.1169.8-147.900110.7T41 V42 S104T41-E106 WeakPolarHBondContact CA-O 3.39Å; V42-E106 PolarHBondContact N-O 2.97Å; V42-E106 PolarHBondContact O-N 2.96Å; S104-E106 PolarHBondContact OG-OE1 2.71Å
107E92Very high92.5Very high77 Ų7759.8 Ų59.836%0.3629%0.294SS..EExtended strand (participates in β ladder)trans-82.4121.4166.4-71.5-173.7130.200108.7P38 T41P38-E107 HydrophobicContact CB-CB 3.89Å; P38-E107 HydrophobicContact CG-CB 4.05Å; T41-E107 HydrophobicContact CG2-CG 4.39Å
108Q92.7Very high91Very high17 Ų1756.8 Ų56.88%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-108.4140.1-177.1-62.7-162.3-17.400111.6P38 S39 H40 S278 S280 L315P38-Q108 CarbonylContact C-O 3.59Å; P38-Q108 VanDerWaalsContact CA-O 3.29Å; P38-Q108 WeakPolarHBondContact CA-O 3.44Å; S39-Q108 PolarHBondContact N-O 3.02Å; H40-Q108 HydrophobicContact CB-CB 4.47Å; H40-Q108 PolarHBondContact N-O 2.94Å; H40-Q108 PolarHBondContact O-N 3.27Å; Q108-S278 PolarHBondContact OE1-OG 2.83Å; Q108-S280 PolarHBondContact OE1-OG 3.43Å; Q108-L315 VanDerWaalsContact NE2-CD1 3.26Å
109R91Very high88.6Confident87 Ų8756.3 Ų56.333%0.32828%0.281SS..  trans-95.5150.5179.8-73.4176179.875.4-0.2111P36 P38P36-R109 HydrophobicContact CG-CB 4.33Å; P36-R109 WeakPolarHBondContact O-CD 3.35Å; P36-R109 WeakPolarHBondContact O-CG 3.34Å; P36-R109 PolarHBondContact O-NE 3.3Å; P36-R109 VanDerWaalsContact O-NE 3.14Å; P38-R109 HydrophobicContact CG-CG 4.39Å
110P92.3Very high86.3Confident42 Ų4261.1 Ų61.127%0.27330%0.299SS..  trans-65.1145.6172.329.4-33.7000110.2P36 E37 P276 V277P36-P110 HydrophobicContact CB-CG 3.87Å; P36-P110 HydrophobicContact CG-CG 4.15Å; E37-P110 VanDerWaalsContact O-CD 3.29Å; E37-P110 WeakPolarHBondContact O-CD 3.33Å; P110-P276 HydrophobicContact CB-CB 4.08Å; P110-V277 CarbonylContact C-O 3.48Å; P110-V277 WeakPolarHBondContact CA-O 3.22Å
111R92Very high83.5Confident40 Ų4061.4 Ų61.415%0.15130%0.3CS..  trans-115.6142.5171.4-57.6-175.6174-166.6-11.3107.6R113 V277 G311R111-R113 PolarHBondContact O-N 3.35Å; R111-V277 PolarHBondContact N-O 3.42Å; R111-G311 PolarHBondContact NH1-O 2.77Å
112V89.8Confident80.6Confident66 Ų6662.4 Ų62.440%0.431%0.306SS..  trans-73.9121.2177.4-176.40000108.2R114 E303V112-R114 HydrophobicContact CG1-CG 4.49Å; V112-E303 HydrophobicContact CB-CG 4.07Å; V112-E303 HydrophobicContact CG1-CG 3.57Å
113R93.9Very high77.5Confident23 Ų2369.9 Ų69.99%0.08734%0.344CS..  trans-121.7129.9171.4-60.1-60173.1-120.113.3109.1R111 L273 V277 E282 W300 G301 D310 G311 Y354R111-R113 PolarHBondContact O-N 3.35Å; R113-L273 HydrophobicContact CB-CD2 4.12Å; R113-V277 HydrophobicContact CB-CG2 4.42Å; R113-V277 HydrophobicContact CG-CB 4.07Å; R113-V277 HydrophobicContact CG-CG1 3.82Å; R113-V277 HydrophobicContact CG-CG2 4.39Å; R113-E282 IonicContact CZ-OE1 3.24Å; R113-E282 VanDerWaalsContact CZ-OE1 3.3Å; R113-E282 IonicContact NE-OE1 2.82Å; R113-E282 PolarHBondContact NE-OE1 3.11Å; R113-E282 IonicContact NH2-OE1 3.48Å; R113-E282 PolarHBondContact NH2-OE1 3.24Å; R113-E282 VanDerWaalsContact NH2-OE1 3.1Å; R113-W300 HydrophobicContact CB-CE3 4.16Å; R113-W300 HydrophobicContact CG-CE3 4.07Å; R113-W300 HydrophobicContact CG-CZ3 4.15Å; R113-G301 CarbonylContact C-O 3.55Å; R113-G301 VanDerWaalsContact CA-O 3.23Å; R113-G301 WeakPolarHBondContact CA-O 3.47Å; R113-D310 IonicContact CZ-OD2 2.82Å; R113-D310 IonicContact NH1-OD2 3.27Å; R113-D310 PolarHBondContact NH1-OD2 3.04Å; R113-D310 IonicContact NH2-OD2 3.78Å; R113-D310 PolarHBondContact NH2-OD2 3.25Å; R113-G311 PolarHBondContact NH2-O 2.68Å; R113-Y354 PolarHBondContact NE-OH 2.79Å; R113-Y354 VanDerWaalsContact NE-OH 3.15Å; R113-Y354 PolarHBondContact NH2-OH 3.34Å
114R90.6Very high74.4Confident124 Ų12467.8 Ų67.847%0.46834%0.34SS..EExtended strand (participates in β ladder)trans-107.2127.8179.4-58.7-59.6-176.9-179.2-1.9108.8V112 W300 G301 E303V112-R114 HydrophobicContact CG1-CG 4.49Å; R114-W300 CarbonylContact O-C 3.48Å; R114-W300 WeakPolarHBondContact O-CA 3.24Å; R114-W300 VanDerWaalsContact O-CB 3.27Å; R114-W300 WeakPolarHBondContact O-CB 3.44Å; R114-G301 PolarHBondContact N-O 3.33Å; R114-G301 PolarHBondContact O-N 2.93Å; R114-E303 HydrophobicContact CG-CG 4.21Å; R114-E303 IonicContact CZ-OE1 3.47Å; R114-E303 IonicContact NE-OE1 2.81Å; R114-E303 PolarHBondContact NE-OE1 3.49Å; R114-E303 IonicContact NH2-OE1 3.98Å; R114-E303 PolarHBondContact NH2-OE1 2.7Å
115K90.5Very high71.2Confident32 Ų3274.5 Ų74.514%0.13937%0.367CS..EExtended strand (participates in β ladder)trans-56.1142.7161.8-63.9170-175.7174.40107.6D117 D202 D237 H240 L273 S299K115-D117 PolarHBondContact O-N 3.08Å; K115-D202 WeakPolarHBondContact CE-OD2 3.46Å; K115-D202 IonicContact NZ-OD2 3.85Å; K115-D202 PolarHBondContact NZ-OD2 3.36Å; K115-D237 PolarHBondContact NZ-O 2.91Å; K115-H240 HydrophobicContact CD-CB 3.7Å; K115-L273 HydrophobicContact CG-CD1 3.71Å; K115-S299 CarbonylContact C-O 3.48Å
116R87.6Confident68Low1 Ų183 Ų830%0.00441%0.407CS..SBendtrans-8942.4177.4-50.9-51.8-168.3127.1-0.2110.6S299 D304 A338 N341 D352 E377 T413 S414R116-S299 WeakPolarHBondContact CG-O 3.46Å; R116-S299 PolarHBondContact N-O 2.87Å; R116-D304 IonicContact CZ-OD1 2.66Å; R116-D304 VanDerWaalsContact CZ-OD1 3.27Å; R116-D304 IonicContact CZ-OD2 3.77Å; R116-D304 IonicContact NH1-OD1 2.78Å; R116-D304 PolarHBondContact NH1-OD1 2.93Å; R116-D304 IonicContact NH1-OD2 3.66Å; R116-D304 PolarHBondContact NH1-OD2 2.81Å; R116-D304 IonicContact NH2-OD1 3.64Å; R116-A338 HydrophobicContact CB-CB 4.23Å; R116-A338 HydrophobicContact CG-CB 3.88Å; R116-N341 PolarHBondContact O-ND2 3.45Å; R116-D352 IonicContact CZ-OD2 2.75Å; R116-D352 IonicContact NH2-OD2 2.96Å; R116-D352 PolarHBondContact NH2-OD2 3.01Å; R116-E377 IonicContact NH1-OE1 3.56Å; R116-E377 PolarHBondContact NH1-OE1 2.98Å; R116-T413 VanDerWaalsContact CB-OG1 3.28Å; R116-T413 WeakPolarHBondContact CB-OG1 3.2Å; R116-S414 WeakPolarHBondContact CA-OG 3.35Å; R116-S414 PolarHBondContact N-OG 3.03Å; R116-S414 VanDerWaalsContact O-CB 3.32Å; R116-S414 WeakPolarHBondContact O-CB 3.08Å; R116-S414 PolarHBondContact O-N 3.42Å; R116-S414 PolarHBondContact O-OG 3.45Å
117D78.3Confident65Low57 Ų5787.1 Ų87.131%0.30543%0.431SS..  trans-87.4-177.3172.159.59.2000111.8K115 H240 N341 S414K115-D117 PolarHBondContact O-N 3.08Å; D117-H240 IonicContact OD2-CD2 3.69Å; D117-N341 PolarHBondContact O-ND2 3.13Å; D117-S414 PolarHBondContact N-OG 3.23Å
118F63.5Low61.9Low55 Ų5588.8 Ų88.824%0.24146%0.457CS..  trans-121.7139.8178.3-161.1-94.9000113.4Y120 W374 Y375 T411F118-Y120 AromaticContact CD1-CD2 3.47Å; F118-Y120 HydrophobicContact CD1-CD2 3.47Å; F118-Y120 VanDerWaalsContact CD1-CD2 3.47Å; F118-Y120 AromaticContact CD1-CE2 3.82Å; F118-Y120 HydrophobicContact CD1-CE2 3.82Å; F118-Y120 HydrophobicContact CD1-CG 4.26Å; F118-Y120 AromaticContact CE1-CD2 3.36Å; F118-Y120 HydrophobicContact CE1-CD2 3.36Å; F118-Y120 AromaticContact CE1-CE2 3.28Å; F118-Y120 HydrophobicContact CE1-CE2 3.28Å; F118-Y120 HydrophobicContact CE1-CG 4.08Å; F118-Y120 AromaticContact CE1-CZ 3.96Å; F118-Y120 HydrophobicContact CZ-CE2 4.34Å; F118-Y120 PolarHBondContact O-N 3.27Å; F118-Y120 VanDerWaalsContact O-N 3.15Å; F118-W374 HydrophobicContact CD2-CH2 4.05Å; F118-W374 AromaticContact CD2-CZ2 4Å; F118-W374 HydrophobicContact CD2-CZ2 4Å; F118-W374 HydrophobicContact CE1-CH2 4.26Å; F118-W374 AromaticContact CE1-CZ2 3.92Å; F118-W374 HydrophobicContact CE1-CZ2 3.92Å; F118-W374 AromaticContact CE2-CH2 2.96Å; F118-W374 HydrophobicContact CE2-CH2 2.96Å; F118-W374 AromaticContact CE2-CZ2 3.2Å; F118-W374 HydrophobicContact CE2-CZ2 3.2Å; F118-W374 AromaticContact CE2-CZ3 3.94Å; F118-W374 HydrophobicContact CE2-CZ3 3.94Å; F118-W374 AromaticContact CZ-CH2 3.11Å; F118-W374 HydrophobicContact CZ-CH2 3.11Å; F118-W374 AromaticContact CZ-CZ2 3.17Å; F118-W374 HydrophobicContact CZ-CZ2 3.17Å; F118-W374 HydrophobicContact CZ-CZ3 4.38Å; F118-Y375 HydrophobicContact CD2-CD1 4.47Å; F118-T411 HydrophobicContact CB-CG2 3.55Å
119L42.7Very low58.9Low147 Ų14791.6 Ų91.677%0.7749%0.491SS*.  trans-84.949.2-171-65.3165.5000114.7
120Y46.8Very low56Low135 Ų13592.9 Ų92.953%0.52951%0.513SS..  trans-100.7128.3156.1-72.8-62.3000107.9F118 D122 M392F118-Y120 AromaticContact CD1-CD2 3.47Å; F118-Y120 HydrophobicContact CD1-CD2 3.47Å; F118-Y120 VanDerWaalsContact CD1-CD2 3.47Å; F118-Y120 AromaticContact CD1-CE2 3.82Å; F118-Y120 HydrophobicContact CD1-CE2 3.82Å; F118-Y120 HydrophobicContact CD1-CG 4.26Å; F118-Y120 AromaticContact CE1-CD2 3.36Å; F118-Y120 HydrophobicContact CE1-CD2 3.36Å; F118-Y120 AromaticContact CE1-CE2 3.28Å; F118-Y120 HydrophobicContact CE1-CE2 3.28Å; F118-Y120 HydrophobicContact CE1-CG 4.08Å; F118-Y120 AromaticContact CE1-CZ 3.96Å; F118-Y120 HydrophobicContact CZ-CE2 4.34Å; F118-Y120 PolarHBondContact O-N 3.27Å; F118-Y120 VanDerWaalsContact O-N 3.15Å; Y120-D122 PolarHBondContact O-N 3.14Å; Y120-M392 HydrophobicContact CD1-SD 4.19Å; Y120-M392 HydrophobicContact CD2-CG 4.01Å; Y120-M392 HydrophobicContact CD2-SD 4.06Å; Y120-M392 HydrophobicContact CE1-SD 4.3Å; Y120-M392 HydrophobicContact CE2-CG 3.88Å; Y120-M392 HydrophobicContact CE2-SD 4.17Å; Y120-M392 HydrophobicContact CG-SD 4.1Å
121P37.6Very low52.9Low104 Ų10495.7 Ų95.768%0.67553%0.534SS*.  trans-52.9138.7163.9-16.828.8000107.8I123P121-I123 VanDerWaalsContact C-N 3.31Å; P121-I123 PolarHBondContact O-N 3.4Å
122D35.9Very low50Low77 Ų7799.6 Ų99.641%0.41256%0.563SS.*  trans-52.992.7179.6-68.7-54.7000110.1Y120 K239 R243Y120-D122 PolarHBondContact O-N 3.14Å; D122-K239 WeakPolarHBondContact OD2-CE 3.19Å; D122-K239 IonicContact OD2-NZ 3.52Å; D122-K239 PolarHBondContact OD2-NZ 3.14Å; D122-R243 IonicContact OD1-CZ 3.48Å; D122-R243 IonicContact OD1-NH1 3.49Å; D122-R243 IonicContact OD1-NH2 2.76Å; D122-R243 PolarHBondContact OD1-NH2 3.2Å; D122-R243 VanDerWaalsContact OD1-NH2 3.13Å; D122-R243 IonicContact OD2-NH2 3.37Å; D122-R243 PolarHBondContact OD2-NH2 3.1Å
123I31.2Very low46.9Very low157 Ų157103.7 Ų103.781%0.80558%0.582SS**  trans-106.870.2164.2-53.5176.5000104.9P121P121-I123 VanDerWaalsContact C-N 3.31Å; P121-I123 PolarHBondContact O-N 3.4Å
124A31.3Very low43.9Very low48 Ų48109.9 Ų109.940%0.39762%0.615SS.*  trans-12253176.700000109.6S409A124-S409 WeakPolarHBondContact CB-OG 3.22Å
125H27.8Very low40.8Very low177 Ų177115.3 Ų115.382%0.81964%0.636SS**  trans-114.7134.9156.6-82.3-73.5000107.6
126E28.3Very low37.8Very low183 Ų183122.3 Ų122.386%0.85567%0.669SS**  trans81.178.5171.3-53.3-175.6161.500117.5
127L29.7Very low34.9Very low181 Ų181129.1 Ų129.195%0.94871%0.71SS**  trans-146.688.1133.4-78.6-176.1000109
128A27Very low32.6Very low111 Ų111129.9 Ų129.992%0.91773%0.732SS**  trans-91126.3166.800000109
129G28.9Very low30.8Very low76 Ų76135.9 Ų135.978%0.78477%0.765SS**  trans141.3106160.300000115.6
130S31.2Very low30.5Very low114 Ų114136.7 Ų136.780%0.79777%0.769SS**  157112.8105.4-166.50000109.4
131S27Very low29.7Very low101 Ų101135 Ų13571%0.70678%0.777SS**  trans-70.5126.3177.6178.60000110.4
132T30.3Very low29.6Very low123 Ų123136.9 Ų136.976%0.75578%0.781SS**  trans-122.2119.216346.40000110.2
133N24.8Very low29.4Very low152 Ų152139.8 Ų139.881%0.81380%0.802SS**  trans-74.8122.1175.1-72.9-49.2000109.5
134I30.7Very low29.6Very low153 Ų153139.6 Ų139.679%0.78580%0.798SS**  trans-124.4127.1165.9-59.7-178.5000109.1
135R26.1Very low29.8Very low237 Ų237142.6 Ų142.689%0.89481%0.813SS**  trans-81.1133.3-174.6-71.9176.4169.9179.7-3.7110.8
136H26.8Very low30.1Very low179 Ų179146.3 Ų146.383%0.82982%0.82SS**  trans-68.1127.9169.6-76.5-85.9000111.8
137T27.3Very low31Very low144 Ų144141.1 Ų141.188%0.88380%0.797SS**  trans-149.7129.8156.653.50000110
138G29.3Very low31.8Very low73 Ų73140.6 Ų140.675%0.75380%0.795SS**  trans140.189.2155.300000116.6
139L26.8Very low33Very low181 Ų181140.2 Ų140.295%0.94877%0.773SS**  trans-44.6131.3168.7-71.2135.7000114.5
140I35Very low34.3Very low165 Ų165142.7 Ų142.785%0.84677%0.767SS**  trans-108.1111.9159.4-62.4176.5000108
141S30.6Very low35.6Very low99 Ų99145.8 Ų145.869%0.69277%0.769SS**  trans-81.1131.5162.3164.80000108.5
142N35Very low38Very low143 Ų143144 Ų14477%0.76575%0.749SS**  trans-164.5134.5142.5-93.2-19.4000111.4
143T32.4Very low40.7Very low139 Ų139144.8 Ų144.885%0.85375%0.749SS**  trans-71.1118.8177.544.90000111.1
144E35.3Very low43.9Very low152 Ų152139.9 Ų139.971%0.7173%0.729SS**  trans-120154.9169.5-79.4-172.6-179.900111.5
145P36.1Very low46.9Very low111 Ų111133.9 Ų133.972%0.72170%0.701SS**  trans-68142.6-173.8-12.828.2000112.6I147P145-I147 PolarHBondContact O-N 3.47Å; P145-I147 VanDerWaalsContact O-N 3.11Å
146R34.4Very low50.1Low255 Ų255128.9 Ų128.996%0.96270%0.696SS**  trans-64.7107.6177.9-73.6-175.1-176.3-160.50.1111
147I46Very low53.3Low74 Ų74122.6 Ų122.638%0.37967%0.668SS.*  trans-101.4141.1162.6-61.8176.6000106.3P145 F149 I487P145-I147 PolarHBondContact O-N 3.47Å; P145-I147 VanDerWaalsContact O-N 3.11Å; I147-F149 VanDerWaalsContact C-N 3.29Å; I147-F149 HydrophobicContact CB-CE2 4.32Å; I147-F149 WeakPolarHBondContact O-CD2 3.39Å; I147-F149 PolarHBondContact O-N 2.92Å; I147-I487 HydrophobicContact CD1-CG2 3.39Å
148D46.6Very low56.6Low170 Ų170119.6 Ų119.691%0.90965%0.651SS**  trans-66.787.8177.5-82.6-25.9000109.8
149F52.4Low59.9Low103 Ų103117 Ų11745%0.45262%0.619SS.*  trans-69.3131.6172.4-69.3-83000109.3I147 Q151 L486I147-F149 VanDerWaalsContact C-N 3.29Å; I147-F149 HydrophobicContact CB-CE2 4.32Å; I147-F149 WeakPolarHBondContact O-CD2 3.39Å; I147-F149 PolarHBondContact O-N 2.92Å; F149-Q151 VanDerWaalsContact C-N 3.26Å; F149-Q151 PolarHBondContact O-N 3.14Å; F149-L486 HydrophobicContact CD1-CD2 4.35Å; F149-L486 HydrophobicContact CE1-CD1 3.59Å; F149-L486 HydrophobicContact CE1-CD2 4.01Å; F149-L486 HydrophobicContact CE1-CG 4.41Å; F149-L486 HydrophobicContact CZ-CD1 4.31Å
150I55.8Low63.3Low128 Ų128112.2 Ų112.266%0.65660%0.599SS**  trans-64.2101151.2-59.5175.5000104.6H152I150-H152 VanDerWaalsContact C-N 3.31Å; I150-H152 VanDerWaalsContact CG2-CE1 3.41Å; I150-H152 WeakPolarHBondContact CG2-CE1 3.25Å; I150-H152 WeakPolarHBondContact CG2-NE2 3.42Å; I150-H152 PolarHBondContact O-N 3.33Å
151Q59.4Low66.3Low180 Ų180104.6 Ų104.684%0.84156%0.56SS**  trans-73.489.7-177.2-168.6174.7-4.900108.5F149F149-Q151 VanDerWaalsContact C-N 3.26Å; F149-Q151 PolarHBondContact O-N 3.14Å
152H78.1Confident69.5Low62 Ų62103.5 Ų103.529%0.28755%0.551SS.*PPolyproline II helixtrans-75.7143.4167.8-67.7-54000109.6I150 A154 G189 E429I150-H152 VanDerWaalsContact C-N 3.31Å; I150-H152 VanDerWaalsContact CG2-CE1 3.41Å; I150-H152 WeakPolarHBondContact CG2-CE1 3.25Å; I150-H152 WeakPolarHBondContact CG2-NE2 3.42Å; I150-H152 PolarHBondContact O-N 3.33Å; H152-A154 PolarHBondContact O-N 2.94Å; H152-G189 VanDerWaalsContact CB-O 3.31Å; H152-G189 WeakPolarHBondContact CB-O 3.49Å; H152-E429 IonicContact CD2-OE1 3.92Å; H152-E429 IonicContact NE2-OE1 3.34Å
153D85.5Confident72.5Confident141 Ų14197.2 Ų97.275%0.75452%0.517SS*.PPolyproline II helixtrans-63.5123.6173-67.1-37.5000109.4
154A91.6Very high75.6Confident48 Ų4890.6 Ų90.640%0.39748%0.476SS..PPolyproline II helixtrans-67140.8170.500000109.5H152H152-A154 PolarHBondContact O-N 2.94Å
155P93.7Very high78.6Confident28 Ų2890.8 Ų90.818%0.18248%0.475CS..PPolyproline II helixtrans-68.2151.917729.9-33000111.1F159 W186 F263P155-F159 HydrophobicContact CB-CE1 3.67Å; P155-F159 HydrophobicContact CB-CZ 3.56Å; P155-F159 HydrophobicContact CG-CE1 4.5Å; P155-F159 HydrophobicContact CG-CZ 3.9Å; P155-W186 WeakPolarHBondContact CD-O 3.32Å; P155-W186 HydrophobicContact CG-CB 3.91Å; P155-F263 HydrophobicContact CB-CZ 4.45Å; P155-F263 HydrophobicContact CG-CZ 4.28Å
156V93.6Very high81.5Confident132 Ų13289.5 Ų89.580%0.846%0.459SS*.PPolyproline II helixtrans-82.3118.4170.9-179.30000108.6
157L95.1Very high84.5Confident46 Ų4677.5 Ų77.524%0.24141%0.414CS..SBendtrans-103.1152.4178.8-61.9178.1000111.4F159 Q183 W186 L187L157-F159 HydrophobicContact CD2-CD2 3.56Å; L157-F159 HydrophobicContact CD2-CE1 4.42Å; L157-F159 HydrophobicContact CD2-CE2 3.38Å; L157-F159 HydrophobicContact CD2-CG 4.18Å; L157-F159 HydrophobicContact CD2-CZ 3.85Å; L157-Q183 HydrophobicContact CD1-CB 4.08Å; L157-Q183 HydrophobicContact CD1-CG 4.04Å; L157-W186 HydrophobicContact CD2-CE3 4.17Å; L157-W186 HydrophobicContact CD2-CZ3 4.45Å; L157-L187 HydrophobicContact CD1-CD2 4.34Å; L157-L187 HydrophobicContact CD1-CG 4.41Å
158P96.2Very high87Confident81 Ų8174.6 Ų74.653%0.52640%0.398SS..SBendcis-73.6152.4-6.232.2-35.5000111.9Y164P158-Y164 HydrophobicContact CB-CD1 3.98Å; P158-Y164 HydrophobicContact CB-CE1 3.69Å
159F97.8Very high89.5Confident19 Ų1966.6 Ų66.68%0.08336%0.355CS..PPolyproline II helixtrans-63.6150173.5-69.2-69000111.6P155 L157 D161 Y164 W186 A252 V259 F263P155-F159 HydrophobicContact CB-CE1 3.67Å; P155-F159 HydrophobicContact CB-CZ 3.56Å; P155-F159 HydrophobicContact CG-CE1 4.5Å; P155-F159 HydrophobicContact CG-CZ 3.9Å; L157-F159 HydrophobicContact CD2-CD2 3.56Å; L157-F159 HydrophobicContact CD2-CE1 4.42Å; L157-F159 HydrophobicContact CD2-CE2 3.38Å; L157-F159 HydrophobicContact CD2-CG 4.18Å; L157-F159 HydrophobicContact CD2-CZ 3.85Å; F159-D161 WeakPolarHBondContact CB-OD2 3.29Å; F159-D161 PolarHBondContact O-N 2.85Å; F159-Y164 HydrophobicContact CB-CD1 3.96Å; F159-Y164 HydrophobicContact CB-CD2 4.46Å; F159-Y164 HydrophobicContact CB-CE1 4.35Å; F159-Y164 HydrophobicContact CB-CG 4.03Å; F159-Y164 HydrophobicContact CD2-CD1 4.49Å; F159-Y164 HydrophobicContact CD2-CD2 4.1Å; F159-Y164 HydrophobicContact CD2-CE1 4.22Å; F159-Y164 AromaticContact CD2-CE2 3.81Å; F159-Y164 HydrophobicContact CD2-CE2 3.81Å; F159-Y164 HydrophobicContact CD2-CG 4.44Å; F159-Y164 AromaticContact CD2-CZ 3.87Å; F159-W186 HydrophobicContact CD2-CZ3 4.17Å; F159-W186 HydrophobicContact CE2-CD2 4.45Å; F159-W186 AromaticContact CE2-CE3 3.79Å; F159-W186 HydrophobicContact CE2-CE3 3.79Å; F159-W186 HydrophobicContact CE2-CH2 4.05Å; F159-W186 AromaticContact CE2-CZ3 3.58Å; F159-W186 HydrophobicContact CE2-CZ3 3.58Å; F159-A252 HydrophobicContact CD1-CB 3.92Å; F159-A252 HydrophobicContact CE1-CB 3.61Å; F159-A252 HydrophobicContact CE2-CB 4.31Å; F159-A252 HydrophobicContact CG-CB 4.41Å; F159-A252 HydrophobicContact CZ-CB 3.81Å; F159-V259 HydrophobicContact CB-CG2 3.92Å; F159-V259 HydrophobicContact CD2-CB 4.28Å; F159-V259 HydrophobicContact CD2-CG1 4.08Å; F159-V259 HydrophobicContact CD2-CG2 3.72Å; F159-V259 HydrophobicContact CE2-CG1 3.93Å; F159-V259 HydrophobicContact CE2-CG2 4.41Å; F159-V259 HydrophobicContact CG-CG2 3.92Å; F159-F263 HydrophobicContact CE2-CE1 4.23Å; F159-F263 HydrophobicContact CZ-CD1 4.44Å; F159-F263 AromaticContact CZ-CE1 3.79Å; F159-F263 HydrophobicContact CZ-CE1 3.79Å; F159-F263 AromaticContact CZ-CZ 3.84Å; F159-F263 HydrophobicContact CZ-CZ 3.84Å
160P97.8Very high91.7Very high81 Ų8161.7 Ų61.753%0.52633%0.334SS..SBendtrans-75.7-5.9-17933.1-37.8000113.8V255P160-V255 HydrophobicContact CB-CG2 4.23Å; P160-V255 HydrophobicContact CG-CG2 4.19Å
161D98.5Very high93.7Very high5 Ų557.4 Ų57.43%0.02731%0.312CS..  trans-61.1131.9-178.2-54.3-78.5000111.7F159 L163 Y164 G253 N254 V255 V259F159-D161 WeakPolarHBondContact CB-OD2 3.29Å; F159-D161 PolarHBondContact O-N 2.85Å; D161-L163 PolarHBondContact O-N 2.92Å; D161-L163 VanDerWaalsContact O-N 3.15Å; D161-Y164 WeakPolarHBondContact O-CB 3.45Å; D161-Y164 PolarHBondContact O-N 3.09Å; D161-Y164 VanDerWaalsContact O-N 3.1Å; D161-G253 PolarHBondContact OD1-N 3.36Å; D161-G253 VanDerWaalsContact OD2-CA 3.32Å; D161-G253 WeakPolarHBondContact OD2-CA 3.45Å; D161-G253 PolarHBondContact OD2-N 3.34Å; D161-N254 PolarHBondContact OD1-N 3.29Å; D161-N254 PolarHBondContact OD1-OD1 3.19Å; D161-V255 PolarHBondContact OD1-N 2.93Å; D161-V259 HydrophobicContact CB-CG2 4.18Å; D161-V259 WeakPolarHBondContact OD2-CG2 3.09Å
162P98.1Very high95.5Very high76 Ų7652.9 Ų52.949%0.49429%0.294SS..THydrogen-bonded Turntrans-62.7-30-165.823.1-33.9000113.5Y256 C257P162-Y256 WeakPolarHBondContact CG-O 3.32Å; P162-C257 WeakPolarHBondContact CD-O 3.09Å
163L98.3Very high96.4Very high10 Ų1051.5 Ų51.55%0.05230%0.297CS..THydrogen-bonded Turntrans-97.8-3.6-179-49.7-172.4000113.6D161 K165 E166 Q167 C257 I398 C406 R408D161-L163 PolarHBondContact O-N 2.92Å; D161-L163 VanDerWaalsContact O-N 3.15Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.07Å; L163-E166 WeakPolarHBondContact O-CA 3.3Å; L163-E166 WeakPolarHBondContact O-CB 3.39Å; L163-E166 PolarHBondContact O-N 3.12Å; L163-Q167 PolarHBondContact O-N 3Å; L163-C257 VanDerWaalsContact CB-O 3.3Å; L163-C257 WeakPolarHBondContact CB-O 3.49Å; L163-C257 PolarHBondContact N-O 3.21Å; L163-I398 HydrophobicContact CB-CD1 4.32Å; L163-I398 HydrophobicContact CB-CG2 3.68Å; L163-I398 HydrophobicContact CD1-CG2 3.8Å; L163-I398 HydrophobicContact CG-CG2 4.4Å; L163-C406 HydrophobicContact CD1-CB 3.57Å; L163-R408 VanDerWaalsContact CD2-CZ 3.44Å
164Y98.5Very high96.9Very high1 Ų145 Ų450%0.00426%0.262CS..G310 helixtrans-58-42.7-175173.6-113.4000112.6P158 F159 D161 E166 Q167 N171 Q183 W186 V259P158-Y164 HydrophobicContact CB-CD1 3.98Å; P158-Y164 HydrophobicContact CB-CE1 3.69Å; F159-Y164 HydrophobicContact CB-CD1 3.96Å; F159-Y164 HydrophobicContact CB-CD2 4.46Å; F159-Y164 HydrophobicContact CB-CE1 4.35Å; F159-Y164 HydrophobicContact CB-CG 4.03Å; F159-Y164 HydrophobicContact CD2-CD1 4.49Å; F159-Y164 HydrophobicContact CD2-CD2 4.1Å; F159-Y164 HydrophobicContact CD2-CE1 4.22Å; F159-Y164 AromaticContact CD2-CE2 3.81Å; F159-Y164 HydrophobicContact CD2-CE2 3.81Å; F159-Y164 HydrophobicContact CD2-CG 4.44Å; F159-Y164 AromaticContact CD2-CZ 3.87Å; D161-Y164 WeakPolarHBondContact O-CB 3.45Å; D161-Y164 PolarHBondContact O-N 3.09Å; D161-Y164 VanDerWaalsContact O-N 3.1Å; Y164-E166 PolarHBondContact O-N 3.31Å; Y164-Q167 WeakPolarHBondContact O-CB 3.29Å; Y164-Q167 PolarHBondContact O-N 3.4Å; Y164-N171 PolarHBondContact O-ND2 3.23Å; Y164-N171 PolarHBondContact OH-OD1 3.33Å; Y164-Q183 PolarHBondContact OH-NE2 2.8Å; Y164-W186 HydrophobicContact CE2-CH2 4.06Å; Y164-W186 AromaticContact CE2-CZ3 3.79Å; Y164-W186 HydrophobicContact CE2-CZ3 3.79Å; Y164-V259 HydrophobicContact CD2-CB 4.02Å; Y164-V259 HydrophobicContact CD2-CG2 3.8Å; Y164-V259 HydrophobicContact CE2-CB 4.5Å; Y164-V259 HydrophobicContact CG-CG2 4.29Å
165K97.1Very high97.2Very high156 Ų15648.5 Ų48.568%0.67827%0.271SS*.G310 helixtrans-65.6-24.1178.1-65.4-178.3-177.4175.90113.4L163L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.07Å
166E97.4Very high97.3Very high83 Ų8350.5 Ų50.539%0.38830%0.296SS..G310 helixtrans-83.6-12.4177.3-61.8-178.7-122.100111.8L163 Y164 W168 I398 R408L163-E166 WeakPolarHBondContact O-CA 3.3Å; L163-E166 WeakPolarHBondContact O-CB 3.39Å; L163-E166 PolarHBondContact O-N 3.12Å; Y164-E166 PolarHBondContact O-N 3.31Å; E166-W168 PolarHBondContact O-N 3.49Å; E166-I398 VanDerWaalsContact C-CD1 3.47Å; E166-I398 HydrophobicContact CB-CD1 3.27Å; E166-R408 IonicContact OE1-CZ 3.62Å; E166-R408 IonicContact OE1-NE 3.47Å; E166-R408 PolarHBondContact OE1-NE 3.4Å; E166-R408 IonicContact OE1-NH2 2.89Å; E166-R408 PolarHBondContact OE1-NH2 3.41Å; E166-R408 IonicContact OE2-CZ 3.72Å; E166-R408 IonicContact OE2-NE 2.82Å; E166-R408 PolarHBondContact OE2-NE 2.64Å; E166-R408 IonicContact OE2-NH2 3.71Å
167Q98.3Very high97.5Very high3 Ų346 Ų461%0.01428%0.277CS..  trans-72.367172.4-64.5-179.4-83.800110.7L163 Y164 Y169 L170 N171 V259 I398L163-Q167 PolarHBondContact O-N 3Å; Y164-Q167 WeakPolarHBondContact O-CB 3.29Å; Y164-Q167 PolarHBondContact O-N 3.4Å; Q167-Y169 HydrophobicContact CB-CE1 4Å; Q167-Y169 HydrophobicContact CB-CE2 4.34Å; Q167-Y169 HydrophobicContact CG-CE1 4.24Å; Q167-Y169 WeakPolarHBondContact CG-OH 3.37Å; Q167-Y169 PolarHBondContact NE2-OH 3.5Å; Q167-Y169 PolarHBondContact O-N 3.4Å; Q167-Y169 VanDerWaalsContact O-N 3.07Å; Q167-L170 HydrophobicContact CB-CB 4.41Å; Q167-L170 HydrophobicContact CB-CD1 4.15Å; Q167-L170 HydrophobicContact CB-CG 4.26Å; Q167-L170 PolarHBondContact O-N 2.99Å; Q167-N171 PolarHBondContact O-N 2.97Å; Q167-N171 PolarHBondContact O-ND2 3.17Å; Q167-V259 PolarHBondContact NE2-O 2.94Å; Q167-I398 HydrophobicContact CG-CB 3.96Å; Q167-I398 HydrophobicContact CG-CD1 4.3Å; Q167-I398 HydrophobicContact CG-CG2 4.06Å
168W97.7Very high97.7Very high14 Ų1446.9 Ų46.95%0.05328%0.279CS..G310 helixtrans-52-32.6-175.857.6-92.4000113.2E166 L170 N171 G173 A174 I368 Y387 S388 P395 A396 I397E166-W168 PolarHBondContact O-N 3.49Å; W168-L170 PolarHBondContact O-N 3.2Å; W168-N171 PolarHBondContact O-N 3.5Å; W168-G173 WeakPolarHBondContact O-CA 3.39Å; W168-G173 PolarHBondContact O-N 3.07Å; W168-A174 HydrophobicContact CE3-CB 4.18Å; W168-A174 HydrophobicContact CZ3-CB 4.12Å; W168-I368 HydrophobicContact CB-CD1 4.41Å; W168-I368 HydrophobicContact CD2-CB 4.32Å; W168-I368 HydrophobicContact CD2-CD1 3.96Å; W168-I368 HydrophobicContact CD2-CG1 4.04Å; W168-I368 HydrophobicContact CE3-CB 4.1Å; W168-I368 HydrophobicContact CE3-CD1 4.21Å; W168-I368 HydrophobicContact CE3-CG1 3.8Å; W168-I368 HydrophobicContact CG-CD1 4.05Å; W168-I368 HydrophobicContact CH2-CB 3.92Å; W168-I368 HydrophobicContact CZ2-CB 4.15Å; W168-I368 HydrophobicContact CZ3-CB 3.91Å; W168-I368 HydrophobicContact CZ3-CG1 4.09Å; W168-Y387 AromaticContact CH2-CD1 3.68Å; W168-Y387 HydrophobicContact CH2-CD1 3.68Å; W168-Y387 AromaticContact CH2-CG 3.75Å; W168-Y387 HydrophobicContact CH2-CG 3.75Å; W168-Y387 AromaticContact CZ3-CD1 3.52Å; W168-Y387 HydrophobicContact CZ3-CD1 3.52Å; W168-Y387 HydrophobicContact CZ3-CD2 4.07Å; W168-Y387 AromaticContact CZ3-CE1 4Å; W168-Y387 HydrophobicContact CZ3-CE1 4Å; W168-Y387 HydrophobicContact CZ3-CE2 4.5Å; W168-Y387 AromaticContact CZ3-CG 3.56Å; W168-Y387 HydrophobicContact CZ3-CG 3.56Å; W168-S388 WeakPolarHBondContact CH2-O 3.43Å; W168-P395 HydrophobicContact CG-CG 4.42Å; W168-A396 PolarHBondContact NE1-O 3.41Å; W168-A396 VanDerWaalsContact NE1-O 3.08Å; W168-I397 HydrophobicContact CZ2-CD1 3.94Å
169Y98.3Very high97.8Very high1 Ų143.5 Ų43.50%0.00426%0.256CS..G310 helixtrans-72.2-7.217855.8-90.5000114.2Q167 D179 M180 I397 I398 L419Q167-Y169 HydrophobicContact CB-CE1 4Å; Q167-Y169 HydrophobicContact CB-CE2 4.34Å; Q167-Y169 HydrophobicContact CG-CE1 4.24Å; Q167-Y169 WeakPolarHBondContact CG-OH 3.37Å; Q167-Y169 PolarHBondContact NE2-OH 3.5Å; Q167-Y169 PolarHBondContact O-N 3.4Å; Q167-Y169 VanDerWaalsContact O-N 3.07Å; Y169-D179 WeakPolarHBondContact O-CB 3.44Å; Y169-M180 HydrophobicContact CD2-CE 3.86Å; Y169-M180 PolarHBondContact O-N 2.91Å; Y169-I397 HydrophobicContact CD1-CD1 3.39Å; Y169-I397 HydrophobicContact CE1-CB 4.31Å; Y169-I397 HydrophobicContact CE1-CD1 3.63Å; Y169-I397 HydrophobicContact CE1-CG2 3.83Å; Y169-I397 HydrophobicContact CE2-CG2 4.36Å; Y169-I397 HydrophobicContact CG-CD1 3.92Å; Y169-I398 PolarHBondContact OH-O 3.1Å; Y169-L419 HydrophobicContact CD2-CD1 4.32Å; Y169-L419 HydrophobicContact CD2-CD2 4.09Å; Y169-L419 HydrophobicContact CE2-CD2 3.75Å
170L98.4Very high97.8Very high0 Ų042.6 Ų42.60%025%0.252CS..G310 helixtrans-118-1.3172.5-50.3-179.3000113Q167 W168 D179 M180 V182 Q183 W186 V261Q167-L170 HydrophobicContact CB-CB 4.41Å; Q167-L170 HydrophobicContact CB-CD1 4.15Å; Q167-L170 HydrophobicContact CB-CG 4.26Å; Q167-L170 PolarHBondContact O-N 2.99Å; W168-L170 PolarHBondContact O-N 3.2Å; L170-D179 VanDerWaalsContact C-OD2 3.28Å; L170-M180 HydrophobicContact CD2-CE 3.97Å; L170-V182 HydrophobicContact CD2-CB 3.88Å; L170-V182 HydrophobicContact CD2-CG1 4.24Å; L170-V182 HydrophobicContact CD2-CG2 3.67Å; L170-Q183 WeakPolarHBondContact O-CG 3.29Å; L170-Q183 PolarHBondContact O-NE2 2.89Å; L170-W186 HydrophobicContact CD1-CH2 4.07Å; L170-V261 HydrophobicContact CD2-CG2 4.08Å
171N97.7Very high97.9Very high39 Ų3941.3 Ų41.321%0.20924%0.241CC..THydrogen-bonded Turntrans-136.440.5-166.1-70.2-78.9000112.7Y164 Q167 W168 G173 D179 Q183Y164-N171 PolarHBondContact O-ND2 3.23Å; Y164-N171 PolarHBondContact OH-OD1 3.33Å; Q167-N171 PolarHBondContact O-N 2.97Å; Q167-N171 PolarHBondContact O-ND2 3.17Å; W168-N171 PolarHBondContact O-N 3.5Å; N171-G173 PolarHBondContact O-N 2.61Å; N171-D179 PolarHBondContact N-OD2 3.46Å; N171-Q183 PolarHBondContact OD1-NE2 2.87Å
172N97Very high97.9Very high84 Ų8441 Ų4145%0.44924%0.239SC..THydrogen-bonded Turntrans49.531.5-179.6-59.1-68.5000113.9G177 F178 D179N172-G177 WeakPolarHBondContact CB-O 3.28Å; N172-G177 WeakPolarHBondContact O-CA 3.34Å; N172-G177 PolarHBondContact OD1-O 3.49Å; N172-F178 CarbonylContact C-O 3.56Å; N172-D179 PolarHBondContact N-OD2 2.97Å; N172-D179 PolarHBondContact OD1-OD2 3.2Å
173G97.2Very high97.9Very high34 Ų3439.1 Ų39.135%0.35122%0.224SC..  trans-93.2-8.1-170.200000114.3W168 N171 F178W168-G173 WeakPolarHBondContact O-CA 3.39Å; W168-G173 PolarHBondContact O-N 3.07Å; N171-G173 PolarHBondContact O-N 2.61Å; G173-F178 PolarHBondContact N-O 2.92Å
174A97.5Very high97.9Very high4 Ų440.3 Ų40.33%0.03324%0.235CC..BIsolated β-bridgetrans-74.8159.6173.200000111.4W168 G176 G177 F178 I368 Y387W168-A174 HydrophobicContact CE3-CB 4.18Å; W168-A174 HydrophobicContact CZ3-CB 4.12Å; A174-G176 PolarHBondContact O-N 3.33Å; A174-G177 PolarHBondContact O-N 3.4Å; A174-F178 HydrophobicContact CB-CB 4.34Å; A174-F178 WeakPolarHBondContact CB-O 3.5Å; A174-F178 PolarHBondContact N-O 2.96Å; A174-F178 PolarHBondContact O-N 2.77Å; A174-I368 CarbonylContact C-O 3.18Å; A174-I368 WeakPolarHBondContact CA-O 3.15Å; A174-I368 WeakPolarHBondContact CB-O 3.28Å; A174-Y387 HydrophobicContact CB-CE1 4.02Å; A174-Y387 HydrophobicContact CB-CE2 4.38Å; A174-Y387 WeakPolarHBondContact CB-OH 3.15Å
175Q96.9Very high97.9Very high122 Ų12240.2 Ų40.257%0.5724%0.235SC*.THydrogen-bonded Turntrans-52.8127.2-177.6-179.6175.327.800111.2F178 I368 D369 N370Q175-F178 VanDerWaalsContact O-CD2 3.23Å; Q175-F178 WeakPolarHBondContact O-CD2 3.3Å; Q175-I368 PolarHBondContact N-O 2.96Å; Q175-D369 PolarHBondContact OE1-O 2.87Å; Q175-N370 PolarHBondContact O-ND2 2.96Å
176G97Very high97.9Very high69 Ų6932.8 Ų32.871%0.71120%0.203SC*.THydrogen-bonded Turntrans87.75.7-176.100000114.5A174A174-G176 PolarHBondContact O-N 3.33Å
177G97.6Very high97.9Very high39 Ų3933.9 Ų33.940%0.40221%0.211SC..THydrogen-bonded Turntrans80.223.9179.900000113.2N172 A174N172-G177 WeakPolarHBondContact CB-O 3.28Å; N172-G177 WeakPolarHBondContact O-CA 3.34Å; N172-G177 PolarHBondContact OD1-O 3.49Å; A174-G177 PolarHBondContact O-N 3.4Å
178F98.2Very high97.8Very high64 Ų6436.8 Ų36.828%0.28123%0.226SC..BIsolated β-bridgetrans-87153.6179.3-65.7-65.4000111.5N172 G173 A174 Q175 V450 P451N172-F178 CarbonylContact C-O 3.56Å; G173-F178 PolarHBondContact N-O 2.92Å; A174-F178 HydrophobicContact CB-CB 4.34Å; A174-F178 WeakPolarHBondContact CB-O 3.5Å; A174-F178 PolarHBondContact N-O 2.96Å; A174-F178 PolarHBondContact O-N 2.77Å; Q175-F178 VanDerWaalsContact O-CD2 3.23Å; Q175-F178 WeakPolarHBondContact O-CD2 3.3Å; F178-V450 HydrophobicContact CE1-CG1 4.43Å; F178-V450 HydrophobicContact CZ-CG1 4.07Å; F178-P451 HydrophobicContact CB-CB 4.24Å; F178-P451 HydrophobicContact CB-CG 4.18Å; F178-P451 HydrophobicContact CD1-CB 4.32Å; F178-P451 HydrophobicContact CD1-CG 3.73Å; F178-P451 HydrophobicContact CD2-CB 3.68Å; F178-P451 HydrophobicContact CD2-CG 4.03Å; F178-P451 HydrophobicContact CE1-CG 4.07Å; F178-P451 HydrophobicContact CE2-CB 4.08Å; F178-P451 HydrophobicContact CE2-CG 4.37Å; F178-P451 HydrophobicContact CG-CB 3.83Å; F178-P451 HydrophobicContact CG-CG 3.72Å; F178-P451 HydrophobicContact CZ-CG 4.39Å
179D98.2Very high97.8Very high9 Ų936.2 Ų36.25%0.04822%0.224CC..  trans-153.9-167.7166.26816.6000109.4Y169 L170 N171 N172 N181 L475Y169-D179 WeakPolarHBondContact O-CB 3.44Å; L170-D179 VanDerWaalsContact C-OD2 3.28Å; N171-D179 PolarHBondContact N-OD2 3.46Å; N172-D179 PolarHBondContact N-OD2 2.97Å; N172-D179 PolarHBondContact OD1-OD2 3.2Å; D179-N181 VanDerWaalsContact C-N 3.31Å; D179-N181 WeakPolarHBondContact OD1-CA 3.42Å; D179-N181 PolarHBondContact OD1-N 3.02Å; D179-N181 PolarHBondContact OD1-OD1 2.81Å; D179-L475 VanDerWaalsContact O-CD2 3.29Å; D179-L475 WeakPolarHBondContact O-CD2 3.49Å
180M98.7Very high97.8Very high0 Ų036.7 Ų36.70%023%0.226CC..  trans-88.413177.8-65.5178.7-58.600114.2Y169 L170 V182 T386 Y387 L419 I423 L475 M476 A478Y169-M180 HydrophobicContact CD2-CE 3.86Å; Y169-M180 PolarHBondContact O-N 2.91Å; L170-M180 HydrophobicContact CD2-CE 3.97Å; M180-V182 HydrophobicContact CB-CG2 4.05Å; M180-V182 PolarHBondContact O-N 2.69Å; M180-V182 VanDerWaalsContact O-N 3.11Å; M180-T386 HydrophobicContact SD-CG2 3.86Å; M180-Y387 HydrophobicContact CG-CD2 3.72Å; M180-Y387 HydrophobicContact CG-CE2 4.07Å; M180-Y387 HydrophobicContact SD-CD2 4.2Å; M180-L419 HydrophobicContact CE-CB 4.28Å; M180-L419 HydrophobicContact CE-CD1 4.03Å; M180-L419 HydrophobicContact CE-CD2 4.11Å; M180-L419 HydrophobicContact CE-CG 4.36Å; M180-I423 HydrophobicContact CB-CD1 4.11Å; M180-I423 HydrophobicContact CG-CD1 4.49Å; M180-I423 HydrophobicContact SD-CD1 3.95Å; M180-L475 HydrophobicContact CG-CD1 4.03Å; M180-L475 HydrophobicContact CG-CD2 4.39Å; M180-L475 HydrophobicContact CG-CG 4.18Å; M180-M476 WeakPolarHBondContact CA-O 3.39Å; M180-M476 WeakPolarHBondContact CB-O 3.49Å; M180-A478 WeakPolarHBondContact O-CB 3.41Å; M180-A478 PolarHBondContact O-N 2.7Å
181N98.5Very high97.8Very high54 Ų5436.8 Ų36.829%0.28923%0.226SC..  trans52.831.3-179.3-76.1-35.1000114.3D179 Q183 A184 D477 G479D179-N181 VanDerWaalsContact C-N 3.31Å; D179-N181 WeakPolarHBondContact OD1-CA 3.42Å; D179-N181 PolarHBondContact OD1-N 3.02Å; D179-N181 PolarHBondContact OD1-OD1 2.81Å; N181-Q183 VanDerWaalsContact C-N 3.34Å; N181-Q183 PolarHBondContact O-N 3.28Å; N181-A184 HydrophobicContact CB-CB 4.43Å; N181-A184 WeakPolarHBondContact O-CB 3.48Å; N181-A184 PolarHBondContact O-N 2.78Å; N181-A184 VanDerWaalsContact O-N 3.15Å; N181-D477 VanDerWaalsContact CB-OD1 3.27Å; N181-D477 WeakPolarHBondContact CB-OD1 3.47Å; N181-D477 VanDerWaalsContact ND2-CG 3.33Å; N181-D477 PolarHBondContact ND2-OD2 3.25Å; N181-G479 PolarHBondContact O-N 3.25Å
182V98.8Very high97.8Very high0 Ų034.9 Ų34.90%022%0.217CC..Hα-helixtrans-64.4-38.9-1801740000111.5L170 M180 A184 A185 W186 V261 I423 L426 A478L170-V182 HydrophobicContact CD2-CB 3.88Å; L170-V182 HydrophobicContact CD2-CG1 4.24Å; L170-V182 HydrophobicContact CD2-CG2 3.67Å; M180-V182 HydrophobicContact CB-CG2 4.05Å; M180-V182 PolarHBondContact O-N 2.69Å; M180-V182 VanDerWaalsContact O-N 3.11Å; V182-A184 PolarHBondContact O-N 3.41Å; V182-A185 WeakPolarHBondContact O-CB 3.5Å; V182-A185 PolarHBondContact O-N 2.97Å; V182-W186 HydrophobicContact CG1-CD2 3.91Å; V182-W186 HydrophobicContact CG1-CE3 4.44Å; V182-W186 HydrophobicContact CG1-CG 4.47Å; V182-W186 HydrophobicContact CG1-CH2 4.03Å; V182-W186 HydrophobicContact CG1-CZ2 3.42Å; V182-W186 VanDerWaalsContact CG1-CZ2 3.42Å; V182-W186 HydrophobicContact CG1-CZ3 4.48Å; V182-W186 PolarHBondContact O-N 2.83Å; V182-V261 HydrophobicContact CG1-CG1 3.99Å; V182-V261 HydrophobicContact CG2-CG1 4.1Å; V182-I423 HydrophobicContact CG2-CD1 4.47Å; V182-I423 HydrophobicContact CG2-CG1 4.23Å; V182-L426 HydrophobicContact CG1-CD1 4.22Å; V182-A478 HydrophobicContact CB-CB 4.39Å; V182-A478 HydrophobicContact CG2-CB 3.87Å
183Q98.4Very high97.9Very high35 Ų3533.6 Ų33.616%0.16421%0.205CC..Hα-helixtrans-58.8-33.1174.9-62.4-173.121.700112.5L157 Y164 L170 N171 N181 A185 W186 L187L157-Q183 HydrophobicContact CD1-CB 4.08Å; L157-Q183 HydrophobicContact CD1-CG 4.04Å; Y164-Q183 PolarHBondContact OH-NE2 2.8Å; L170-Q183 WeakPolarHBondContact O-CG 3.29Å; L170-Q183 PolarHBondContact O-NE2 2.89Å; N171-Q183 PolarHBondContact OD1-NE2 2.87Å; N181-Q183 VanDerWaalsContact C-N 3.34Å; N181-Q183 PolarHBondContact O-N 3.28Å; Q183-A185 VanDerWaalsContact C-N 3.31Å; Q183-A185 PolarHBondContact O-N 2.99Å; Q183-W186 HydrophobicContact CG-CE3 4.1Å; Q183-W186 HydrophobicContact CG-CZ3 4.24Å; Q183-W186 PolarHBondContact O-N 2.68Å; Q183-L187 WeakPolarHBondContact O-CB 3.42Å; Q183-L187 VanDerWaalsContact O-CG 3.23Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 3.08Å
184A98.1Very high97.9Very high35 Ų3538 Ų3829%0.28922%0.221SC..Hα-helixtrans-66.3-34177.800000112N181 V182 L188N181-A184 HydrophobicContact CB-CB 4.43Å; N181-A184 WeakPolarHBondContact O-CB 3.48Å; N181-A184 PolarHBondContact O-N 2.78Å; N181-A184 VanDerWaalsContact O-N 3.15Å; V182-A184 PolarHBondContact O-N 3.41Å; A184-L188 WeakPolarHBondContact O-CG 3.48Å; A184-L188 PolarHBondContact O-N 3.19Å
185A98.4Very high98Very high0 Ų038.2 Ų38.20%022%0.221CC..Hα-helixtrans-70.9-41.917200000111.9V182 Q183 L187 L188 G189 Y190 L426 A478 V482V182-A185 WeakPolarHBondContact O-CB 3.5Å; V182-A185 PolarHBondContact O-N 2.97Å; Q183-A185 VanDerWaalsContact C-N 3.31Å; Q183-A185 PolarHBondContact O-N 2.99Å; A185-L187 PolarHBondContact O-N 3.29Å; A185-L188 WeakPolarHBondContact O-CB 3.5Å; A185-L188 PolarHBondContact O-N 3.26Å; A185-L188 VanDerWaalsContact O-N 3.11Å; A185-G189 PolarHBondContact O-N 2.81Å; A185-Y190 PolarHBondContact O-N 2.82Å; A185-L426 HydrophobicContact CB-CD1 3.82Å; A185-A478 HydrophobicContact CB-CB 4.25Å; A185-V482 HydrophobicContact CB-CB 4.4Å; A185-V482 HydrophobicContact CB-CG2 3.83Å
186W98.4Very high98.1Very high0 Ų032.5 Ų32.50%020%0.195CC..Hα-helixtrans-61.9-41.8176.2-65.1-13.9000112.7P155 L157 F159 Y164 L170 V182 Q183 L188 G189 Y190 V259 V261 F263P155-W186 WeakPolarHBondContact CD-O 3.32Å; P155-W186 HydrophobicContact CG-CB 3.91Å; L157-W186 HydrophobicContact CD2-CE3 4.17Å; L157-W186 HydrophobicContact CD2-CZ3 4.45Å; F159-W186 HydrophobicContact CD2-CZ3 4.17Å; F159-W186 HydrophobicContact CE2-CD2 4.45Å; F159-W186 AromaticContact CE2-CE3 3.79Å; F159-W186 HydrophobicContact CE2-CE3 3.79Å; F159-W186 HydrophobicContact CE2-CH2 4.05Å; F159-W186 AromaticContact CE2-CZ3 3.58Å; F159-W186 HydrophobicContact CE2-CZ3 3.58Å; Y164-W186 HydrophobicContact CE2-CH2 4.06Å; Y164-W186 AromaticContact CE2-CZ3 3.79Å; Y164-W186 HydrophobicContact CE2-CZ3 3.79Å; L170-W186 HydrophobicContact CD1-CH2 4.07Å; V182-W186 HydrophobicContact CG1-CD2 3.91Å; V182-W186 HydrophobicContact CG1-CE3 4.44Å; V182-W186 HydrophobicContact CG1-CG 4.47Å; V182-W186 HydrophobicContact CG1-CH2 4.03Å; V182-W186 HydrophobicContact CG1-CZ2 3.42Å; V182-W186 VanDerWaalsContact CG1-CZ2 3.42Å; V182-W186 HydrophobicContact CG1-CZ3 4.48Å; V182-W186 PolarHBondContact O-N 2.83Å; Q183-W186 HydrophobicContact CG-CE3 4.1Å; Q183-W186 HydrophobicContact CG-CZ3 4.24Å; Q183-W186 PolarHBondContact O-N 2.68Å; W186-L188 PolarHBondContact O-N 3.04Å; W186-G189 WeakPolarHBondContact O-CA 3.27Å; W186-G189 PolarHBondContact O-N 2.94Å; W186-Y190 WeakPolarHBondContact CA-O 3.38Å; W186-V259 HydrophobicContact CH2-CB 4.45Å; W186-V259 HydrophobicContact CH2-CG1 3.9Å; W186-V259 HydrophobicContact CZ2-CG1 4.1Å; W186-V261 PolarHBondContact NE1-O 2.87Å; W186-F263 AromaticContact CD1-CE1 3.84Å; W186-F263 AromaticContact CD2-CE1 3.91Å; W186-F263 HydrophobicContact CD2-CE1 3.91Å; W186-F263 AromaticContact CE2-CD1 3.85Å; W186-F263 AromaticContact CE2-CE1 3.58Å; W186-F263 HydrophobicContact CG-CE1 4.02Å; W186-F263 AromaticContact CZ2-CD1 3.93Å; W186-F263 HydrophobicContact CZ2-CD1 3.93Å; W186-F263 HydrophobicContact CZ2-CE1 4.07Å; W186-F263 AromaticContact NE1-CD1 3.87Å; W186-F263 AromaticContact NE1-CE1 3.54Å
187L97.5Very high98.2Very high106 Ų10629.2 Ų29.256%0.55516%0.161SC*.THydrogen-bonded Turntrans-67.1-17.1176.5-70.9171.5000113.1L157 Q183 A185 G189L157-L187 HydrophobicContact CD1-CD2 4.34Å; L157-L187 HydrophobicContact CD1-CG 4.41Å; Q183-L187 WeakPolarHBondContact O-CB 3.42Å; Q183-L187 VanDerWaalsContact O-CG 3.23Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 3.08Å; A185-L187 PolarHBondContact O-N 3.29Å; L187-G189 VanDerWaalsContact C-N 3.29Å
188L96.5Very high98.2Very high64 Ų6427.3 Ų27.334%0.33514%0.142SC..THydrogen-bonded Turntrans-85.1-0.8168.1-66.4170000112.9A184 A185 W186 Y190 V482 K483A184-L188 WeakPolarHBondContact O-CG 3.48Å; A184-L188 PolarHBondContact O-N 3.19Å; A185-L188 WeakPolarHBondContact O-CB 3.5Å; A185-L188 PolarHBondContact O-N 3.26Å; A185-L188 VanDerWaalsContact O-N 3.11Å; W186-L188 PolarHBondContact O-N 3.04Å; L188-Y190 HydrophobicContact CB-CD2 3.72Å; L188-Y190 HydrophobicContact CB-CE2 3.82Å; L188-V482 HydrophobicContact CD1-CG1 4Å; L188-K483 HydrophobicContact CD1-CG 3.92Å
189G96.9Very high98.3Very high1 Ų124.4 Ų24.41%0.0113%0.129CC..THydrogen-bonded Turntrans94.30.6177.600000115.2H152 A185 W186 L187 R193H152-G189 VanDerWaalsContact CB-O 3.31Å; H152-G189 WeakPolarHBondContact CB-O 3.49Å; A185-G189 PolarHBondContact O-N 2.81Å; W186-G189 WeakPolarHBondContact O-CA 3.27Å; W186-G189 PolarHBondContact O-N 2.94Å; L187-G189 VanDerWaalsContact C-N 3.29Å; G189-R193 PolarHBondContact O-NH1 2.92Å
190Y98.3Very high98.3Very high11 Ų1124 Ų244%0.04313%0.127CC..  trans-90.1130.8-177.5-58.8-73.2000111.5A185 W186 L188 E429 A430 V482 L486A185-Y190 PolarHBondContact O-N 2.82Å; W186-Y190 WeakPolarHBondContact CA-O 3.38Å; L188-Y190 HydrophobicContact CB-CD2 3.72Å; L188-Y190 HydrophobicContact CB-CE2 3.82Å; Y190-E429 VanDerWaalsContact CA-OE2 3.31Å; Y190-E429 WeakPolarHBondContact CA-OE2 3.43Å; Y190-E429 HydrophobicContact CD1-CB 4.2Å; Y190-E429 HydrophobicContact CD1-CG 3.91Å; Y190-A430 HydrophobicContact CD1-CB 3.78Å; Y190-A430 HydrophobicContact CD2-CB 4.43Å; Y190-A430 HydrophobicContact CE1-CB 3.53Å; Y190-A430 HydrophobicContact CE2-CB 4.17Å; Y190-A430 HydrophobicContact CG-CB 4.24Å; Y190-V482 HydrophobicContact CD2-CG1 3.34Å; Y190-V482 HydrophobicContact CE2-CG1 3.56Å; Y190-V482 HydrophobicContact CG-CG1 4.11Å; Y190-L486 HydrophobicContact CE2-CD1 4.28Å; Y190-L486 WeakPolarHBondContact OH-CD2 3.44Å
191A98.1Very high98.2Very high2 Ų224 Ų242%0.01713%0.127CC..SBendtrans-14111.9-178.500000113.5A262 F263 H264 L426 E429A191-A262 CarbonylContact O-C 3.57Å; A191-A262 VanDerWaalsContact O-CA 3.27Å; A191-A262 WeakPolarHBondContact O-CA 3.41Å; A191-F263 HydrophobicContact CB-CD1 4.32Å; A191-F263 HydrophobicContact CB-CD2 4.05Å; A191-F263 HydrophobicContact CB-CE1 3.83Å; A191-F263 HydrophobicContact CB-CE2 3.52Å; A191-F263 HydrophobicContact CB-CG 4.42Å; A191-F263 HydrophobicContact CB-CZ 3.39Å; A191-F263 PolarHBondContact O-N 2.78Å; A191-H264 HydrophobicContact CB-CB 4.1Å; A191-H264 PolarHBondContact O-N 3.18Å; A191-L426 VanDerWaalsContact CA-CD2 3.5Å; A191-E429 PolarHBondContact N-OE2 2.98Å
192G98.6Very high98.1Very high0 Ų021.4 Ų21.40%011%0.113CC..  trans90.912.9179.200000115.5N194 I195 A265 E429G192-N194 PolarHBondContact O-N 3.36Å; G192-I195 WeakPolarHBondContact O-CB 3.3Å; G192-I195 PolarHBondContact O-N 3.04Å; G192-I195 VanDerWaalsContact O-N 3.14Å; G192-A265 WeakPolarHBondContact O-CA 3.34Å; G192-E429 WeakPolarHBondContact CA-OE2 3.39Å; G192-E429 PolarHBondContact N-OE2 3.27Å
193R98.2Very high98Very high56 Ų5621.4 Ų21.421%0.21111%0.113CC..THydrogen-bonded Turntrans-56.3137.7-172.2-62.1176.5-168.382.4-4.9112G189 I195 H264 E429G189-R193 PolarHBondContact O-NH1 2.92Å; R193-I195 PolarHBondContact O-N 2.74Å; R193-I195 VanDerWaalsContact O-N 3.11Å; R193-H264 HydrophobicContact CG-CB 3.6Å; R193-H264 PolarHBondContact NE-ND1 3.45Å; R193-E429 HydrophobicContact CB-CG 4.38Å; R193-E429 VanDerWaalsContact CB-OE1 3.23Å; R193-E429 WeakPolarHBondContact CB-OE1 3.35Å; R193-E429 WeakPolarHBondContact CD-OE1 3.08Å; R193-E429 VanDerWaalsContact CG-OE1 3.28Å; R193-E429 WeakPolarHBondContact CG-OE1 3.08Å; R193-E429 IonicContact CZ-OE1 3.11Å; R193-E429 VanDerWaalsContact N-CD 3.27Å; R193-E429 PolarHBondContact N-OE1 3.15Å; R193-E429 PolarHBondContact N-OE2 2.78Å; R193-E429 IonicContact NH1-OE1 2.99Å; R193-E429 PolarHBondContact NH1-OE1 3.29Å; R193-E429 IonicContact NH1-OE2 3.39Å
194N97.7Very high98Very high128 Ų12819.8 Ų19.868%0.68411%0.106SC*.THydrogen-bonded Turntrans61.28.6179.1-60.9-48.4000115.6G192G192-N194 PolarHBondContact O-N 3.36Å
195I98.8Very high97.9Very high7 Ų719 Ų194%0.03610%0.096CC..  trans-92.6128.1171.7-54.8-50.4000108.9G192 R193 V197 K266 D294 I295 A425 L428 E429G192-I195 WeakPolarHBondContact O-CB 3.3Å; G192-I195 PolarHBondContact O-N 3.04Å; G192-I195 VanDerWaalsContact O-N 3.14Å; R193-I195 PolarHBondContact O-N 2.74Å; R193-I195 VanDerWaalsContact O-N 3.11Å; I195-V197 HydrophobicContact CG2-CG2 4.49Å; I195-K266 PolarHBondContact O-N 3.22Å; I195-D294 WeakPolarHBondContact CA-OD2 3.4Å; I195-D294 HydrophobicContact CG2-CB 3.88Å; I195-I295 HydrophobicContact CG2-CD1 4.08Å; I195-I295 HydrophobicContact CG2-CG1 4.5Å; I195-A425 HydrophobicContact CB-CB 4.22Å; I195-A425 HydrophobicContact CG2-CB 3.85Å; I195-L428 HydrophobicContact CD1-CB 3.64Å; I195-L428 HydrophobicContact CG1-CB 3.89Å; I195-L428 HydrophobicContact CG2-CB 4.25Å; I195-L428 HydrophobicContact CG2-CD1 4.03Å; I195-E429 HydrophobicContact CG1-CB 4.24Å
196S98.8Very high97.7Very high2 Ų224.1 Ų24.11%0.01412%0.115CC..EExtended strand (participates in β ladder)trans-98.6120.9179.3-174.80000111D216 A219 K266 H292 D294 I295S196-D216 PolarHBondContact OG-OD2 3.37Å; S196-A219 WeakPolarHBondContact OG-CB 3.33Å; S196-K266 WeakPolarHBondContact CA-O 3.5Å; S196-H292 WeakPolarHBondContact CB-O 3.3Å; S196-H292 PolarHBondContact OG-NE2 3.04Å; S196-D294 PolarHBondContact N-OD2 2.82Å; S196-D294 WeakPolarHBondContact O-CA 3.15Å; S196-D294 WeakPolarHBondContact O-CB 3.49Å; S196-D294 PolarHBondContact O-N 2.96Å; S196-I295 PolarHBondContact O-N 2.76Å; S196-I295 VanDerWaalsContact O-N 3.11Å
197V98.9Very high97.6Very high0 Ų029.2 Ų29.20%014%0.142CC..EExtended strand (participates in β ladder)trans-114.4132.3178.3-172.90000108.9I195 I199 V248 A265 K266 I267 G268 I295 A421 A425I195-V197 HydrophobicContact CG2-CG2 4.49Å; V197-I199 HydrophobicContact CG1-CD1 4.41Å; V197-V248 HydrophobicContact CB-CG1 4.18Å; V197-V248 HydrophobicContact CG1-CG1 4.16Å; V197-V248 HydrophobicContact CG1-CG2 4.49Å; V197-V248 HydrophobicContact CG2-CG1 4.03Å; V197-A265 HydrophobicContact CG2-CB 4.49Å; V197-K266 PolarHBondContact N-O 2.86Å; V197-I267 HydrophobicContact CB-CD1 3.95Å; V197-I267 HydrophobicContact CG1-CD1 4.12Å; V197-I267 WeakPolarHBondContact O-CA 3.49Å; V197-G268 PolarHBondContact O-N 2.9Å; V197-I295 CarbonylContact C-O 3.59Å; V197-I295 WeakPolarHBondContact CA-O 3.31Å; V197-I295 HydrophobicContact CG1-CB 4.24Å; V197-I295 HydrophobicContact CG1-CG2 4.39Å; V197-I295 HydrophobicContact CG2-CB 4.21Å; V197-I295 HydrophobicContact CG2-CD1 4.07Å; V197-A421 HydrophobicContact CG1-CB 4.31Å; V197-A425 HydrophobicContact CG2-CB 4.26Å
198S98.9Very high97.6Very high0 Ų024.2 Ų24.20%012%0.116CC..EExtended strand (participates in β ladder)trans-118.4124.8175.5-170.40000110.6A219 G268 I295 Y296 S297S198-A219 WeakPolarHBondContact CB-O 3.37Å; S198-A219 PolarHBondContact OG-O 2.72Å; S198-G268 WeakPolarHBondContact CA-O 3.3Å; S198-I295 PolarHBondContact N-O 3.15Å; S198-Y296 WeakPolarHBondContact O-CA 3.41Å; S198-S297 PolarHBondContact O-N 3.07Å
199I98.8Very high97.6Very high2 Ų224.3 Ų24.31%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-87.3114.8175.8-55.5-54.9000108.6V197 D201 I204 C244 A245 V248 I267 G268 G269 V270V197-I199 HydrophobicContact CG1-CD1 4.41Å; I199-D201 HydrophobicContact CG2-CB 3.83Å; I199-D201 PolarHBondContact O-N 2.88Å; I199-I204 HydrophobicContact CB-CG2 4.31Å; I199-C244 HydrophobicContact CD1-CB 4.42Å; I199-C244 HydrophobicContact CG2-CB 3.96Å; I199-A245 HydrophobicContact CG1-CB 4.04Å; I199-V248 HydrophobicContact CD1-CG2 4.21Å; I199-I267 HydrophobicContact CD1-CD1 4.16Å; I199-I267 HydrophobicContact CG1-CD1 3.92Å; I199-G268 PolarHBondContact N-O 3.28Å; I199-G269 CarbonylContact O-C 3.59Å; I199-G269 WeakPolarHBondContact O-CA 3.3Å; I199-V270 PolarHBondContact O-N 2.93Å
200L98.6Very high97.7Very high0 Ų024.3 Ų24.30%012%0.12CC..EExtended strand (participates in β ladder)trans-91.395178.5-54.8-169.5000109.2V270 M272 L286 Y296 S297 A298 W300L200-V270 HydrophobicContact CD2-CB 3.69Å; L200-V270 HydrophobicContact CD2-CG2 3.39Å; L200-M272 HydrophobicContact CB-SD 4.48Å; L200-L286 HydrophobicContact CD1-CD2 3.76Å; L200-L286 HydrophobicContact CD1-CG 4.3Å; L200-Y296 HydrophobicContact CD1-CD1 4.12Å; L200-Y296 HydrophobicContact CD2-CD1 4.09Å; L200-Y296 HydrophobicContact CG-CD1 4.36Å; L200-S297 PolarHBondContact N-O 2.93Å; L200-A298 HydrophobicContact CB-CB 4.4Å; L200-W300 PolarHBondContact O-NE1 2.91Å
201D97.7Very high97.7Very high1 Ų123.9 Ų23.91%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-156.8-145.3-167.6-146.3-69000112.9I199 G203 H240 V270 M272 L273I199-D201 HydrophobicContact CG2-CB 3.83Å; I199-D201 PolarHBondContact O-N 2.88Å; D201-G203 PolarHBondContact O-N 3.29Å; D201-H240 IonicContact OD1-CG 3.44Å; D201-H240 IonicContact OD1-ND1 3.46Å; D201-H240 PolarHBondContact OD1-ND1 3.41Å; D201-H240 IonicContact OD2-CE1 3.13Å; D201-H240 PolarHBondContact OD2-CE1 2.75Å; D201-H240 VanDerWaalsContact OD2-CE1 3.24Å; D201-H240 IonicContact OD2-ND1 3.39Å; D201-H240 PolarHBondContact OD2-ND1 3.25Å; D201-V270 CarbonylContact C-O 3.6Å; D201-V270 PolarHBondContact N-O 2.8Å; D201-M272 WeakPolarHBondContact O-CG 3.38Å; D201-M272 PolarHBondContact O-N 3.13Å; D201-L273 HydrophobicContact CB-CD1 4.45Å; D201-L273 PolarHBondContact O-N 3.48Å
202D96.4Very high97.7Very high0 Ų026 Ų260%014%0.137CC..BIsolated β-bridgetrans-80.43173.460.310.4000114.5K115 N238 K239 H240 G241 R271 L273 D274K115-D202 WeakPolarHBondContact CE-OD2 3.46Å; K115-D202 IonicContact NZ-OD2 3.85Å; K115-D202 PolarHBondContact NZ-OD2 3.36Å; D202-N238 HydrophobicContact CB-CB 4.21Å; D202-N238 WeakPolarHBondContact CB-OD1 3.27Å; D202-N238 VanDerWaalsContact OD2-C 3.26Å; D202-N238 WeakPolarHBondContact OD2-CA 3.16Å; D202-K239 PolarHBondContact OD2-N 3.4Å; D202-H240 VanDerWaalsContact OD2-CB 3.24Å; D202-H240 WeakPolarHBondContact OD2-CB 3.36Å; D202-H240 PolarHBondContact OD2-N 2.97Å; D202-G241 WeakPolarHBondContact OD1-CA 3.36Å; D202-G241 PolarHBondContact OD1-N 3.37Å; D202-R271 WeakPolarHBondContact O-CD 3.4Å; D202-R271 VanDerWaalsContact O-CG 3.31Å; D202-R271 WeakPolarHBondContact O-CG 3.47Å; D202-L273 HydrophobicContact CB-CB 4.42Å; D202-D274 HydrophobicContact CB-CB 4.41Å
203G96.7Very high97.7Very high0 Ų030 Ų300%017%0.169CC..  trans115.3180-178.800000113.1D201 P230 G241 T242D201-G203 PolarHBondContact O-N 3.29Å; G203-P230 CarbonylContact C-O 3.58Å; G203-P230 WeakPolarHBondContact CA-O 3.39Å; G203-G241 CarbonylContact O-C 3.54Å; G203-G241 WeakPolarHBondContact O-CA 3.43Å; G203-T242 PolarHBondContact O-N 3.16Å
204I97Very high97.7Very high1 Ų128.4 Ų28.41%0.00517%0.165CC..  trans-134.6139.6170.367.1167.6000109.7I199 R206 Y215 P230 T231 T242 A245 G268I199-I204 HydrophobicContact CB-CG2 4.31Å; I204-R206 PolarHBondContact O-N 2.7Å; I204-Y215 HydrophobicContact CD1-CD2 3.84Å; I204-Y215 HydrophobicContact CD1-CE2 4.05Å; I204-Y215 HydrophobicContact CG1-CE2 4.5Å; I204-P230 HydrophobicContact CG1-CB 4.45Å; I204-P230 HydrophobicContact CG1-CG 3.98Å; I204-P230 PolarHBondContact N-O 3.2Å; I204-P230 CarbonylContact O-C 3.03Å; I204-T231 WeakPolarHBondContact O-CA 3.17Å; I204-T242 WeakPolarHBondContact CA-OG1 3.47Å; I204-A245 HydrophobicContact CG2-CB 3.8Å; I204-G268 VanDerWaalsContact CD1-C 3.42Å
205Q96.4Very high97.7Very high18 Ų1824.6 Ų24.68%0.08414%0.141CC..  trans-73.296.8170.2-175.4179.7-4.500109.8D207 H208 T242 V402 P403Q205-D207 WeakPolarHBondContact CG-OD1 3.4Å; Q205-D207 PolarHBondContact NE2-OD1 2.82Å; Q205-D207 PolarHBondContact O-N 3.38Å; Q205-H208 HydrophobicContact CB-CB 4.25Å; Q205-H208 HydrophobicContact CG-CB 4.13Å; Q205-H208 WeakPolarHBondContact O-CB 3.3Å; Q205-H208 PolarHBondContact O-N 2.75Å; Q205-T242 HydrophobicContact CB-CG2 4.05Å; Q205-T242 PolarHBondContact N-OG1 3.02Å; Q205-V402 HydrophobicContact CB-CG1 3.85Å; Q205-P403 PolarHBondContact NE2-O 3.07Å; Q205-P403 PolarHBondContact OE1-O 3.3Å
206R95.2Very high97.7Very high108 Ų10824.7 Ų24.741%0.40814%0.142SC..THydrogen-bonded Turntrans-63-26.5-173.965.3-176174.4116.3-3.6114.6I204 A212 Y215 D229I204-R206 PolarHBondContact O-N 2.7Å; R206-A212 WeakPolarHBondContact O-CA 3.43Å; R206-Y215 HydrophobicContact CB-CD1 4.07Å; R206-Y215 HydrophobicContact CB-CD2 3.51Å; R206-Y215 HydrophobicContact CB-CE1 3.97Å; R206-Y215 HydrophobicContact CB-CE2 3.39Å; R206-Y215 HydrophobicContact CB-CG 3.84Å; R206-D229 WeakPolarHBondContact CD-OD1 3.26Å; R206-D229 IonicContact CZ-OD1 3.81Å; R206-D229 IonicContact CZ-OD2 3.22Å; R206-D229 VanDerWaalsContact NE-CG 3.28Å; R206-D229 IonicContact NE-OD1 3.04Å; R206-D229 PolarHBondContact NE-OD1 3.45Å; R206-D229 IonicContact NE-OD2 2.69Å; R206-D229 PolarHBondContact NE-OD2 3.2Å; R206-D229 VanDerWaalsContact NE-OD2 3.11Å; R206-D229 IonicContact NH2-OD2 3.42Å; R206-D229 PolarHBondContact NH2-OD2 3.42Å
207D95.8Very high97.7Very high107 Ų10728.5 Ų28.557%0.57217%0.167SC*.THydrogen-bonded Turntrans-99.18.8-178.670.6-18.7000113.3Q205Q205-D207 WeakPolarHBondContact CG-OD1 3.4Å; Q205-D207 PolarHBondContact NE2-OD1 2.82Å; Q205-D207 PolarHBondContact O-N 3.38Å
208H97.4Very high97.7Very high0 Ų033.1 Ų33.10%019%0.191CC..  trans-57.4129.5175.6-172.4-83.5000109.7Q205 D210 L211 A212 Y256 V400 D401 G405Q205-H208 HydrophobicContact CB-CB 4.25Å; Q205-H208 HydrophobicContact CG-CB 4.13Å; Q205-H208 WeakPolarHBondContact O-CB 3.3Å; Q205-H208 PolarHBondContact O-N 2.75Å; H208-D210 PolarHBondContact ND1-N 2.96Å; H208-D210 PolarHBondContact O-N 3.3Å; H208-L211 HydrophobicContact CB-CB 4.22Å; H208-L211 HydrophobicContact CB-CD1 4.26Å; H208-L211 HydrophobicContact CB-CG 4.38Å; H208-L211 PolarHBondContact O-N 3.09Å; H208-A212 WeakPolarHBondContact O-CB 3.04Å; H208-A212 PolarHBondContact O-N 3.48Å; H208-Y256 AromaticContact CE1-CE1 3.76Å; H208-V400 VanDerWaalsContact CE1-CB 3.5Å; H208-V400 WeakPolarHBondContact CE1-CB 3.45Å; H208-V400 VanDerWaalsContact CE1-CG1 3.43Å; H208-V400 WeakPolarHBondContact CE1-CG1 2.9Å; H208-D401 PolarHBondContact CD2-O 3.45Å; H208-D401 PolarHBondContact NE2-O 2.91Å; H208-G405 PolarHBondContact NE2-O 3.33Å; H208-G405 VanDerWaalsContact NE2-O 3.11Å
209P97.4Very high97.6Very high67 Ų6733.1 Ų33.144%0.43519%0.191SC..THydrogen-bonded Turntrans-55.1-28.2-172.3-29.535.7000114.9Y256P209-Y256 HydrophobicContact CB-CD2 4.33Å; P209-Y256 HydrophobicContact CB-CE2 4.09Å; P209-Y256 HydrophobicContact CG-CE2 4.28Å
210D98.1Very high97.6Very high0 Ų033.1 Ų33.10%019%0.191CC..THydrogen-bonded Turntrans-95.21.3-179-160.332.3000114.2H208 S250 I251 N254 Y256 C257 V400H208-D210 PolarHBondContact ND1-N 2.96Å; H208-D210 PolarHBondContact O-N 3.3Å; D210-S250 VanDerWaalsContact O-CA 3.32Å; D210-S250 WeakPolarHBondContact O-CA 3.45Å; D210-S250 WeakPolarHBondContact OD2-CB 3.45Å; D210-S250 PolarHBondContact OD2-OG 3.11Å; D210-I251 WeakPolarHBondContact O-CG1 3.34Å; D210-I251 PolarHBondContact O-N 3.44Å; D210-I251 PolarHBondContact OD1-N 3.35Å; D210-N254 PolarHBondContact OD1-ND2 3.13Å; D210-N254 PolarHBondContact OD1-OD1 2.86Å; D210-Y256 HydrophobicContact CB-CD1 3.88Å; D210-C257 WeakPolarHBondContact OD2-CB 3.48Å; D210-V400 HydrophobicContact CB-CG1 3.7Å; D210-V400 WeakPolarHBondContact OD2-CG1 3.2Å
211L98.4Very high97.6Very high2 Ų234 Ų341%0.0120%0.197CC..THydrogen-bonded Turntrans-123.3-27.9176.7-68.2178.6000113.3H208 A213 N214 Y215 T242 A245 I267 V400H208-L211 HydrophobicContact CB-CB 4.22Å; H208-L211 HydrophobicContact CB-CD1 4.26Å; H208-L211 HydrophobicContact CB-CG 4.38Å; H208-L211 PolarHBondContact O-N 3.09Å; L211-A213 PolarHBondContact O-N 3.16Å; L211-N214 CarbonylContact O-C 3.35Å; L211-N214 WeakPolarHBondContact O-CA 3.29Å; L211-N214 PolarHBondContact O-N 3.02Å; L211-Y215 PolarHBondContact O-N 3.2Å; L211-T242 HydrophobicContact CD1-CG2 4Å; L211-A245 HydrophobicContact CD1-CB 4.01Å; L211-A245 HydrophobicContact CD2-CB 4.43Å; L211-I267 HydrophobicContact CD2-CG2 4.38Å; L211-V400 HydrophobicContact CD1-CG2 4.05Å; L211-V400 HydrophobicContact CG-CG1 4.49Å; L211-V400 HydrophobicContact CG-CG2 4.41Å
212A97.9Very high97.5Very high48 Ų4834.1 Ų34.140%0.39720%0.197SC..THydrogen-bonded Turntrans-55.9-33.6-165.900000114.4R206 H208 N214R206-A212 WeakPolarHBondContact O-CA 3.43Å; H208-A212 WeakPolarHBondContact O-CB 3.04Å; H208-A212 PolarHBondContact O-N 3.48Å; A212-N214 VanDerWaalsContact C-N 3.29Å; A212-N214 PolarHBondContact O-N 2.68Å
213A98Very high97.5Very high82 Ų8234.8 Ų34.868%0.67820%0.2SC*.THydrogen-bonded Turntrans-70.8-25.9177.500000113.3L211 I251L211-A213 PolarHBondContact O-N 3.16Å; A213-I251 HydrophobicContact CB-CD1 3.53Å; A213-I251 HydrophobicContact CB-CG1 4.16Å
214N98.6Very high97.4Very high24 Ų2436.3 Ų36.313%0.12821%0.209CC..THydrogen-bonded Turntrans-98.2-8.2-179.6-73.5-20.5000112.6L211 A212 D216 A249 F263 A265 K266 I267L211-N214 CarbonylContact O-C 3.35Å; L211-N214 WeakPolarHBondContact O-CA 3.29Å; L211-N214 PolarHBondContact O-N 3.02Å; A212-N214 VanDerWaalsContact C-N 3.29Å; A212-N214 PolarHBondContact O-N 2.68Å; N214-D216 PolarHBondContact O-N 2.88Å; N214-A249 HydrophobicContact CB-CB 4.38Å; N214-A249 PolarHBondContact ND2-O 2.67Å; N214-F263 PolarHBondContact ND2-O 2.97Å; N214-A265 WeakPolarHBondContact CB-O 3.34Å; N214-K266 CarbonylContact O-C 3.55Å; N214-K266 WeakPolarHBondContact O-CA 3.3Å; N214-I267 HydrophobicContact CB-CG2 3.95Å; N214-I267 PolarHBondContact O-N 3.38Å
215Y98.6Very high97.2Very high47 Ų4738 Ų3818%0.18423%0.227CC..BIsolated β-bridgetrans-57.6131.9-177.3173.2-108.7000112.7I204 R206 L211 P217 S220 P230 I267I204-Y215 HydrophobicContact CD1-CD2 3.84Å; I204-Y215 HydrophobicContact CD1-CE2 4.05Å; I204-Y215 HydrophobicContact CG1-CE2 4.5Å; R206-Y215 HydrophobicContact CB-CD1 4.07Å; R206-Y215 HydrophobicContact CB-CD2 3.51Å; R206-Y215 HydrophobicContact CB-CE1 3.97Å; R206-Y215 HydrophobicContact CB-CE2 3.39Å; R206-Y215 HydrophobicContact CB-CG 3.84Å; L211-Y215 PolarHBondContact O-N 3.2Å; Y215-P217 HydrophobicContact CE1-CB 3.91Å; Y215-P217 HydrophobicContact CE1-CG 4.41Å; Y215-S220 WeakPolarHBondContact CE2-OG 3.49Å; Y215-P230 HydrophobicContact CE2-CG 4.11Å; Y215-I267 CarbonylContact C-O 3.46Å; Y215-I267 WeakPolarHBondContact CA-O 3.31Å
216D98.6Very high97Very high10 Ų1039.8 Ų39.85%0.05324%0.235CC..  trans-118.4103.2-179.1-172-5.1000111.2S196 N214 L218 A219 S220 K266 I267 H292S196-D216 PolarHBondContact OG-OD2 3.37Å; N214-D216 PolarHBondContact O-N 2.88Å; D216-L218 PolarHBondContact O-N 3.3Å; D216-L218 WeakPolarHBondContact OD1-CB 3.17Å; D216-L218 PolarHBondContact OD1-N 2.82Å; D216-A219 HydrophobicContact CB-CB 3.96Å; D216-A219 PolarHBondContact O-N 2.83Å; D216-A219 VanDerWaalsContact O-N 3.12Å; D216-S220 PolarHBondContact O-N 3.29Å; D216-S220 PolarHBondContact O-OG 3.48Å; D216-K266 HydrophobicContact CB-CB 3.88Å; D216-K266 WeakPolarHBondContact OD2-CB 3.34Å; D216-I267 PolarHBondContact N-O 3.42Å; D216-H292 IonicContact OD1-CE1 3.29Å; D216-H292 IonicContact OD1-NE2 3.48Å; D216-H292 PolarHBondContact OD1-NE2 2.9Å; D216-H292 IonicContact OD2-CD2 3.21Å; D216-H292 IonicContact OD2-CE1 2.72Å; D216-H292 IonicContact OD2-NE2 2.96Å; D216-H292 PolarHBondContact OD2-NE2 3.37Å
217P98.2Very high96.9Very high81 Ų8138.5 Ų38.553%0.52624%0.236SC..G310 helixtrans-65.5-24178.925.6-33.6000112.7Y215 A219 S220Y215-P217 HydrophobicContact CE1-CB 3.91Å; Y215-P217 HydrophobicContact CE1-CG 4.41Å; P217-A219 VanDerWaalsContact C-N 3.3Å; P217-S220 PolarHBondContact O-N 2.96Å
218L98Very high96.8Very high97 Ų9738.4 Ų38.451%0.50824%0.236SC..G310 helixtrans-80.2-14.5177.5-64.3178.7000112.6D216 N289 H292D216-L218 PolarHBondContact O-N 3.3Å; D216-L218 WeakPolarHBondContact OD1-CB 3.17Å; D216-L218 PolarHBondContact OD1-N 2.82Å; L218-N289 WeakPolarHBondContact O-CB 3.3Å; L218-N289 PolarHBondContact O-ND2 3.48Å; L218-H292 WeakPolarHBondContact CB-NE2 3.5Å
219A98.4Very high96.8Very high0 Ų041 Ų410%025%0.25CC..G310 helixtrans-99.61217200000112.7S196 S198 D216 P217 G268 G269 I293S196-A219 WeakPolarHBondContact OG-CB 3.33Å; S198-A219 WeakPolarHBondContact CB-O 3.37Å; S198-A219 PolarHBondContact OG-O 2.72Å; D216-A219 HydrophobicContact CB-CB 3.96Å; D216-A219 PolarHBondContact O-N 2.83Å; D216-A219 VanDerWaalsContact O-N 3.12Å; P217-A219 VanDerWaalsContact C-N 3.3Å; A219-G268 CarbonylContact O-C 3.37Å; A219-G268 WeakPolarHBondContact O-CA 3.17Å; A219-G269 PolarHBondContact O-N 3.35Å; A219-I293 HydrophobicContact CB-CD1 4.12Å; A219-I293 HydrophobicContact CB-CG1 3.88Å
220S98.5Very high96.7Very high3 Ų337.8 Ų37.82%0.02123%0.229CC..  trans-128.6148.3-171.9-59.70000113Y215 D216 P217 G268 G269Y215-S220 WeakPolarHBondContact CE2-OG 3.49Å; D216-S220 PolarHBondContact O-N 3.29Å; D216-S220 PolarHBondContact O-OG 3.48Å; P217-S220 PolarHBondContact O-N 2.96Å; S220-G268 WeakPolarHBondContact OG-CA 3.48Å; S220-G269 WeakPolarHBondContact CA-O 3.31Å; S220-G269 PolarHBondContact OG-N 3.3Å; S220-G269 VanDerWaalsContact OG-N 3.11Å
221T97.4Very high96.7Very high19 Ų1939.7 Ų39.712%0.11724%0.241CC..EExtended strand (participates in β ladder)trans-168.2155.1169.9-170.10000110.4I223 D227 G269 V270 R271 L288T221-I223 HydrophobicContact CG2-CD1 4.46Å; T221-I223 HydrophobicContact CG2-CG1 3.91Å; T221-D227 PolarHBondContact OG1-O 3.21Å; T221-G269 PolarHBondContact N-O 3.13Å; T221-G269 VanDerWaalsContact N-O 3.1Å; T221-V270 HydrophobicContact CG2-CG1 3.86Å; T221-V270 HydrophobicContact CG2-CG2 4.23Å; T221-V270 WeakPolarHBondContact O-CA 3.32Å; T221-R271 PolarHBondContact O-N 2.86Å; T221-L288 HydrophobicContact CG2-CD1 4.01Å; T221-L288 HydrophobicContact CG2-CD2 3.81Å; T221-L288 HydrophobicContact CG2-CG 4.48Å
222D97.2Very high96.4Very high3 Ų340.3 Ų40.32%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-103.5102.7167.9-172.2-4.4000110.7N224 G225 H226 D227 D229 R271D222-N224 WeakPolarHBondContact OD1-CA 3.5Å; D222-N224 PolarHBondContact OD1-N 2.88Å; D222-G225 PolarHBondContact OD1-N 3Å; D222-G225 WeakPolarHBondContact OD2-CA 3.34Å; D222-G225 PolarHBondContact OD2-N 3.16Å; D222-H226 WeakPolarHBondContact O-CA 3.33Å; D222-H226 PolarHBondContact O-N 2.85Å; D222-D227 WeakPolarHBondContact CA-O 3.27Å; D222-D227 PolarHBondContact N-O 3.32Å; D222-D227 PolarHBondContact O-N 3.16Å; D222-D229 WeakPolarHBondContact CB-O 3.24Å; D222-R271 HydrophobicContact CB-CB 4.33Å; D222-R271 IonicContact OD2-CZ 3.51Å; D222-R271 IonicContact OD2-NE 2.79Å; D222-R271 IonicContact OD2-NH1 2.71Å; D222-R271 PolarHBondContact OD2-NH1 3.42Å
223I96.5Very high96Very high13 Ų1342.8 Ų42.87%0.06725%0.248CC..THydrogen-bonded Turntrans-76.6-33.8177-60178.4000110.4F76 T221 H226 V270 R271 M272 V281 A284F76-I223 HydrophobicContact CE2-CG2 4.44Å; F76-I223 HydrophobicContact CZ-CG2 4.37Å; T221-I223 HydrophobicContact CG2-CD1 4.46Å; T221-I223 HydrophobicContact CG2-CG1 3.91Å; I223-H226 PolarHBondContact O-CE1 2.87Å; I223-H226 VanDerWaalsContact O-CE1 3.29Å; I223-H226 PolarHBondContact O-ND1 2.92Å; I223-V270 HydrophobicContact CD1-CG1 3.49Å; I223-V270 VanDerWaalsContact CD1-CG1 3.49Å; I223-V270 HydrophobicContact CG1-CG1 3.88Å; I223-R271 PolarHBondContact N-O 3.35Å; I223-M272 HydrophobicContact CD1-CB 4.48Å; I223-V281 HydrophobicContact CG2-CB 4.37Å; I223-V281 HydrophobicContact CG2-CG1 4Å; I223-V281 HydrophobicContact CG2-CG2 4.11Å; I223-A284 HydrophobicContact CD1-CB 3.82Å
224N94.3Very high95.4Very high32 Ų3244.8 Ų44.817%0.17125%0.247CC..THydrogen-bonded Turntrans-70.4-42.4-179.4-61.1126.8000111.4D222 R271 M272 D274D222-N224 WeakPolarHBondContact OD1-CA 3.5Å; D222-N224 PolarHBondContact OD1-N 2.88Å; N224-R271 PolarHBondContact N-O 3.12Å; N224-R271 VanDerWaalsContact OD1-C 3.23Å; N224-R271 PolarHBondContact OD1-O 2.71Å; N224-M272 PolarHBondContact ND2-O 3.41Å; N224-M272 VanDerWaalsContact ND2-O 3.17Å; N224-M272 WeakPolarHBondContact OD1-CA 3.33Å; N224-M272 PolarHBondContact OD1-N 2.89Å; N224-M272 PolarHBondContact OD1-O 2.95Å; N224-D274 PolarHBondContact OD1-N 3.17Å
225G92.8Very high94.6Very high38 Ų3848 Ų4839%0.39226%0.264SS..THydrogen-bonded Turntrans-85.9-19177.200000115D222D222-G225 PolarHBondContact OD1-N 3Å; D222-G225 WeakPolarHBondContact OD2-CA 3.34Å; D222-G225 PolarHBondContact OD2-N 3.16Å
226H91.3Very high93.5Very high55 Ų5548.2 Ų48.226%0.25528%0.281SS..THydrogen-bonded Turntrans65.138.4-175.2-49.3-53.2000114.3R65 D222 I223R65-H226 HydrophobicContact CB-CB 4.25Å; D222-H226 WeakPolarHBondContact O-CA 3.33Å; D222-H226 PolarHBondContact O-N 2.85Å; I223-H226 PolarHBondContact O-CE1 2.87Å; I223-H226 VanDerWaalsContact O-CE1 3.29Å; I223-H226 PolarHBondContact O-ND1 2.92Å
227D93.8Very high92.5Very high80 Ų8052.9 Ų52.943%0.42831%0.306SS..BIsolated β-bridgetrans-137-171173.965.754.9000111.6T221 D222 D229T221-D227 PolarHBondContact OG1-O 3.21Å; D222-D227 WeakPolarHBondContact CA-O 3.27Å; D222-D227 PolarHBondContact N-O 3.32Å; D222-D227 PolarHBondContact O-N 3.16Å; D227-D229 PolarHBondContact OD1-N 2.92Å
228D94.2Very high92.1Very high106 Ų10649.3 Ų49.357%0.56728%0.283SS*.SBendtrans-100.71.4-174.2-63.7-33.8000113.2P230D228-P230 WeakPolarHBondContact O-CD 3.44Å
229D96.1Very high91.8Very high54 Ų5447 Ų4729%0.28927%0.269SS..  trans-9499.7179.7-165.7-17.1000111R206 D222 D227 T231R206-D229 WeakPolarHBondContact CD-OD1 3.26Å; R206-D229 IonicContact CZ-OD1 3.81Å; R206-D229 IonicContact CZ-OD2 3.22Å; R206-D229 VanDerWaalsContact NE-CG 3.28Å; R206-D229 IonicContact NE-OD1 3.04Å; R206-D229 PolarHBondContact NE-OD1 3.45Å; R206-D229 IonicContact NE-OD2 2.69Å; R206-D229 PolarHBondContact NE-OD2 3.2Å; R206-D229 VanDerWaalsContact NE-OD2 3.11Å; R206-D229 IonicContact NH2-OD2 3.42Å; R206-D229 PolarHBondContact NH2-OD2 3.42Å; D222-D229 WeakPolarHBondContact CB-O 3.24Å; D227-D229 PolarHBondContact OD1-N 2.92Å; D229-T231 PolarHBondContact O-N 3.43Å; D229-T231 VanDerWaalsContact OD1-CB 3.24Å; D229-T231 WeakPolarHBondContact OD1-CB 3.47Å; D229-T231 PolarHBondContact OD1-N 2.91Å; D229-T231 VanDerWaalsContact OD1-N 3.1Å; D229-T231 PolarHBondContact OD1-OG1 2.96Å
230P96.7Very high91.7Very high0 Ų047.2 Ų47.20%027%0.27CS..  trans-767.5-176.539.5-43.5000113.1G203 I204 Y215 D228 G269G203-P230 CarbonylContact C-O 3.58Å; G203-P230 WeakPolarHBondContact CA-O 3.39Å; I204-P230 HydrophobicContact CG1-CB 4.45Å; I204-P230 HydrophobicContact CG1-CG 3.98Å; I204-P230 PolarHBondContact N-O 3.2Å; I204-P230 CarbonylContact O-C 3.03Å; Y215-P230 HydrophobicContact CE2-CG 4.11Å; D228-P230 WeakPolarHBondContact O-CD 3.44Å; P230-G269 WeakPolarHBondContact CB-O 3.19Å
231T96.4Very high91.6Very high40 Ų4047 Ų4725%0.24527%0.269CS..PPolyproline II helixtrans-61.3126-176.4-570000109.8I204 D229 R271I204-T231 WeakPolarHBondContact O-CA 3.17Å; D229-T231 PolarHBondContact O-N 3.43Å; D229-T231 VanDerWaalsContact OD1-CB 3.24Å; D229-T231 WeakPolarHBondContact OD1-CB 3.47Å; D229-T231 PolarHBondContact OD1-N 2.91Å; D229-T231 VanDerWaalsContact OD1-N 3.1Å; D229-T231 PolarHBondContact OD1-OG1 2.96Å; T231-R271 PolarHBondContact O-NH1 2.88Å
232P93.2Very high91.6Very high15 Ų1546.1 Ų46.110%0.09726%0.263CS..PPolyproline II helixtrans-66.7157.6179.826-33.3000111.7N238P232-N238 HydrophobicContact CB-CB 3.68Å; P232-N238 WeakPolarHBondContact CB-O 3.23Å; P232-N238 VanDerWaalsContact CG-O 3.32Å; P232-N238 WeakPolarHBondContact CG-O 3.25Å
233Q88.2Confident91.6Very high99 Ų9946.8 Ų46.846%0.46327%0.265SS..PPolyproline II helixtrans-65.9136.8168-77.3172.690.700110.9D235 N238 D274Q233-D235 VanDerWaalsContact C-N 3.3Å; Q233-D235 PolarHBondContact O-N 2.83Å; Q233-N238 WeakPolarHBondContact O-CB 3.27Å; Q233-D274 VanDerWaalsContact NE2-CG 3.33Å; Q233-D274 PolarHBondContact NE2-OD1 2.92Å; Q233-D274 PolarHBondContact NE2-OD2 3.05Å
234D85.5Confident91.7Very high124 Ų12446.2 Ų46.266%0.66326%0.262SS*.SBendtrans-82.974.4174.4-171.317.7000110.7
235D81.8Confident91.9Very high91 Ų9144.7 Ų44.749%0.48725%0.254SS..SBendtrans-119.55.4-179.767.7-1.2000114Q233 D237 N238Q233-D235 VanDerWaalsContact C-N 3.3Å; Q233-D235 PolarHBondContact O-N 2.83Å; D235-D237 VanDerWaalsContact C-N 3.33Å; D235-D237 PolarHBondContact O-N 2.02Å; D235-D237 PolarHBondContact OD1-N 2.93Å; D235-D237 VanDerWaalsContact OD1-N 3.16Å; D235-N238 PolarHBondContact OD1-N 3.36Å; D235-N238 PolarHBondContact OD1-ND2 3.28Å; D235-N238 PolarHBondContact OD2-ND2 3.34Å; D235-N238 VanDerWaalsContact OD2-ND2 3.1Å
236G75.5Confident92.2Very high53 Ų5342.9 Ų42.955%0.54624%0.236SC..SBendtrans87.1-14.4178.600000115.7K239G236-K239 PolarHBondContact O-NZ 3.49Å
237D79.4Confident92.6Very high108 Ų10840.4 Ų40.458%0.57822%0.224SC*.SBendtrans-100-31.8179.6-16231.4000112.1K115 D235 K239K115-D237 PolarHBondContact NZ-O 2.91Å; D235-D237 VanDerWaalsContact C-N 3.33Å; D235-D237 PolarHBondContact O-N 2.02Å; D235-D237 PolarHBondContact OD1-N 2.93Å; D235-D237 VanDerWaalsContact OD1-N 3.16Å; D237-K239 VanDerWaalsContact C-N 3.35Å; D237-K239 PolarHBondContact O-N 3.19Å
238N89Confident92.8Very high6 Ų636.6 Ų36.63%0.03220%0.204CC..THydrogen-bonded Turntrans-89.460.7-174.6-64.7-56.4000114.2D202 P232 Q233 D235 D274D202-N238 HydrophobicContact CB-CB 4.21Å; D202-N238 WeakPolarHBondContact CB-OD1 3.27Å; D202-N238 VanDerWaalsContact OD2-C 3.26Å; D202-N238 WeakPolarHBondContact OD2-CA 3.16Å; P232-N238 HydrophobicContact CB-CB 3.68Å; P232-N238 WeakPolarHBondContact CB-O 3.23Å; P232-N238 VanDerWaalsContact CG-O 3.32Å; P232-N238 WeakPolarHBondContact CG-O 3.25Å; Q233-N238 WeakPolarHBondContact O-CB 3.27Å; D235-N238 PolarHBondContact OD1-N 3.36Å; D235-N238 PolarHBondContact OD1-ND2 3.28Å; D235-N238 PolarHBondContact OD2-ND2 3.34Å; D235-N238 VanDerWaalsContact OD2-ND2 3.1Å; N238-D274 PolarHBondContact ND2-OD1 3.24Å
239K92.5Very high93Very high48 Ų4831.5 Ų31.521%0.20918%0.177CC..THydrogen-bonded Turntrans-112.9-6177.863.5-160.9174.9-157.30114.7D122 D202 G236 D237 R243 V402D122-K239 WeakPolarHBondContact OD2-CE 3.19Å; D122-K239 IonicContact OD2-NZ 3.52Å; D122-K239 PolarHBondContact OD2-NZ 3.14Å; D202-K239 PolarHBondContact OD2-N 3.4Å; G236-K239 PolarHBondContact O-NZ 3.49Å; D237-K239 VanDerWaalsContact C-N 3.35Å; D237-K239 PolarHBondContact O-N 3.19Å; K239-R243 WeakPolarHBondContact O-CG 3.38Å; K239-R243 PolarHBondContact O-N 3.41Å; K239-V402 VanDerWaalsContact CA-CG2 3.45Å; K239-V402 HydrophobicContact CB-CG2 3.33Å
240H95Very high93.2Very high4 Ų429 Ų292%0.01916%0.163CC..Hα-helixtrans-74.9-47.9-160.4-176.4-98.3000112.8K115 D117 D201 D202 T242 R243 C244 S414K115-H240 HydrophobicContact CD-CB 3.7Å; D117-H240 IonicContact OD2-CD2 3.69Å; D201-H240 IonicContact OD1-CG 3.44Å; D201-H240 IonicContact OD1-ND1 3.46Å; D201-H240 PolarHBondContact OD1-ND1 3.41Å; D201-H240 IonicContact OD2-CE1 3.13Å; D201-H240 PolarHBondContact OD2-CE1 2.75Å; D201-H240 VanDerWaalsContact OD2-CE1 3.24Å; D201-H240 IonicContact OD2-ND1 3.39Å; D201-H240 PolarHBondContact OD2-ND1 3.25Å; D202-H240 VanDerWaalsContact OD2-CB 3.24Å; D202-H240 WeakPolarHBondContact OD2-CB 3.36Å; D202-H240 PolarHBondContact OD2-N 2.97Å; H240-T242 VanDerWaalsContact C-N 3.34Å; H240-T242 PolarHBondContact O-N 3.32Å; H240-R243 WeakPolarHBondContact O-CB 3.44Å; H240-R243 PolarHBondContact O-N 3.42Å; H240-C244 PolarHBondContact O-N 3.06Å; H240-C244 PolarHBondContact O-SG 3.28Å; H240-S414 PolarHBondContact CE1-OG 2.89Å; H240-S414 WeakPolarHBondContact NE2-CB 3.42Å; H240-S414 PolarHBondContact NE2-OG 2.96Å
241G97.3Very high93.3Very high0 Ų030.5 Ų30.50%017%0.171CC..Hα-helixtrans-64.6-37.6178.600000112.6D202 G203 C244 A245D202-G241 WeakPolarHBondContact OD1-CA 3.36Å; D202-G241 PolarHBondContact OD1-N 3.37Å; G203-G241 CarbonylContact O-C 3.54Å; G203-G241 WeakPolarHBondContact O-CA 3.43Å; G241-C244 WeakPolarHBondContact O-CB 3.5Å; G241-C244 PolarHBondContact O-N 3.12Å; G241-A245 WeakPolarHBondContact O-CB 3.37Å; G241-A245 PolarHBondContact O-N 2.95Å
242T97.7Very high93.3Very high0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-64.6-42.6175.1-55.50000111.8G203 I204 Q205 L211 H240 C244 A245 G246 V400 V402G203-T242 PolarHBondContact O-N 3.16Å; I204-T242 WeakPolarHBondContact CA-OG1 3.47Å; Q205-T242 HydrophobicContact CB-CG2 4.05Å; Q205-T242 PolarHBondContact N-OG1 3.02Å; L211-T242 HydrophobicContact CD1-CG2 4Å; H240-T242 VanDerWaalsContact C-N 3.34Å; H240-T242 PolarHBondContact O-N 3.32Å; T242-C244 PolarHBondContact O-N 3.39Å; T242-A245 WeakPolarHBondContact O-CB 3.33Å; T242-A245 PolarHBondContact O-N 3.16Å; T242-G246 PolarHBondContact O-N 3.37Å; T242-G246 VanDerWaalsContact O-N 3.1Å; T242-V400 HydrophobicContact CG2-CG2 3.76Å; T242-V400 WeakPolarHBondContact O-CG2 3.22Å; T242-V402 VanDerWaalsContact CB-CG1 3.41Å; T242-V402 HydrophobicContact CG2-CG1 3.39Å; T242-V402 WeakPolarHBondContact OG1-CG1 3.4Å
243R97.5Very high93.5Very high17 Ų1730.8 Ų30.86%0.06418%0.182CC..Hα-helixtrans-58.7-45.9172.8-73.5171.2177.8-166.4-6.1111.2D122 K239 H240 A245 G246 E247 T399 V400 D401 T407D122-R243 IonicContact OD1-CZ 3.48Å; D122-R243 IonicContact OD1-NH1 3.49Å; D122-R243 IonicContact OD1-NH2 2.76Å; D122-R243 PolarHBondContact OD1-NH2 3.2Å; D122-R243 VanDerWaalsContact OD1-NH2 3.13Å; D122-R243 IonicContact OD2-NH2 3.37Å; D122-R243 PolarHBondContact OD2-NH2 3.1Å; K239-R243 WeakPolarHBondContact O-CG 3.38Å; K239-R243 PolarHBondContact O-N 3.41Å; H240-R243 WeakPolarHBondContact O-CB 3.44Å; H240-R243 PolarHBondContact O-N 3.42Å; R243-A245 VanDerWaalsContact C-N 3.32Å; R243-A245 PolarHBondContact O-N 3.03Å; R243-G246 PolarHBondContact O-N 2.96Å; R243-E247 PolarHBondContact O-N 2.74Å; R243-T399 HydrophobicContact CB-CG2 3.7Å; R243-T399 HydrophobicContact CG-CG2 4.01Å; R243-T399 WeakPolarHBondContact O-CB 3.4Å; R243-T399 WeakPolarHBondContact O-CG2 3.08Å; R243-T399 PolarHBondContact O-OG1 3.4Å; R243-V400 VanDerWaalsContact CG-O 3.27Å; R243-V400 WeakPolarHBondContact CG-O 2.98Å; R243-D401 IonicContact CZ-OD1 3.57Å; R243-D401 IonicContact CZ-OD2 2.9Å; R243-D401 IonicContact NE-OD1 3.62Å; R243-D401 PolarHBondContact NE-OD1 3.45Å; R243-D401 IonicContact NE-OD2 2.7Å; R243-D401 VanDerWaalsContact NH2-CG 3.35Å; R243-D401 IonicContact NH2-OD1 2.62Å; R243-D401 PolarHBondContact NH2-OD1 3.04Å; R243-D401 IonicContact NH2-OD2 2.72Å; R243-D401 PolarHBondContact NH2-OD2 2.98Å; R243-T407 HydrophobicContact CG-CG2 4.06Å
244C98.5Very high93.9Very high0 Ų028.7 Ų28.70%017%0.174CC..Hα-helixtrans-60.7-39.8175.6-65.70000112.2I199 H240 G241 T242 E247 P418I199-C244 HydrophobicContact CD1-CB 4.42Å; I199-C244 HydrophobicContact CG2-CB 3.96Å; H240-C244 PolarHBondContact O-N 3.06Å; H240-C244 PolarHBondContact O-SG 3.28Å; G241-C244 WeakPolarHBondContact O-CB 3.5Å; G241-C244 PolarHBondContact O-N 3.12Å; T242-C244 PolarHBondContact O-N 3.39Å; C244-E247 PolarHBondContact O-N 2.75Å; C244-P418 HydrophobicContact CB-CB 4.1Å; C244-P418 HydrophobicContact CB-CG 4Å; C244-P418 VanDerWaalsContact O-CB 3.27Å; C244-P418 WeakPolarHBondContact O-CB 3.38Å
245A98.8Very high94.5Very high0 Ų027.3 Ų27.30%017%0.17CC..Hα-helixtrans-64.5-39.2179.500000112.7I199 I204 L211 G241 T242 R243 E247 V248 A249 I267I199-A245 HydrophobicContact CG1-CB 4.04Å; I204-A245 HydrophobicContact CG2-CB 3.8Å; L211-A245 HydrophobicContact CD1-CB 4.01Å; L211-A245 HydrophobicContact CD2-CB 4.43Å; G241-A245 WeakPolarHBondContact O-CB 3.37Å; G241-A245 PolarHBondContact O-N 2.95Å; T242-A245 WeakPolarHBondContact O-CB 3.33Å; T242-A245 PolarHBondContact O-N 3.16Å; R243-A245 VanDerWaalsContact C-N 3.32Å; R243-A245 PolarHBondContact O-N 3.03Å; A245-E247 PolarHBondContact O-N 2.88Å; A245-V248 PolarHBondContact O-N 2.96Å; A245-A249 PolarHBondContact O-N 3.1Å; A245-I267 HydrophobicContact CB-CD1 4.35Å; A245-I267 HydrophobicContact CB-CG1 3.83Å
246G98.7Very high95.2Very high1 Ų126.9 Ų26.91%0.0116%0.162CC..Hα-helixtrans-64.1-36.5177.100000113.8T242 R243 V248 A249 S250 G260 T399T242-G246 PolarHBondContact O-N 3.37Å; T242-G246 VanDerWaalsContact O-N 3.1Å; R243-G246 PolarHBondContact O-N 2.96Å; G246-V248 PolarHBondContact O-N 3.49Å; G246-A249 PolarHBondContact O-N 2.87Å; G246-S250 WeakPolarHBondContact CA-OG 3.43Å; G246-S250 VanDerWaalsContact O-CB 3.23Å; G246-S250 WeakPolarHBondContact O-CB 3.33Å; G246-S250 PolarHBondContact O-N 2.71Å; G246-S250 PolarHBondContact O-OG 3.08Å; G246-G260 WeakPolarHBondContact O-CA 3.42Å; G246-T399 VanDerWaalsContact C-OG1 3.31Å; G246-T399 VanDerWaalsContact CA-OG1 3.25Å; G246-T399 WeakPolarHBondContact CA-OG1 3.3Å
247E98.8Very high96.3Very high2 Ų224.3 Ų24.31%0.00914%0.136CC..Hα-helixtrans-62.3-33.9175.8-67.2174.5-98.300112R243 C244 A245 G260 V261 I397 T399 H410 A415 P418 L419R243-E247 PolarHBondContact O-N 2.74Å; C244-E247 PolarHBondContact O-N 2.75Å; A245-E247 PolarHBondContact O-N 2.88Å; E247-G260 WeakPolarHBondContact O-CA 3.23Å; E247-V261 PolarHBondContact O-N 3.33Å; E247-I397 HydrophobicContact CG-CG2 4.01Å; E247-I397 VanDerWaalsContact OE2-CG2 3.28Å; E247-I397 WeakPolarHBondContact OE2-CG2 3.49Å; E247-T399 HydrophobicContact CG-CG2 4.33Å; E247-T399 PolarHBondContact N-OG1 3.27Å; E247-T399 VanDerWaalsContact N-OG1 3.17Å; E247-H410 IonicContact OE1-CD2 3.5Å; E247-H410 PolarHBondContact OE1-CD2 2.49Å; E247-H410 IonicContact OE1-NE2 3.22Å; E247-H410 PolarHBondContact OE1-NE2 2.81Å; E247-A415 VanDerWaalsContact OE2-CA 3.28Å; E247-A415 WeakPolarHBondContact OE2-CA 3.2Å; E247-A415 WeakPolarHBondContact OE2-CB 3.48Å; E247-P418 HydrophobicContact CB-CB 4.19Å; E247-P418 HydrophobicContact CB-CG 4.32Å; E247-P418 WeakPolarHBondContact OE1-CG 3.38Å; E247-L419 HydrophobicContact CB-CD2 4.23Å; E247-L419 WeakPolarHBondContact OE2-CG 3.23Å
248V98.9Very high97.2Very high0 Ų019.3 Ų19.30%011%0.11CC..Hα-helixtrans-75.8-54.7175.5-176.40000110.4V197 I199 A245 G246 G260 V261 A262 I267 P418 A421V197-V248 HydrophobicContact CB-CG1 4.18Å; V197-V248 HydrophobicContact CG1-CG1 4.16Å; V197-V248 HydrophobicContact CG1-CG2 4.49Å; V197-V248 HydrophobicContact CG2-CG1 4.03Å; I199-V248 HydrophobicContact CD1-CG2 4.21Å; A245-V248 PolarHBondContact O-N 2.96Å; G246-V248 PolarHBondContact O-N 3.49Å; V248-G260 CarbonylContact O-C 3.59Å; V248-V261 PolarHBondContact O-N 2.88Å; V248-A262 HydrophobicContact CG1-CB 4.5Å; V248-A262 CarbonylContact O-C 3.58Å; V248-A262 VanDerWaalsContact O-CA 3.3Å; V248-A262 WeakPolarHBondContact O-CA 3.31Å; V248-A262 PolarHBondContact O-N 3.22Å; V248-I267 HydrophobicContact CB-CD1 4.06Å; V248-I267 HydrophobicContact CG1-CD1 4.09Å; V248-I267 HydrophobicContact CG2-CD1 4.47Å; V248-P418 HydrophobicContact CG2-CB 3.78Å; V248-P418 WeakPolarHBondContact CG2-O 3.44Å; V248-A421 HydrophobicContact CG2-CB 4.39Å
249A98.8Very high97.6Very high0 Ų019.1 Ų19.10%011%0.109CC..Hα-helixtrans-139.525.6-157.800000115.2N214 A245 G246 I251 I267N214-A249 HydrophobicContact CB-CB 4.38Å; N214-A249 PolarHBondContact ND2-O 2.67Å; A245-A249 PolarHBondContact O-N 3.1Å; G246-A249 PolarHBondContact O-N 2.87Å; A249-I251 PolarHBondContact O-N 3.07Å; A249-I267 HydrophobicContact CB-CB 3.69Å; A249-I267 HydrophobicContact CB-CG1 4.12Å; A249-I267 HydrophobicContact CB-CG2 3.89Å
250S98.7Very high97.9Very high1 Ų116.8 Ų16.81%0.00710%0.099CC..PPolyproline II helixtrans-53.1135.8163.9-92.20000111D210 G246 A252 G260 F263 V400D210-S250 VanDerWaalsContact O-CA 3.32Å; D210-S250 WeakPolarHBondContact O-CA 3.45Å; D210-S250 WeakPolarHBondContact OD2-CB 3.45Å; D210-S250 PolarHBondContact OD2-OG 3.11Å; G246-S250 WeakPolarHBondContact CA-OG 3.43Å; G246-S250 VanDerWaalsContact O-CB 3.23Å; G246-S250 WeakPolarHBondContact O-CB 3.33Å; G246-S250 PolarHBondContact O-N 2.71Å; G246-S250 PolarHBondContact O-OG 3.08Å; S250-A252 PolarHBondContact O-N 3.37Å; S250-G260 PolarHBondContact O-N 3.1Å; S250-F263 WeakPolarHBondContact O-CB 3.39Å; S250-V400 VanDerWaalsContact OG-CG1 3.28Å; S250-V400 WeakPolarHBondContact OG-CG1 3.31Å
251I98.4Very high98.1Very high32 Ų3216.7 Ų16.716%0.16410%0.098CC..PPolyproline II helixtrans-69.8124.5-174.2-61.8160.5000109.7D210 A213 A249 N254D210-I251 WeakPolarHBondContact O-CG1 3.34Å; D210-I251 PolarHBondContact O-N 3.44Å; D210-I251 PolarHBondContact OD1-N 3.35Å; A213-I251 HydrophobicContact CB-CD1 3.53Å; A213-I251 HydrophobicContact CB-CG1 4.16Å; A249-I251 PolarHBondContact O-N 3.07Å; I251-N254 HydrophobicContact CB-CB 4.49Å; I251-N254 HydrophobicContact CG2-CB 3.97Å; I251-N254 PolarHBondContact O-OD1 2.7Å
252A98Very high98.2Very high23 Ų2316.7 Ų16.719%0.1910%0.098CC..THydrogen-bonded Turntrans-76.3138.3174.500000111.9F159 S250 V259 F263F159-A252 HydrophobicContact CD1-CB 3.92Å; F159-A252 HydrophobicContact CE1-CB 3.61Å; F159-A252 HydrophobicContact CE2-CB 4.31Å; F159-A252 HydrophobicContact CG-CB 4.41Å; F159-A252 HydrophobicContact CZ-CB 3.81Å; S250-A252 PolarHBondContact O-N 3.37Å; A252-V259 HydrophobicContact CB-CG1 3.6Å; A252-V259 HydrophobicContact CB-CG2 4.17Å; A252-F263 HydrophobicContact CB-CB 3.88Å; A252-F263 HydrophobicContact CB-CD1 4.04Å; A252-F263 HydrophobicContact CB-CD2 3.51Å; A252-F263 HydrophobicContact CB-CE1 4.46Å; A252-F263 HydrophobicContact CB-CE2 3.98Å; A252-F263 HydrophobicContact CB-CG 3.54Å; A252-F263 HydrophobicContact CB-CZ 4.44Å
253G97.3Very high98.2Very high38 Ų3817 Ų1739%0.39210%0.1SC..THydrogen-bonded Turntrans80.111.4169.700000115.6D161D161-G253 PolarHBondContact OD1-N 3.36Å; D161-G253 VanDerWaalsContact OD2-CA 3.32Å; D161-G253 WeakPolarHBondContact OD2-CA 3.45Å; D161-G253 PolarHBondContact OD2-N 3.34Å
254N96.9Very high98.3Very high55 Ų5520 Ų2029%0.29412%0.115SC..SBendtrans-88.7-4.8178.672.3-2.3000113.4D161 D210 I251 Y256D161-N254 PolarHBondContact OD1-N 3.29Å; D161-N254 PolarHBondContact OD1-OD1 3.19Å; D210-N254 PolarHBondContact OD1-ND2 3.13Å; D210-N254 PolarHBondContact OD1-OD1 2.86Å; I251-N254 HydrophobicContact CB-CB 4.49Å; I251-N254 HydrophobicContact CG2-CB 3.97Å; I251-N254 PolarHBondContact O-OD1 2.7Å; N254-Y256 WeakPolarHBondContact OD1-CB 3.43Å; N254-Y256 PolarHBondContact OD1-N 3.09Å; N254-Y256 VanDerWaalsContact OD1-N 3.08Å
255V97.6Very high98.3Very high95 Ų9520 Ų2058%0.57612%0.115SC*.SBendtrans6538.8177.5-1580000112.1P160 D161P160-V255 HydrophobicContact CB-CG2 4.23Å; P160-V255 HydrophobicContact CG-CG2 4.19Å; D161-V255 PolarHBondContact OD1-N 2.93Å
256Y96.1Very high98.3Very high81 Ų8124 Ų2432%0.31813%0.132SC..SBendtrans-112.3-78-178.5-162.7-93.5000114P162 H208 P209 D210 N254P162-Y256 WeakPolarHBondContact CG-O 3.32Å; H208-Y256 AromaticContact CE1-CE1 3.76Å; P209-Y256 HydrophobicContact CB-CD2 4.33Å; P209-Y256 HydrophobicContact CB-CE2 4.09Å; P209-Y256 HydrophobicContact CG-CE2 4.28Å; D210-Y256 HydrophobicContact CB-CD1 3.88Å; N254-Y256 WeakPolarHBondContact OD1-CB 3.43Å; N254-Y256 PolarHBondContact OD1-N 3.09Å; N254-Y256 VanDerWaalsContact OD1-N 3.08Å
257C97.8Very high98.3Very high0 Ų024 Ų240%013%0.131CC..SBendtrans-108.7-113.7-179.6-68.40000111.5P162 L163 D210 G405 C406P162-C257 WeakPolarHBondContact CD-O 3.09Å; L163-C257 VanDerWaalsContact CB-O 3.3Å; L163-C257 WeakPolarHBondContact CB-O 3.49Å; L163-C257 PolarHBondContact N-O 3.21Å; D210-C257 WeakPolarHBondContact OD2-CB 3.48Å; C257-G405 PolarHBondContact SG-O 3.11Å; C257-G405 VanDerWaalsContact SG-O 3.33Å; C257-C406 WeakPolarHBondContact CA-SG 3.08Å; C257-C406 HydrophobicContact CB-CB 3.78Å; C257-C406 WeakPolarHBondContact CB-SG 3.41Å; C257-C406 VanDerWaalsContact SG-CA 3.58Å; C257-C406 WeakPolarHBondContact SG-CB 3.18Å; C257-C406 CovalentContact SG-SG 2.02Å; C257-C406 PolarHBondContact SG-SG 2.94Å
258G98.2Very high98.3Very high2 Ų223.9 Ų23.92%0.02113%0.131CC..  trans-115.7-158.1170.600000109.3
259V98.7Very high98.3Very high2 Ų223.9 Ų23.91%0.01213%0.131CC..  trans-121.4132.8-176.5179.30000110.1F159 D161 Y164 Q167 W186 A252 F263F159-V259 HydrophobicContact CB-CG2 3.92Å; F159-V259 HydrophobicContact CD2-CB 4.28Å; F159-V259 HydrophobicContact CD2-CG1 4.08Å; F159-V259 HydrophobicContact CD2-CG2 3.72Å; F159-V259 HydrophobicContact CE2-CG1 3.93Å; F159-V259 HydrophobicContact CE2-CG2 4.41Å; F159-V259 HydrophobicContact CG-CG2 3.92Å; D161-V259 HydrophobicContact CB-CG2 4.18Å; D161-V259 WeakPolarHBondContact OD2-CG2 3.09Å; Y164-V259 HydrophobicContact CD2-CB 4.02Å; Y164-V259 HydrophobicContact CD2-CG2 3.8Å; Y164-V259 HydrophobicContact CE2-CB 4.5Å; Y164-V259 HydrophobicContact CG-CG2 4.29Å; Q167-V259 PolarHBondContact NE2-O 2.94Å; W186-V259 HydrophobicContact CH2-CB 4.45Å; W186-V259 HydrophobicContact CH2-CG1 3.9Å; W186-V259 HydrophobicContact CZ2-CG1 4.1Å; A252-V259 HydrophobicContact CB-CG1 3.6Å; A252-V259 HydrophobicContact CB-CG2 4.17Å; V259-F263 HydrophobicContact CG1-CB 3.99Å; V259-F263 HydrophobicContact CG1-CD1 3.74Å; V259-F263 HydrophobicContact CG1-CG 4.11Å
260G98.8Very high98.2Very high0 Ų023.9 Ų23.90%013%0.131CC..  trans-69.8148.2173.400000111.1G246 E247 V248 S250 A262 F263G246-G260 WeakPolarHBondContact O-CA 3.42Å; E247-G260 WeakPolarHBondContact O-CA 3.23Å; V248-G260 CarbonylContact O-C 3.59Å; S250-G260 PolarHBondContact O-N 3.1Å; G260-A262 PolarHBondContact O-N 3.48Å; G260-F263 PolarHBondContact O-N 3.36Å
261V98.9Very high98.2Very high1 Ų125.2 Ų25.21%0.00614%0.136CC..THydrogen-bonded Turntrans-56.3-39.9178.71730000111.6L170 V182 W186 E247 V248 L419 G422 I423 L426L170-V261 HydrophobicContact CD2-CG2 4.08Å; V182-V261 HydrophobicContact CG1-CG1 3.99Å; V182-V261 HydrophobicContact CG2-CG1 4.1Å; W186-V261 PolarHBondContact NE1-O 2.87Å; E247-V261 PolarHBondContact O-N 3.33Å; V248-V261 PolarHBondContact O-N 2.88Å; V261-L419 HydrophobicContact CG2-CD2 3.6Å; V261-G422 VanDerWaalsContact CG1-C 3.46Å; V261-I423 HydrophobicContact CG1-CG1 3.85Å; V261-L426 HydrophobicContact CG1-CD1 3.92Å; V261-L426 HydrophobicContact CG1-CG 4.46Å
262A98.8Very high98.1Very high0 Ų023.7 Ų23.70%013%0.128CC..THydrogen-bonded Turntrans-118.362177.800000109.5A191 V248 G260 H264 A265 A425 L426A191-A262 CarbonylContact O-C 3.57Å; A191-A262 VanDerWaalsContact O-CA 3.27Å; A191-A262 WeakPolarHBondContact O-CA 3.41Å; V248-A262 HydrophobicContact CG1-CB 4.5Å; V248-A262 CarbonylContact O-C 3.58Å; V248-A262 VanDerWaalsContact O-CA 3.3Å; V248-A262 WeakPolarHBondContact O-CA 3.31Å; V248-A262 PolarHBondContact O-N 3.22Å; G260-A262 PolarHBondContact O-N 3.48Å; A262-H264 PolarHBondContact O-N 3.38Å; A262-A265 HydrophobicContact CB-CB 3.87Å; A262-A265 WeakPolarHBondContact O-CB 3.02Å; A262-A265 PolarHBondContact O-N 3.29Å; A262-A425 HydrophobicContact CB-CB 3.83Å; A262-L426 HydrophobicContact CB-CD2 4.21Å
263F98.7Very high98Very high7 Ų723.7 Ų23.73%0.03113%0.125CC..THydrogen-bonded Turntrans-62-2.8-172.559.8-99.8000116.5P155 F159 W186 A191 N214 S250 A252 V259 G260P155-F263 HydrophobicContact CB-CZ 4.45Å; P155-F263 HydrophobicContact CG-CZ 4.28Å; F159-F263 HydrophobicContact CE2-CE1 4.23Å; F159-F263 HydrophobicContact CZ-CD1 4.44Å; F159-F263 AromaticContact CZ-CE1 3.79Å; F159-F263 HydrophobicContact CZ-CE1 3.79Å; F159-F263 AromaticContact CZ-CZ 3.84Å; F159-F263 HydrophobicContact CZ-CZ 3.84Å; W186-F263 AromaticContact CD1-CE1 3.84Å; W186-F263 AromaticContact CD2-CE1 3.91Å; W186-F263 HydrophobicContact CD2-CE1 3.91Å; W186-F263 AromaticContact CE2-CD1 3.85Å; W186-F263 AromaticContact CE2-CE1 3.58Å; W186-F263 HydrophobicContact CG-CE1 4.02Å; W186-F263 AromaticContact CZ2-CD1 3.93Å; W186-F263 HydrophobicContact CZ2-CD1 3.93Å; W186-F263 HydrophobicContact CZ2-CE1 4.07Å; W186-F263 AromaticContact NE1-CD1 3.87Å; W186-F263 AromaticContact NE1-CE1 3.54Å; A191-F263 HydrophobicContact CB-CD1 4.32Å; A191-F263 HydrophobicContact CB-CD2 4.05Å; A191-F263 HydrophobicContact CB-CE1 3.83Å; A191-F263 HydrophobicContact CB-CE2 3.52Å; A191-F263 HydrophobicContact CB-CG 4.42Å; A191-F263 HydrophobicContact CB-CZ 3.39Å; A191-F263 PolarHBondContact O-N 2.78Å; N214-F263 PolarHBondContact ND2-O 2.97Å; S250-F263 WeakPolarHBondContact O-CB 3.39Å; A252-F263 HydrophobicContact CB-CB 3.88Å; A252-F263 HydrophobicContact CB-CD1 4.04Å; A252-F263 HydrophobicContact CB-CD2 3.51Å; A252-F263 HydrophobicContact CB-CE1 4.46Å; A252-F263 HydrophobicContact CB-CE2 3.98Å; A252-F263 HydrophobicContact CB-CG 3.54Å; A252-F263 HydrophobicContact CB-CZ 4.44Å; V259-F263 HydrophobicContact CG1-CB 3.99Å; V259-F263 HydrophobicContact CG1-CD1 3.74Å; V259-F263 HydrophobicContact CG1-CG 4.11Å; G260-F263 PolarHBondContact O-N 3.36Å
264H98.2Very high97.6Very high81 Ų8123 Ų2338%0.37511%0.112SC..THydrogen-bonded Turntrans-117.29.8168.8-68.4166.5000113.4A191 R193 A262A191-H264 HydrophobicContact CB-CB 4.1Å; A191-H264 PolarHBondContact O-N 3.18Å; R193-H264 HydrophobicContact CG-CB 3.6Å; R193-H264 PolarHBondContact NE-ND1 3.45Å; A262-H264 PolarHBondContact O-N 3.38Å
265A98.8Very high97.4Very high0 Ų021.9 Ų21.90%011%0.114CC..SBendtrans-69151.8171.300000111G192 V197 N214 A262G192-A265 WeakPolarHBondContact O-CA 3.34Å; V197-A265 HydrophobicContact CG2-CB 4.49Å; N214-A265 WeakPolarHBondContact CB-O 3.34Å; A262-A265 HydrophobicContact CB-CB 3.87Å; A262-A265 WeakPolarHBondContact O-CB 3.02Å; A262-A265 PolarHBondContact O-N 3.29Å
266K98.9Very high97.1Very high83 Ų8320.9 Ų20.936%0.36111%0.109SC..EExtended strand (participates in β ladder)trans-79.7126.6168.2-71.2-179.4-173.4176.80108.1I195 S196 V197 N214 D216I195-K266 PolarHBondContact O-N 3.22Å; S196-K266 WeakPolarHBondContact CA-O 3.5Å; V197-K266 PolarHBondContact N-O 2.86Å; N214-K266 CarbonylContact O-C 3.55Å; N214-K266 WeakPolarHBondContact O-CA 3.3Å; D216-K266 HydrophobicContact CB-CB 3.88Å; D216-K266 WeakPolarHBondContact OD2-CB 3.34Å
267I98.9Very high97.1Very high0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-121.3123-174.3-167.162.9000111.2V197 I199 L211 N214 Y215 D216 A245 V248 A249V197-I267 HydrophobicContact CB-CD1 3.95Å; V197-I267 HydrophobicContact CG1-CD1 4.12Å; V197-I267 WeakPolarHBondContact O-CA 3.49Å; I199-I267 HydrophobicContact CD1-CD1 4.16Å; I199-I267 HydrophobicContact CG1-CD1 3.92Å; L211-I267 HydrophobicContact CD2-CG2 4.38Å; N214-I267 HydrophobicContact CB-CG2 3.95Å; N214-I267 PolarHBondContact O-N 3.38Å; Y215-I267 CarbonylContact C-O 3.46Å; Y215-I267 WeakPolarHBondContact CA-O 3.31Å; D216-I267 PolarHBondContact N-O 3.42Å; A245-I267 HydrophobicContact CB-CD1 4.35Å; A245-I267 HydrophobicContact CB-CG1 3.83Å; V248-I267 HydrophobicContact CB-CD1 4.06Å; V248-I267 HydrophobicContact CG1-CD1 4.09Å; V248-I267 HydrophobicContact CG2-CD1 4.47Å; A249-I267 HydrophobicContact CB-CB 3.69Å; A249-I267 HydrophobicContact CB-CG1 4.12Å; A249-I267 HydrophobicContact CB-CG2 3.89Å
268G98.7Very high97Very high0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-123170.4173.400000112.1V197 S198 I199 I204 A219 S220V197-G268 PolarHBondContact O-N 2.9Å; S198-G268 WeakPolarHBondContact CA-O 3.3Å; I199-G268 PolarHBondContact N-O 3.28Å; I204-G268 VanDerWaalsContact CD1-C 3.42Å; A219-G268 CarbonylContact O-C 3.37Å; A219-G268 WeakPolarHBondContact O-CA 3.17Å; S220-G268 WeakPolarHBondContact OG-CA 3.48Å
269G98.3Very high96.9Very high0 Ų017.8 Ų17.80%010%0.098CC..EExtended strand (participates in β ladder)trans-140.7141178.700000112I199 A219 S220 T221 P230I199-G269 CarbonylContact O-C 3.59Å; I199-G269 WeakPolarHBondContact O-CA 3.3Å; A219-G269 PolarHBondContact O-N 3.35Å; S220-G269 WeakPolarHBondContact CA-O 3.31Å; S220-G269 PolarHBondContact OG-N 3.3Å; S220-G269 VanDerWaalsContact OG-N 3.11Å; T221-G269 PolarHBondContact N-O 3.13Å; T221-G269 VanDerWaalsContact N-O 3.1Å; P230-G269 WeakPolarHBondContact CB-O 3.19Å
270V98.4Very high96.8Very high0 Ų017.7 Ų17.70%010%0.097CC..EExtended strand (participates in β ladder)trans-108112.7172.3-176.50000108.1I199 L200 D201 T221 I223 M272 L288I199-V270 PolarHBondContact O-N 2.93Å; L200-V270 HydrophobicContact CD2-CB 3.69Å; L200-V270 HydrophobicContact CD2-CG2 3.39Å; D201-V270 CarbonylContact C-O 3.6Å; D201-V270 PolarHBondContact N-O 2.8Å; T221-V270 HydrophobicContact CG2-CG1 3.86Å; T221-V270 HydrophobicContact CG2-CG2 4.23Å; T221-V270 WeakPolarHBondContact O-CA 3.32Å; I223-V270 HydrophobicContact CD1-CG1 3.49Å; I223-V270 VanDerWaalsContact CD1-CG1 3.49Å; I223-V270 HydrophobicContact CG1-CG1 3.88Å; V270-M272 HydrophobicContact CG1-CB 4.25Å; V270-M272 HydrophobicContact CG1-CG 4.44Å; V270-M272 PolarHBondContact O-N 3.37Å; V270-L288 HydrophobicContact CG2-CD2 3.53Å
271R97.5Very high96.7Very high30 Ų3017.7 Ų17.711%0.11310%0.097CC..EExtended strand (participates in β ladder)trans-78.7100.4172.9-179.6160.5170.2-124.9-19.2108.8D202 T221 D222 I223 N224 T231 D274D202-R271 WeakPolarHBondContact O-CD 3.4Å; D202-R271 VanDerWaalsContact O-CG 3.31Å; D202-R271 WeakPolarHBondContact O-CG 3.47Å; T221-R271 PolarHBondContact O-N 2.86Å; D222-R271 HydrophobicContact CB-CB 4.33Å; D222-R271 IonicContact OD2-CZ 3.51Å; D222-R271 IonicContact OD2-NE 2.79Å; D222-R271 IonicContact OD2-NH1 2.71Å; D222-R271 PolarHBondContact OD2-NH1 3.42Å; I223-R271 PolarHBondContact N-O 3.35Å; N224-R271 PolarHBondContact N-O 3.12Å; N224-R271 VanDerWaalsContact OD1-C 3.23Å; N224-R271 PolarHBondContact OD1-O 2.71Å; T231-R271 PolarHBondContact O-NH1 2.88Å; R271-D274 HydrophobicContact CG-CB 4.04Å; R271-D274 IonicContact CZ-OD2 2.72Å; R271-D274 IonicContact NE-OD2 2.75Å; R271-D274 PolarHBondContact NE-OD2 3.04Å; R271-D274 IonicContact NH2-OD2 3.13Å; R271-D274 PolarHBondContact NH2-OD2 3.28Å
272M96.5Very high96.7Very high0 Ų017.7 Ų17.70%010%0.097CC..  trans-131.9-24.2-178.863.7150.5-76.700114.2L200 D201 I223 N224 V270 V277 V281 E282 S285 W300L200-M272 HydrophobicContact CB-SD 4.48Å; D201-M272 WeakPolarHBondContact O-CG 3.38Å; D201-M272 PolarHBondContact O-N 3.13Å; I223-M272 HydrophobicContact CD1-CB 4.48Å; N224-M272 PolarHBondContact ND2-O 3.41Å; N224-M272 VanDerWaalsContact ND2-O 3.17Å; N224-M272 WeakPolarHBondContact OD1-CA 3.33Å; N224-M272 PolarHBondContact OD1-N 2.89Å; N224-M272 PolarHBondContact OD1-O 2.95Å; V270-M272 HydrophobicContact CG1-CB 4.25Å; V270-M272 HydrophobicContact CG1-CG 4.44Å; V270-M272 PolarHBondContact O-N 3.37Å; M272-V277 HydrophobicContact CE-CG1 3.61Å; M272-V277 HydrophobicContact CE-CG2 4.16Å; M272-V281 HydrophobicContact CB-CG1 3.7Å; M272-V281 HydrophobicContact CE-CG1 4.22Å; M272-E282 HydrophobicContact CE-CG 4.4Å; M272-S285 PolarHBondContact SD-OG 3.18Å; M272-W300 HydrophobicContact CE-CH2 4.2Å; M272-W300 HydrophobicContact CE-CZ2 3.77Å; M272-W300 HydrophobicContact SD-CZ2 3.82Å
273L95.3Very high96.7Very high23 Ų2317.7 Ų17.712%0.1210%0.097CC..SBendtrans-90.8-5.8179.7-63.6-177.7000114R113 K115 D201 D202 G275 V277 W300R113-L273 HydrophobicContact CB-CD2 4.12Å; K115-L273 HydrophobicContact CG-CD1 3.71Å; D201-L273 HydrophobicContact CB-CD1 4.45Å; D201-L273 PolarHBondContact O-N 3.48Å; D202-L273 HydrophobicContact CB-CB 4.42Å; L273-G275 PolarHBondContact O-N 3.09Å; L273-V277 HydrophobicContact CD2-CG2 3.81Å; L273-W300 HydrophobicContact CD1-CB 3.9Å; L273-W300 HydrophobicContact CD1-CG 3.82Å; L273-W300 HydrophobicContact CD2-CB 4.5Å; L273-W300 HydrophobicContact CD2-CD2 4.32Å; L273-W300 HydrophobicContact CD2-CG 4.12Å; L273-W300 HydrophobicContact CG-CG 4.47Å
274D90.4Very high96.6Very high23 Ų2317.9 Ų17.912%0.12310%0.1CC..SBendtrans-89.646.4176.1-174.917.9000110.7D202 N224 Q233 N238 R271D202-D274 HydrophobicContact CB-CB 4.41Å; N224-D274 PolarHBondContact OD1-N 3.17Å; Q233-D274 VanDerWaalsContact NE2-CG 3.33Å; Q233-D274 PolarHBondContact NE2-OD1 2.92Å; Q233-D274 PolarHBondContact NE2-OD2 3.05Å; N238-D274 PolarHBondContact ND2-OD1 3.24Å; R271-D274 HydrophobicContact CG-CB 4.04Å; R271-D274 IonicContact CZ-OD2 2.72Å; R271-D274 IonicContact NE-OD2 2.75Å; R271-D274 PolarHBondContact NE-OD2 3.04Å; R271-D274 IonicContact NH2-OD2 3.13Å; R271-D274 PolarHBondContact NH2-OD2 3.28Å
275G91Very high96.6Very high32 Ų3214 Ų1433%0.338%0.082SC..SBendtrans166.8-177.5-175.300000113.2L273 V277L273-G275 PolarHBondContact O-N 3.09Å; G275-V277 PolarHBondContact O-N 3.05Å
276P92.9Very high96.6Very high73 Ų7314 Ų1447%0.4748%0.082SC..  trans-63.7120.5179.7-19.231.2000111.6H40 P110H40-P276 PolarHBondContact CE1-O 3.3Å; P110-P276 HydrophobicContact CB-CB 4.08Å
277V95.2Very high96.6Very high9 Ų910.5 Ų10.56%0.0557%0.068CC..  trans-91.4121.2178.5-174.50000109.9P110 R111 R113 M272 L273 G275 V281 E282P110-V277 CarbonylContact C-O 3.48Å; P110-V277 WeakPolarHBondContact CA-O 3.22Å; R111-V277 PolarHBondContact N-O 3.42Å; R113-V277 HydrophobicContact CB-CG2 4.42Å; R113-V277 HydrophobicContact CG-CB 4.07Å; R113-V277 HydrophobicContact CG-CG1 3.82Å; R113-V277 HydrophobicContact CG-CG2 4.39Å; M272-V277 HydrophobicContact CE-CG1 3.61Å; M272-V277 HydrophobicContact CE-CG2 4.16Å; L273-V277 HydrophobicContact CD2-CG2 3.81Å; G275-V277 PolarHBondContact O-N 3.05Å; V277-V281 HydrophobicContact CG1-CG1 4.36Å; V277-E282 HydrophobicContact CG1-CG 3.76Å
278S95.6Very high96.5Very high0 Ų011.8 Ų11.80%08%0.075CC..  trans-118.2168.9171.7680000110.9H40 Q108 S280 V281 E282H40-S278 PolarHBondContact ND1-OG 3.31Å; Q108-S278 PolarHBondContact OE1-OG 2.83Å; S278-S280 PolarHBondContact O-N 2.84Å; S278-S280 VanDerWaalsContact O-N 3.12Å; S278-S280 PolarHBondContact OG-OG 3.31Å; S278-V281 WeakPolarHBondContact O-CB 3.27Å; S278-V281 PolarHBondContact O-N 3.36Å; S278-E282 PolarHBondContact O-N 3Å
279D95.7Very high96.5Very high10 Ų1015.4 Ų15.45%0.0539%0.094CC..Hα-helixtrans-54.2-32.8177.918042.5000112.6A283 G313 P314 L315 A316D279-A283 VanDerWaalsContact O-CB 3.23Å; D279-A283 WeakPolarHBondContact O-CB 3.44Å; D279-A283 PolarHBondContact O-N 2.57Å; D279-G313 VanDerWaalsContact CG-CA 3.48Å; D279-G313 WeakPolarHBondContact OD1-CA 3.49Å; D279-G313 PolarHBondContact OD1-N 2.93Å; D279-P314 WeakPolarHBondContact OD2-CD 3.03Å; D279-L315 PolarHBondContact OD1-N 3.08Å; D279-L315 VanDerWaalsContact OD2-CB 3.31Å; D279-L315 WeakPolarHBondContact OD2-CB 3.4Å; D279-L315 WeakPolarHBondContact OD2-CG 3.27Å; D279-L315 PolarHBondContact OD2-N 3.44Å; D279-A316 WeakPolarHBondContact OD1-CB 3.34Å; D279-A316 PolarHBondContact OD1-N 3.5Å
280S97Very high96.4Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-75.4-32.3175.653.90000114.3V42 F76 Q108 S278 A283 A284V42-S280 WeakPolarHBondContact CG2-OG 2.96Å; F76-S280 WeakPolarHBondContact CE1-OG 3.03Å; F76-S280 WeakPolarHBondContact CZ-O 3.18Å; Q108-S280 PolarHBondContact OE1-OG 3.43Å; S278-S280 PolarHBondContact O-N 2.84Å; S278-S280 VanDerWaalsContact O-N 3.12Å; S278-S280 PolarHBondContact OG-OG 3.31Å; S280-A283 PolarHBondContact O-N 2.98Å; S280-A284 WeakPolarHBondContact O-CB 3.44Å; S280-A284 PolarHBondContact O-N 2.71Å
281V97.8Very high96.3Very high0 Ų022.7 Ų22.70%013%0.127CC..Hα-helixtrans-64.4-47.4172170.90000109.4F76 I223 M272 V277 S278 A283 A284 S285F76-V281 HydrophobicContact CE1-CG2 4.3Å; F76-V281 HydrophobicContact CZ-CG2 4.27Å; I223-V281 HydrophobicContact CG2-CB 4.37Å; I223-V281 HydrophobicContact CG2-CG1 4Å; I223-V281 HydrophobicContact CG2-CG2 4.11Å; M272-V281 HydrophobicContact CB-CG1 3.7Å; M272-V281 HydrophobicContact CE-CG1 4.22Å; V277-V281 HydrophobicContact CG1-CG1 4.36Å; S278-V281 WeakPolarHBondContact O-CB 3.27Å; S278-V281 PolarHBondContact O-N 3.36Å; V281-A283 PolarHBondContact O-N 3.33Å; V281-A284 PolarHBondContact O-N 3.38Å; V281-S285 PolarHBondContact O-N 3.3Å; V281-S285 PolarHBondContact O-OG 2.87Å
282E98.1Very high96.4Very high0 Ų023.9 Ų23.90%013%0.134CC..Hα-helixtrans-59.9-45.3173.4-63.3172-172.600111.4R113 M272 V277 S278 A284 S285 L286 W300 A316 Y354R113-E282 IonicContact CZ-OE1 3.24Å; R113-E282 VanDerWaalsContact CZ-OE1 3.3Å; R113-E282 IonicContact NE-OE1 2.82Å; R113-E282 PolarHBondContact NE-OE1 3.11Å; R113-E282 IonicContact NH2-OE1 3.48Å; R113-E282 PolarHBondContact NH2-OE1 3.24Å; R113-E282 VanDerWaalsContact NH2-OE1 3.1Å; M272-E282 HydrophobicContact CE-CG 4.4Å; V277-E282 HydrophobicContact CG1-CG 3.76Å; S278-E282 PolarHBondContact O-N 3Å; E282-A284 VanDerWaalsContact C-N 3.34Å; E282-A284 PolarHBondContact O-N 3.41Å; E282-S285 PolarHBondContact O-N 3.35Å; E282-S285 PolarHBondContact O-OG 2.8Å; E282-L286 VanDerWaalsContact O-CB 3.29Å; E282-L286 WeakPolarHBondContact O-CB 3.45Å; E282-L286 WeakPolarHBondContact O-CD1 3.44Å; E282-L286 WeakPolarHBondContact O-CG 3.36Å; E282-L286 PolarHBondContact O-N 3.33Å; E282-W300 HydrophobicContact CG-CH2 3.88Å; E282-W300 HydrophobicContact CG-CZ3 4.41Å; E282-A316 HydrophobicContact CB-CB 3.93Å; E282-Y354 PolarHBondContact OE1-OH 2.68Å; E282-Y354 PolarHBondContact OE2-OH 3.49Å
283A98.2Very high96.5Very high0 Ų023.9 Ų23.90%013%0.134CC..Hα-helixtrans-65.1-38.3179.300000112.6F69 L70 D279 S280 V281 S287 L315 A319F69-A283 HydrophobicContact CD2-CB 4.11Å; F69-A283 HydrophobicContact CE2-CB 3.94Å; L70-A283 HydrophobicContact CD2-CB 4.23Å; L70-A283 HydrophobicContact CG-CB 4.48Å; D279-A283 VanDerWaalsContact O-CB 3.23Å; D279-A283 WeakPolarHBondContact O-CB 3.44Å; D279-A283 PolarHBondContact O-N 2.57Å; S280-A283 PolarHBondContact O-N 2.98Å; V281-A283 PolarHBondContact O-N 3.33Å; A283-S287 VanDerWaalsContact O-CB 3.22Å; A283-S287 WeakPolarHBondContact O-CB 3.48Å; A283-S287 PolarHBondContact O-N 3.01Å; A283-S287 VanDerWaalsContact O-N 3.12Å; A283-S287 PolarHBondContact O-OG 2.96Å; A283-L315 VanDerWaalsContact CB-C 3.49Å; A283-L315 HydrophobicContact CB-CB 3.5Å; A283-L315 VanDerWaalsContact CB-CB 3.5Å; A283-A319 HydrophobicContact CB-CB 4.33Å
284A98Very high96.7Very high11 Ų1123.9 Ų23.99%0.09113%0.134CC..Hα-helixtrans-66.9-43.6177.200000111.4F69 F76 I223 S280 V281 E282 S287 L288F69-A284 HydrophobicContact CB-CB 3.88Å; F69-A284 HydrophobicContact CD1-CB 4.3Å; F69-A284 HydrophobicContact CD2-CB 4.02Å; F69-A284 HydrophobicContact CG-CB 3.84Å; F76-A284 HydrophobicContact CE2-CB 3.88Å; F76-A284 HydrophobicContact CZ-CB 4.18Å; I223-A284 HydrophobicContact CD1-CB 3.82Å; S280-A284 WeakPolarHBondContact O-CB 3.44Å; S280-A284 PolarHBondContact O-N 2.71Å; V281-A284 PolarHBondContact O-N 3.38Å; E282-A284 VanDerWaalsContact C-N 3.34Å; E282-A284 PolarHBondContact O-N 3.41Å; A284-S287 PolarHBondContact O-N 3.49Å; A284-S287 PolarHBondContact O-OG 3.09Å; A284-L288 PolarHBondContact O-N 3.03Å; A284-L288 VanDerWaalsContact O-N 3.11Å
285S98.3Very high97.1Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-64.3-47.5176.868.70000112M272 V281 E282 S287 L288M272-S285 PolarHBondContact SD-OG 3.18Å; V281-S285 PolarHBondContact O-N 3.3Å; V281-S285 PolarHBondContact O-OG 2.87Å; E282-S285 PolarHBondContact O-N 3.35Å; E282-S285 PolarHBondContact O-OG 2.8Å; S285-S287 PolarHBondContact O-N 2.91Å; S285-L288 PolarHBondContact O-N 3.12Å
286L98.5Very high97.4Very high0 Ų021.3 Ų21.30%011%0.112CC..Hα-helixtrans-67.7-14.6178.2-68.7167.8000114.3L200 E282 A316 A319 F320 F335 W337L200-L286 HydrophobicContact CD1-CD2 3.76Å; L200-L286 HydrophobicContact CD1-CG 4.3Å; E282-L286 VanDerWaalsContact O-CB 3.29Å; E282-L286 WeakPolarHBondContact O-CB 3.45Å; E282-L286 WeakPolarHBondContact O-CD1 3.44Å; E282-L286 WeakPolarHBondContact O-CG 3.36Å; E282-L286 PolarHBondContact O-N 3.33Å; L286-A316 HydrophobicContact CD1-CB 4.06Å; L286-A319 HydrophobicContact CB-CB 3.6Å; L286-A319 HydrophobicContact CD1-CB 4.38Å; L286-F320 HydrophobicContact CD1-CD2 4.05Å; L286-F320 HydrophobicContact CD1-CE1 4.3Å; L286-F320 HydrophobicContact CD1-CE2 3.68Å; L286-F320 HydrophobicContact CD1-CZ 3.82Å; L286-F320 HydrophobicContact CD2-CD1 4.32Å; L286-F320 HydrophobicContact CD2-CE1 3.71Å; L286-F320 HydrophobicContact CD2-CZ 3.83Å; L286-F335 HydrophobicContact CD2-CD1 3.88Å; L286-F335 HydrophobicContact CD2-CE1 3.77Å; L286-W337 HydrophobicContact CD2-CH2 4.18Å; L286-W337 HydrophobicContact CD2-CZ3 3.92Å
287S98Very high97.7Very high10 Ų1017.9 Ų17.97%0.079%0.09CC..Hα-helixtrans-110.7-2.9-179.361.20000115.2L70 A283 A284 S285 N289L70-S287 PolarHBondContact N-OG 3.44Å; A283-S287 VanDerWaalsContact O-CB 3.22Å; A283-S287 WeakPolarHBondContact O-CB 3.48Å; A283-S287 PolarHBondContact O-N 3.01Å; A283-S287 VanDerWaalsContact O-N 3.12Å; A283-S287 PolarHBondContact O-OG 2.96Å; A284-S287 PolarHBondContact O-N 3.49Å; A284-S287 PolarHBondContact O-OG 3.09Å; S285-S287 PolarHBondContact O-N 2.91Å; S287-N289 PolarHBondContact O-N 2.87Å
288L97.9Very high97.9Very high27 Ų2717.5 Ų17.514%0.1419%0.088CC..THydrogen-bonded Turntrans-54.1121.9178.8178.466000110.4T221 V270 A284 S285 R290 I293 Y296T221-L288 HydrophobicContact CG2-CD1 4.01Å; T221-L288 HydrophobicContact CG2-CD2 3.81Å; T221-L288 HydrophobicContact CG2-CG 4.48Å; V270-L288 HydrophobicContact CG2-CD2 3.53Å; A284-L288 PolarHBondContact O-N 3.03Å; A284-L288 VanDerWaalsContact O-N 3.11Å; S285-L288 PolarHBondContact O-N 3.12Å; L288-R290 PolarHBondContact O-N 2.87Å; L288-I293 HydrophobicContact CB-CD1 4.2Å; L288-I293 HydrophobicContact CD2-CD1 3.89Å; L288-I293 HydrophobicContact CG-CD1 3.88Å; L288-I293 VanDerWaalsContact O-CD1 3.27Å; L288-I293 WeakPolarHBondContact O-CD1 3.39Å; L288-Y296 PolarHBondContact O-OH 2.57Å
289N97.4Very high98Very high76 Ų7617.6 Ų17.641%0.4069%0.089SC..THydrogen-bonded Turntrans39.944.9168.9-65.8-19.9000115.9L218 S287 H291 H292 I293L218-N289 WeakPolarHBondContact O-CB 3.3Å; L218-N289 PolarHBondContact O-ND2 3.48Å; S287-N289 PolarHBondContact O-N 2.87Å; N289-H291 PolarHBondContact O-N 2.86Å; N289-H292 HydrophobicContact CB-CB 4.25Å; N289-H292 WeakPolarHBondContact O-CA 3.34Å; N289-H292 WeakPolarHBondContact O-CB 3.34Å; N289-H292 PolarHBondContact O-N 2.84Å; N289-I293 HydrophobicContact CB-CD1 4.36Å; N289-I293 HydrophobicContact CB-CG1 4.38Å; N289-I293 PolarHBondContact O-N 2.72Å
290R97Very high98.1Very high20 Ų2017.1 Ų17.18%0.0759%0.086CC..THydrogen-bonded Turntrans-54-17-175.271.4-178.674.8-126.213.3117.2L70 L288 Y296 A319 G327 R328L70-R290 PolarHBondContact O-NH2 3.21Å; L288-R290 PolarHBondContact O-N 2.87Å; R290-Y296 WeakPolarHBondContact CA-OH 3.48Å; R290-Y296 PolarHBondContact N-OH 3.29Å; R290-A319 PolarHBondContact NH1-O 3.05Å; R290-G327 CarbonylContact O-C 3.58Å; R290-G327 WeakPolarHBondContact O-CA 3.46Å; R290-R328 PolarHBondContact O-N 2.83Å
291H96.9Very high98.1Very high132 Ų13217.1 Ų17.161%0.6119%0.086SC*.THydrogen-bonded Turntrans-90.1-15176.1-62.7-56.8000113.2N289 A326N289-H291 PolarHBondContact O-N 2.86Å; H291-A326 PolarHBondContact CE1-O 2.69Å; H291-A326 PolarHBondContact ND1-O 2.77Å; H291-A326 VanDerWaalsContact ND1-O 3.13Å
292H98.2Very high97.9Very high56 Ų5617.3 Ų17.326%0.2599%0.088SC..THydrogen-bonded Turntrans-102.4-46.4177.7177.381.3000111.5S196 D216 L218 N289S196-H292 WeakPolarHBondContact CB-O 3.3Å; S196-H292 PolarHBondContact OG-NE2 3.04Å; D216-H292 IonicContact OD1-CE1 3.29Å; D216-H292 IonicContact OD1-NE2 3.48Å; D216-H292 PolarHBondContact OD1-NE2 2.9Å; D216-H292 IonicContact OD2-CD2 3.21Å; D216-H292 IonicContact OD2-CE1 2.72Å; D216-H292 IonicContact OD2-NE2 2.96Å; D216-H292 PolarHBondContact OD2-NE2 3.37Å; L218-H292 WeakPolarHBondContact CB-NE2 3.5Å; N289-H292 HydrophobicContact CB-CB 4.25Å; N289-H292 WeakPolarHBondContact O-CA 3.34Å; N289-H292 WeakPolarHBondContact O-CB 3.34Å; N289-H292 PolarHBondContact O-N 2.84Å
293I98.8Very high97.7Very high0 Ų020.4 Ų20.40%010%0.102CC..  trans-76.8125.5179.9-54.9175.1000109.6A219 L288 N289 I295 Y296A219-I293 HydrophobicContact CB-CD1 4.12Å; A219-I293 HydrophobicContact CB-CG1 3.88Å; L288-I293 HydrophobicContact CB-CD1 4.2Å; L288-I293 HydrophobicContact CD2-CD1 3.89Å; L288-I293 HydrophobicContact CG-CD1 3.88Å; L288-I293 VanDerWaalsContact O-CD1 3.27Å; L288-I293 WeakPolarHBondContact O-CD1 3.39Å; N289-I293 HydrophobicContact CB-CD1 4.36Å; N289-I293 HydrophobicContact CB-CG1 4.38Å; N289-I293 PolarHBondContact O-N 2.72Å; I293-I295 WeakPolarHBondContact CG2-O 3.43Å; I293-Y296 HydrophobicContact CB-CE1 4.21Å; I293-Y296 HydrophobicContact CB-CE2 4.05Å; I293-Y296 HydrophobicContact CD1-CE1 3.8Å; I293-Y296 HydrophobicContact CG2-CD1 4.14Å; I293-Y296 HydrophobicContact CG2-CD2 4.06Å; I293-Y296 HydrophobicContact CG2-CE1 3.87Å; I293-Y296 HydrophobicContact CG2-CE2 3.74Å; I293-Y296 HydrophobicContact CG2-CG 4.26Å
294D98.9Very high97.5Very high22 Ų2221.4 Ų21.412%0.11811%0.107CC..  trans-86.6-46.3178-65.9-71.9000111.9I195 S196 R328 I334 L428I195-D294 WeakPolarHBondContact CA-OD2 3.4Å; I195-D294 HydrophobicContact CG2-CB 3.88Å; S196-D294 PolarHBondContact N-OD2 2.82Å; S196-D294 WeakPolarHBondContact O-CA 3.15Å; S196-D294 WeakPolarHBondContact O-CB 3.49Å; S196-D294 PolarHBondContact O-N 2.96Å; D294-R328 HydrophobicContact CB-CG 4.49Å; D294-R328 WeakPolarHBondContact O-CD 3.44Å; D294-R328 IonicContact OD1-CZ 3.98Å; D294-R328 IonicContact OD1-NE 2.92Å; D294-R328 PolarHBondContact OD1-NE 2.97Å; D294-R328 IonicContact OD1-NH2 3.19Å; D294-I334 PolarHBondContact O-N 3.43Å; D294-L428 HydrophobicContact CB-CD1 3.89Å
295I99Very high97.3Very high0 Ų022.2 Ų22.20%011%0.11CC..EExtended strand (participates in β ladder)trans-125.7128-172.1-51.7170.6000109.4I195 S196 V197 S198 I293 I334 V336 A421 I424 A425 L428I195-I295 HydrophobicContact CG2-CD1 4.08Å; I195-I295 HydrophobicContact CG2-CG1 4.5Å; S196-I295 PolarHBondContact O-N 2.76Å; S196-I295 VanDerWaalsContact O-N 3.11Å; V197-I295 CarbonylContact C-O 3.59Å; V197-I295 WeakPolarHBondContact CA-O 3.31Å; V197-I295 HydrophobicContact CG1-CB 4.24Å; V197-I295 HydrophobicContact CG1-CG2 4.39Å; V197-I295 HydrophobicContact CG2-CB 4.21Å; V197-I295 HydrophobicContact CG2-CD1 4.07Å; S198-I295 PolarHBondContact N-O 3.15Å; I293-I295 WeakPolarHBondContact CG2-O 3.43Å; I295-I334 CarbonylContact C-O 3.57Å; I295-I334 WeakPolarHBondContact CA-O 3.23Å; I295-I334 HydrophobicContact CG1-CB 4.34Å; I295-V336 HydrophobicContact CG2-CG2 3.87Å; I295-A421 WeakPolarHBondContact CD1-O 3.23Å; I295-A421 HydrophobicContact CG2-CB 3.98Å; I295-I424 HydrophobicContact CD1-CB 4.02Å; I295-I424 HydrophobicContact CD1-CG2 3.5Å; I295-I424 HydrophobicContact CG1-CG2 4.07Å; I295-A425 HydrophobicContact CD1-CB 3.88Å; I295-L428 HydrophobicContact CD1-CD1 4.02Å; I295-L428 HydrophobicContact CG1-CD1 3.91Å
296Y98.9Very high97.1Very high1 Ų122.2 Ų22.20%0.00411%0.11CC..EExtended strand (participates in β ladder)trans-106.6121.8169.2-62-97.5000107.8S198 L200 L288 R290 I293 I334 F335 V336S198-Y296 WeakPolarHBondContact O-CA 3.41Å; L200-Y296 HydrophobicContact CD1-CD1 4.12Å; L200-Y296 HydrophobicContact CD2-CD1 4.09Å; L200-Y296 HydrophobicContact CG-CD1 4.36Å; L288-Y296 PolarHBondContact O-OH 2.57Å; R290-Y296 WeakPolarHBondContact CA-OH 3.48Å; R290-Y296 PolarHBondContact N-OH 3.29Å; I293-Y296 HydrophobicContact CB-CE1 4.21Å; I293-Y296 HydrophobicContact CB-CE2 4.05Å; I293-Y296 HydrophobicContact CD1-CE1 3.8Å; I293-Y296 HydrophobicContact CG2-CD1 4.14Å; I293-Y296 HydrophobicContact CG2-CD2 4.06Å; I293-Y296 HydrophobicContact CG2-CE1 3.87Å; I293-Y296 HydrophobicContact CG2-CE2 3.74Å; I293-Y296 HydrophobicContact CG2-CG 4.26Å; Y296-I334 PolarHBondContact N-O 3.24Å; Y296-F335 HydrophobicContact CD2-CD1 4.03Å; Y296-F335 AromaticContact CD2-CE1 3.66Å; Y296-F335 HydrophobicContact CD2-CE1 3.66Å; Y296-F335 HydrophobicContact CD2-CZ 4.29Å; Y296-F335 HydrophobicContact CE2-CE1 4.26Å; Y296-F335 HydrophobicContact CG-CD1 4.04Å; Y296-F335 AromaticContact CG-CE1 3.84Å; Y296-F335 HydrophobicContact CG-CE1 3.84Å; Y296-F335 WeakPolarHBondContact O-CA 3.35Å; Y296-V336 PolarHBondContact O-N 3.42Å
297S98.9Very high96.9Very high1 Ų128.4 Ų28.41%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-109.5125.1177.6-170.10000109.5S198 L200S198-S297 PolarHBondContact O-N 3.07Å; L200-S297 PolarHBondContact N-O 2.93Å
298A98.7Very high96.7Very high1 Ų129 Ų291%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-126.1124.1178.200000110.6L200 W300 V336 W337 A338L200-A298 HydrophobicContact CB-CB 4.4Å; A298-W300 HydrophobicContact CB-CZ2 4.47Å; A298-V336 PolarHBondContact N-O 3.47Å; A298-W337 HydrophobicContact CB-CD2 3.72Å; A298-W337 HydrophobicContact CB-CE3 3.65Å; A298-W337 HydrophobicContact CB-CG 4.5Å; A298-W337 HydrophobicContact CB-CH2 3.57Å; A298-W337 HydrophobicContact CB-CZ2 3.63Å; A298-W337 HydrophobicContact CB-CZ3 3.56Å; A298-W337 WeakPolarHBondContact O-CA 3.1Å; A298-A338 PolarHBondContact O-N 3.23Å
299S98Very high96.6Very high2 Ų227.8 Ų27.81%0.01413%0.13CC..  trans-112.941.6-177.8-69.30000110.9K115 R116 S414K115-S299 CarbonylContact C-O 3.48Å; R116-S299 WeakPolarHBondContact CG-O 3.46Å; R116-S299 PolarHBondContact N-O 2.87Å; S299-S414 WeakPolarHBondContact CB-OG 3.31Å; S299-S414 PolarHBondContact O-OG 3.24Å; S299-S414 PolarHBondContact OG-O 3.44Å
300W97.1Very high96.4Very high0 Ų024.3 Ų24.30%011%0.112CC..EExtended strand (participates in β ladder)trans-146.9163.7-178.354.6-94.3000111.7R113 R114 L200 M272 L273 E282 A298 W337 Y354R113-W300 HydrophobicContact CB-CE3 4.16Å; R113-W300 HydrophobicContact CG-CE3 4.07Å; R113-W300 HydrophobicContact CG-CZ3 4.15Å; R114-W300 CarbonylContact O-C 3.48Å; R114-W300 WeakPolarHBondContact O-CA 3.24Å; R114-W300 VanDerWaalsContact O-CB 3.27Å; R114-W300 WeakPolarHBondContact O-CB 3.44Å; L200-W300 PolarHBondContact O-NE1 2.91Å; M272-W300 HydrophobicContact CE-CH2 4.2Å; M272-W300 HydrophobicContact CE-CZ2 3.77Å; M272-W300 HydrophobicContact SD-CZ2 3.82Å; L273-W300 HydrophobicContact CD1-CB 3.9Å; L273-W300 HydrophobicContact CD1-CG 3.82Å; L273-W300 HydrophobicContact CD2-CB 4.5Å; L273-W300 HydrophobicContact CD2-CD2 4.32Å; L273-W300 HydrophobicContact CD2-CG 4.12Å; L273-W300 HydrophobicContact CG-CG 4.47Å; E282-W300 HydrophobicContact CG-CH2 3.88Å; E282-W300 HydrophobicContact CG-CZ3 4.41Å; A298-W300 HydrophobicContact CB-CZ2 4.47Å; W300-W337 HydrophobicContact CD2-CZ2 4.19Å; W300-W337 HydrophobicContact CE3-CZ2 4.05Å; W300-W337 AromaticContact CH2-CH2 3.75Å; W300-W337 HydrophobicContact CH2-CH2 3.75Å; W300-W337 AromaticContact CH2-CZ2 3.6Å; W300-W337 HydrophobicContact CH2-CZ2 3.6Å; W300-W337 AromaticContact CZ2-CH2 3.74Å; W300-W337 HydrophobicContact CZ2-CH2 3.74Å; W300-W337 AromaticContact CZ2-CZ2 3.75Å; W300-W337 HydrophobicContact CZ2-CZ2 3.75Å; W300-W337 HydrophobicContact CZ3-CH2 4.37Å; W300-W337 AromaticContact CZ3-CZ2 3.76Å; W300-W337 HydrophobicContact CZ3-CZ2 3.76Å; W300-W337 PolarHBondContact O-NE1 3.17Å; W300-Y354 HydrophobicContact CH2-CE1 4.05Å; W300-Y354 AromaticContact CZ3-CE1 3.96Å; W300-Y354 HydrophobicContact CZ3-CE1 3.96Å; W300-Y354 AromaticContact CZ3-CE2 3.99Å; W300-Y354 HydrophobicContact CZ3-CE2 3.99Å; W300-Y354 AromaticContact CZ3-CZ 3.66Å
301G96.7Very high96.3Very high0 Ų023.4 Ų23.40%011%0.108CC..EExtended strand (participates in β ladder)trans-166.2-161.817600000112.4R113 R114R113-G301 CarbonylContact C-O 3.55Å; R113-G301 VanDerWaalsContact CA-O 3.23Å; R113-G301 WeakPolarHBondContact CA-O 3.47Å; R114-G301 PolarHBondContact N-O 3.33Å; R114-G301 PolarHBondContact O-N 2.93Å
302P94.9Very high96.3Very high5 Ų517.5 Ų17.53%0.0328%0.081CC..SBendtrans-55.5-177.7167.3-2638.6000113.9T308 D310 D352 Y354P302-T308 HydrophobicContact CB-CG2 4.15Å; P302-D310 HydrophobicContact CB-CB 3.92Å; P302-D310 HydrophobicContact CG-CB 3.86Å; P302-D310 VanDerWaalsContact CG-O 3.28Å; P302-D310 WeakPolarHBondContact CG-O 3.42Å; P302-D352 VanDerWaalsContact CD-CG 3.47Å; P302-D352 WeakPolarHBondContact CD-OD2 3.17Å; P302-D352 HydrophobicContact CG-CB 4.4Å; P302-Y354 HydrophobicContact CG-CE2 4.39Å
303E93.3Very high96.1Very high64 Ų6414.8 Ų14.830%0.2997%0.069SC..  trans-74.6131.2176.9-63-166.398.500112.8V112 R114 D305V112-E303 HydrophobicContact CB-CG 4.07Å; V112-E303 HydrophobicContact CG1-CG 3.57Å; R114-E303 HydrophobicContact CG-CG 4.21Å; R114-E303 IonicContact CZ-OE1 3.47Å; R114-E303 IonicContact NE-OE1 2.81Å; R114-E303 PolarHBondContact NE-OE1 3.49Å; R114-E303 IonicContact NH2-OE1 3.98Å; R114-E303 PolarHBondContact NH2-OE1 2.7Å; E303-D305 PolarHBondContact O-N 3.1Å
304D93.6Very high95.8Very high22 Ų2218.1 Ų18.112%0.1189%0.09CC..  trans-85.556.2-179.2-69.78.9000110.7R116 N341 G342 R345 D347R116-D304 IonicContact CZ-OD1 2.66Å; R116-D304 VanDerWaalsContact CZ-OD1 3.27Å; R116-D304 IonicContact CZ-OD2 3.77Å; R116-D304 IonicContact NH1-OD1 2.78Å; R116-D304 PolarHBondContact NH1-OD1 2.93Å; R116-D304 IonicContact NH1-OD2 3.66Å; R116-D304 PolarHBondContact NH1-OD2 2.81Å; R116-D304 IonicContact NH2-OD1 3.64Å; D304-N341 WeakPolarHBondContact OD2-CA 3.48Å; D304-N341 WeakPolarHBondContact OD2-CB 3.4Å; D304-N341 PolarHBondContact OD2-N 2.99Å; D304-G342 PolarHBondContact OD2-N 2.99Å; D304-R345 VanDerWaalsContact O-CD 3.26Å; D304-R345 WeakPolarHBondContact O-CD 3.4Å; D304-R345 PolarHBondContact O-NH1 3.42Å; D304-D347 WeakPolarHBondContact CA-OD2 3.12Å
305D94.1Very high95.7Very high28 Ų2817.9 Ų17.915%0.159%0.089CC..SBendtrans-106.2-2.8-17176.9-20.1000114.3E303 R307 T308 D347E303-D305 PolarHBondContact O-N 3.1Å; D305-R307 HydrophobicContact CB-CG 4.42Å; D305-R307 WeakPolarHBondContact O-CG 3.46Å; D305-R307 WeakPolarHBondContact OD1-CA 3.5Å; D305-R307 WeakPolarHBondContact OD1-CB 3.4Å; D305-R307 PolarHBondContact OD1-N 2.81Å; D305-R307 WeakPolarHBondContact OD2-CB 3.47Å; D305-R307 WeakPolarHBondContact OD2-CD 3.41Å; D305-R307 WeakPolarHBondContact OD2-CG 3.19Å; D305-T308 PolarHBondContact OD1-N 2.86Å; D305-T308 PolarHBondContact OD1-OG1 3.28Å; D305-T308 PolarHBondContact OD2-OG1 3.35Å; D305-D347 PolarHBondContact N-OD2 3.47Å
306G95.1Very high95.6Very high0 Ų017.9 Ų17.90%09%0.089CC..SBendtrans72.616.7-173.900000112.8D347 D573G306-D347 VanDerWaalsContact CA-CG 3.45Å; G306-D347 VanDerWaalsContact N-CG 3.34Å; G306-D347 PolarHBondContact N-OD2 2.91Å; G306-D573 WeakPolarHBondContact O-CB 3.41Å; G306-D573 PolarHBondContact O-N 3.16Å
307R94.2Very high95.5Very high130 Ų13020.1 Ų20.149%0.49110%0.098SC..SBendtrans-130.7-47.1-176.1-40.2-174.4177.9153.4-0.2112.8D305 R549 R570 Q572D305-R307 HydrophobicContact CB-CG 4.42Å; D305-R307 WeakPolarHBondContact O-CG 3.46Å; D305-R307 WeakPolarHBondContact OD1-CA 3.5Å; D305-R307 WeakPolarHBondContact OD1-CB 3.4Å; D305-R307 PolarHBondContact OD1-N 2.81Å; D305-R307 WeakPolarHBondContact OD2-CB 3.47Å; D305-R307 WeakPolarHBondContact OD2-CD 3.41Å; D305-R307 WeakPolarHBondContact OD2-CG 3.19Å; R307-R549 PolarHBondContact O-NH2 3.47Å; R307-R570 VanDerWaalsContact C-NH1 3.27Å; R307-R570 VanDerWaalsContact N-NH2 3.12Å; R307-R570 PolarHBondContact O-NH1 3.4Å; R307-Q572 WeakPolarHBondContact CD-O 3.21Å; R307-Q572 HydrophobicContact CG-CB 3.97Å; R307-Q572 VanDerWaalsContact CG-O 3.29Å; R307-Q572 WeakPolarHBondContact CG-O 3.36Å; R307-Q572 PolarHBondContact NE-O 2.7Å
308T94.1Very high95.4Very high21 Ų2122.1 Ų22.113%0.12911%0.107CC..  trans-67.2132.6-167.3-57.30000112P302 D305 D310 A351 R570P302-T308 HydrophobicContact CB-CG2 4.15Å; D305-T308 PolarHBondContact OD1-N 2.86Å; D305-T308 PolarHBondContact OD1-OG1 3.28Å; D305-T308 PolarHBondContact OD2-OG1 3.35Å; T308-D310 HydrophobicContact CG2-CB 3.85Å; T308-A351 WeakPolarHBondContact O-CB 3.03Å; T308-R570 PolarHBondContact O-NH2 2.92Å
309F94.1Very high95.4Very high3 Ų322 Ų221%0.01311%0.106CC..  trans-110110.7160.5-89.6-101.6000108.1D24 A351 R549 L567 I579 W582 F584D24-F309 PolarHBondContact N-O 3.14Å; D24-F309 PolarHBondContact OD2-N 3.23Å; F309-A351 HydrophobicContact CD1-CB 3.91Å; F309-A351 HydrophobicContact CD2-CB 3.94Å; F309-A351 HydrophobicContact CE1-CB 3.84Å; F309-A351 HydrophobicContact CE2-CB 3.9Å; F309-A351 HydrophobicContact CG-CB 3.95Å; F309-A351 HydrophobicContact CZ-CB 3.84Å; F309-R549 VanDerWaalsContact CD2-CZ 3.43Å; F309-L567 HydrophobicContact CZ-CD1 3.92Å; F309-L567 HydrophobicContact CZ-CD2 4.08Å; F309-I579 HydrophobicContact CE1-CD1 4.13Å; F309-I579 HydrophobicContact CE2-CD1 4.32Å; F309-I579 HydrophobicContact CZ-CD1 3.72Å; F309-I579 HydrophobicContact CZ-CG1 4.41Å; F309-W582 HydrophobicContact CB-CE3 4.5Å; F309-W582 HydrophobicContact CB-CH2 4.46Å; F309-W582 HydrophobicContact CB-CZ3 4.26Å; F309-W582 AromaticContact CD1-CD2 3.54Å; F309-W582 HydrophobicContact CD1-CD2 3.54Å; F309-W582 AromaticContact CD1-CE2 3.57Å; F309-W582 AromaticContact CD1-CE3 3.89Å; F309-W582 HydrophobicContact CD1-CE3 3.89Å; F309-W582 AromaticContact CD1-CG 3.89Å; F309-W582 HydrophobicContact CD1-CG 3.89Å; F309-W582 HydrophobicContact CD1-CH2 4.3Å; F309-W582 AromaticContact CD1-CZ2 3.98Å; F309-W582 HydrophobicContact CD1-CZ2 3.98Å; F309-W582 HydrophobicContact CD1-CZ3 4.25Å; F309-W582 AromaticContact CD1-NE1 3.88Å; F309-W582 AromaticContact CE1-CD1 3.77Å; F309-W582 HydrophobicContact CE1-CD2 4.04Å; F309-W582 AromaticContact CE1-CE2 3.98Å; F309-W582 AromaticContact CE1-CG 3.92Å; F309-W582 HydrophobicContact CE1-CG 3.92Å; F309-W582 AromaticContact CE1-NE1 3.78Å; F309-F584 HydrophobicContact CE1-CE1 4.07Å; F309-F584 HydrophobicContact CE1-CZ 4.04Å; F309-F584 HydrophobicContact CZ-CE1 4.39Å; F309-F584 HydrophobicContact CZ-CZ 4.36Å
310D94.6Very high95.4Very high3 Ų322 Ų222%0.01611%0.106CC..BIsolated β-bridgetrans-153.5163.8-179.3-165.515000111.7H23 S25 R113 P302 T308 A351 G353 W582H23-D310 WeakPolarHBondContact CB-OD1 3.16Å; H23-D310 IonicContact CD2-OD1 2.8Å; H23-D310 IonicContact CG-OD1 2.78Å; S25-D310 WeakPolarHBondContact CB-OD2 3.35Å; S25-D310 PolarHBondContact OG-OD1 2.92Å; S25-D310 PolarHBondContact OG-OD2 2.75Å; R113-D310 IonicContact CZ-OD2 2.82Å; R113-D310 IonicContact NH1-OD2 3.27Å; R113-D310 PolarHBondContact NH1-OD2 3.04Å; R113-D310 IonicContact NH2-OD2 3.78Å; R113-D310 PolarHBondContact NH2-OD2 3.25Å; P302-D310 HydrophobicContact CB-CB 3.92Å; P302-D310 HydrophobicContact CG-CB 3.86Å; P302-D310 VanDerWaalsContact CG-O 3.28Å; P302-D310 WeakPolarHBondContact CG-O 3.42Å; T308-D310 HydrophobicContact CG2-CB 3.85Å; D310-A351 PolarHBondContact N-O 3.4Å; D310-G353 PolarHBondContact O-N 3.22Å; D310-W582 WeakPolarHBondContact O-CH2 3.39Å
311G95.2Very high95.4Very high0 Ų026.3 Ų26.30%012%0.123CC..  trans-171.8-169.5-171.400000113.8H23 R111 R113 G313H23-G311 PolarHBondContact CD2-N 2.92Å; H23-G311 VanDerWaalsContact CD2-N 3.29Å; R111-G311 PolarHBondContact NH1-O 2.77Å; R113-G311 PolarHBondContact NH2-O 2.68Å; G311-G313 PolarHBondContact O-N 3Å
312P95.6Very high95.4Very high8 Ų830 Ų305%0.05214%0.137CC..  trans-64134-179.525-32.9000110.7A316 R317 F320 G353 Y354P312-A316 HydrophobicContact CB-CB 3.64Å; P312-R317 HydrophobicContact CB-CG 3.85Å; P312-R317 HydrophobicContact CG-CG 3.73Å; P312-R317 PolarHBondContact O-NH1 3.19Å; P312-F320 HydrophobicContact CB-CD2 4.42Å; P312-F320 HydrophobicContact CB-CE2 4.09Å; P312-F320 HydrophobicContact CG-CE2 4.27Å; P312-G353 VanDerWaalsContact CD-C 3.45Å; P312-Y354 HydrophobicContact CB-CD1 4.07Å; P312-Y354 HydrophobicContact CB-CE1 3.63Å; P312-Y354 HydrophobicContact CG-CD1 4.16Å; P312-Y354 HydrophobicContact CG-CE1 4.16Å
313G93.7Very high95.6Very high0 Ų029.8 Ų29.80%014%0.135CC..  trans-72.6-179.4171.500000112.3D279 G311 L315 A316 R317D279-G313 VanDerWaalsContact CG-CA 3.48Å; D279-G313 WeakPolarHBondContact OD1-CA 3.49Å; D279-G313 PolarHBondContact OD1-N 2.93Å; G311-G313 PolarHBondContact O-N 3Å; G313-L315 VanDerWaalsContact C-N 3.3Å; G313-L315 PolarHBondContact O-N 3.12Å; G313-A316 PolarHBondContact O-N 3.49Å; G313-R317 WeakPolarHBondContact O-CB 3.27Å; G313-R317 WeakPolarHBondContact O-CG 3.49Å; G313-R317 PolarHBondContact O-N 3.23Å
314P92.8Very high95.9Very high69 Ų6927 Ų2745%0.44812%0.123SC..Hα-helixtrans-54.7-40.8-177.9-26.335000114.1D279 E318D279-P314 WeakPolarHBondContact OD2-CD 3.03Å; P314-E318 PolarHBondContact O-N 2.86Å
315L96.2Very high96Very high17 Ų1732 Ų329%0.08914%0.143CC..Hα-helixtrans-73.7-42.6-179.6-58.5-177.3000111.5F69 L70 Q108 D279 A283 G313 R317 E318 A319F69-L315 HydrophobicContact CE2-CD1 4.35Å; L70-L315 HydrophobicContact CD1-CB 4.35Å; L70-L315 HydrophobicContact CD1-CD2 3.95Å; Q108-L315 VanDerWaalsContact NE2-CD1 3.26Å; D279-L315 PolarHBondContact OD1-N 3.08Å; D279-L315 VanDerWaalsContact OD2-CB 3.31Å; D279-L315 WeakPolarHBondContact OD2-CB 3.4Å; D279-L315 WeakPolarHBondContact OD2-CG 3.27Å; D279-L315 PolarHBondContact OD2-N 3.44Å; A283-L315 VanDerWaalsContact CB-C 3.49Å; A283-L315 HydrophobicContact CB-CB 3.5Å; A283-L315 VanDerWaalsContact CB-CB 3.5Å; G313-L315 VanDerWaalsContact C-N 3.3Å; G313-L315 PolarHBondContact O-N 3.12Å; L315-R317 VanDerWaalsContact C-N 3.34Å; L315-R317 PolarHBondContact O-N 2.97Å; L315-E318 WeakPolarHBondContact O-CB 3.46Å; L315-E318 PolarHBondContact O-N 2.8Å; L315-A319 PolarHBondContact O-N 3.08Å
316A97.4Very high96.2Very high0 Ų032.6 Ų32.60%015%0.152CC..Hα-helixtrans-62.6-40.9176.200000111.6D279 E282 L286 P312 G313 E318 A319 F320D279-A316 WeakPolarHBondContact OD1-CB 3.34Å; D279-A316 PolarHBondContact OD1-N 3.5Å; E282-A316 HydrophobicContact CB-CB 3.93Å; L286-A316 HydrophobicContact CD1-CB 4.06Å; P312-A316 HydrophobicContact CB-CB 3.64Å; G313-A316 PolarHBondContact O-N 3.49Å; A316-E318 VanDerWaalsContact C-N 3.34Å; A316-E318 PolarHBondContact O-N 3.35Å; A316-A319 WeakPolarHBondContact O-CB 3.12Å; A316-A319 PolarHBondContact O-N 2.93Å; A316-A319 VanDerWaalsContact O-N 3.12Å; A316-F320 VanDerWaalsContact O-CD2 3.27Å; A316-F320 WeakPolarHBondContact O-CD2 3.49Å; A316-F320 PolarHBondContact O-N 3.17Å
317R96.4Very high96.3Very high49 Ų4932.6 Ų32.619%0.18515%0.152CC..Hα-helixtrans-61.3-40.6172.7-72.7-171.3-58.9-111.813.7112.5H23 P312 G313 L315 A319 Y321H23-R317 PolarHBondContact CE1-NH1 2.97Å; P312-R317 HydrophobicContact CB-CG 3.85Å; P312-R317 HydrophobicContact CG-CG 3.73Å; P312-R317 PolarHBondContact O-NH1 3.19Å; G313-R317 WeakPolarHBondContact O-CB 3.27Å; G313-R317 WeakPolarHBondContact O-CG 3.49Å; G313-R317 PolarHBondContact O-N 3.23Å; L315-R317 VanDerWaalsContact C-N 3.34Å; L315-R317 PolarHBondContact O-N 2.97Å; R317-A319 VanDerWaalsContact C-N 3.33Å; R317-Y321 WeakPolarHBondContact O-CB 3.05Å; R317-Y321 PolarHBondContact O-N 2.9Å
318E96.8Very high96.5Very high42 Ų4227.1 Ų27.120%0.19613%0.131CC..Hα-helixtrans-63.1-40.6173.1-175.6-179.3170.900111.4R44 L70 P314 L315 A316 Y321 R322R44-E318 IonicContact CZ-OE1 2.71Å; R44-E318 IonicContact CZ-OE2 2.67Å; R44-E318 IonicContact NH1-OE1 3.3Å; R44-E318 IonicContact NH1-OE2 3.9Å; R44-E318 PolarHBondContact NH1-OE2 2.8Å; R44-E318 IonicContact NH2-OE1 3.63Å; R44-E318 PolarHBondContact NH2-OE1 3.3Å; R44-E318 IonicContact NH2-OE2 3.79Å; R44-E318 PolarHBondContact NH2-OE2 3.19Å; L70-E318 HydrophobicContact CD2-CB 4.35Å; L70-E318 HydrophobicContact CD2-CG 4.28Å; P314-E318 PolarHBondContact O-N 2.86Å; L315-E318 WeakPolarHBondContact O-CB 3.46Å; L315-E318 PolarHBondContact O-N 2.8Å; A316-E318 VanDerWaalsContact C-N 3.34Å; A316-E318 PolarHBondContact O-N 3.35Å; E318-Y321 PolarHBondContact O-N 2.99Å; E318-R322 HydrophobicContact CG-CG 4.32Å; E318-R322 WeakPolarHBondContact O-CB 3.4Å; E318-R322 WeakPolarHBondContact O-CG 3.44Å; E318-R322 PolarHBondContact O-N 2.85Å; E318-R322 IonicContact OE1-CZ 3.43Å; E318-R322 IonicContact OE1-NE 3.02Å; E318-R322 PolarHBondContact OE1-NE 3.49Å; E318-R322 IonicContact OE1-NH2 2.69Å; E318-R322 PolarHBondContact OE1-NH2 2.78Å
319A98.4Very high96.6Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-59.9-48.5178.100000111.5L70 A283 L286 R290 L315 A316 R317 R322 G323L70-A319 HydrophobicContact CD2-CB 3.65Å; A283-A319 HydrophobicContact CB-CB 4.33Å; L286-A319 HydrophobicContact CB-CB 3.6Å; L286-A319 HydrophobicContact CD1-CB 4.38Å; R290-A319 PolarHBondContact NH1-O 3.05Å; L315-A319 PolarHBondContact O-N 3.08Å; A316-A319 WeakPolarHBondContact O-CB 3.12Å; A316-A319 PolarHBondContact O-N 2.93Å; A316-A319 VanDerWaalsContact O-N 3.12Å; R317-A319 VanDerWaalsContact C-N 3.33Å; A319-R322 PolarHBondContact O-N 2.68Å; A319-G323 PolarHBondContact O-N 3.34Å
320F98.5Very high96.8Very high1 Ų131.5 Ų31.50%0.00418%0.181CC..Hα-helixtrans-56.1-54.2173-78.9-62.5000111.9L286 P312 A316 R322 G323 V324 F335 W337 Y354 Y359 T360L286-F320 HydrophobicContact CD1-CD2 4.05Å; L286-F320 HydrophobicContact CD1-CE1 4.3Å; L286-F320 HydrophobicContact CD1-CE2 3.68Å; L286-F320 HydrophobicContact CD1-CZ 3.82Å; L286-F320 HydrophobicContact CD2-CD1 4.32Å; L286-F320 HydrophobicContact CD2-CE1 3.71Å; L286-F320 HydrophobicContact CD2-CZ 3.83Å; P312-F320 HydrophobicContact CB-CD2 4.42Å; P312-F320 HydrophobicContact CB-CE2 4.09Å; P312-F320 HydrophobicContact CG-CE2 4.27Å; A316-F320 VanDerWaalsContact O-CD2 3.27Å; A316-F320 WeakPolarHBondContact O-CD2 3.49Å; A316-F320 PolarHBondContact O-N 3.17Å; F320-R322 VanDerWaalsContact C-N 3.3Å; F320-R322 PolarHBondContact O-N 3.37Å; F320-G323 WeakPolarHBondContact O-CA 3.16Å; F320-G323 PolarHBondContact O-N 2.88Å; F320-V324 WeakPolarHBondContact O-CG2 3.3Å; F320-V324 PolarHBondContact O-N 2.94Å; F320-F335 HydrophobicContact CD1-CB 4.46Å; F320-F335 AromaticContact CD1-CD1 3.92Å; F320-F335 HydrophobicContact CD1-CD1 3.92Å; F320-F335 AromaticContact CD1-CD2 3.74Å; F320-F335 HydrophobicContact CD1-CD2 3.74Å; F320-F335 HydrophobicContact CD1-CE1 4.06Å; F320-F335 AromaticContact CD1-CE2 3.86Å; F320-F335 HydrophobicContact CD1-CE2 3.86Å; F320-F335 AromaticContact CD1-CG 3.77Å; F320-F335 HydrophobicContact CD1-CG 3.77Å; F320-F335 HydrophobicContact CD1-CZ 4.02Å; F320-F335 HydrophobicContact CE1-CB 4.04Å; F320-F335 AromaticContact CE1-CD1 3.72Å; F320-F335 HydrophobicContact CE1-CD1 3.72Å; F320-F335 HydrophobicContact CE1-CD2 4.16Å; F320-F335 HydrophobicContact CE1-CE1 4.21Å; F320-F335 AromaticContact CE1-CG 3.7Å; F320-F335 HydrophobicContact CE1-CG 3.7Å; F320-W337 HydrophobicContact CE1-CE3 4.32Å; F320-W337 AromaticContact CE1-CZ3 3.8Å; F320-W337 HydrophobicContact CE1-CZ3 3.8Å; F320-W337 HydrophobicContact CZ-CE3 4.09Å; F320-W337 AromaticContact CZ-CH2 3.85Å; F320-W337 HydrophobicContact CZ-CH2 3.85Å; F320-W337 AromaticContact CZ-CZ3 3.42Å; F320-W337 HydrophobicContact CZ-CZ3 3.42Å; F320-W337 VanDerWaalsContact CZ-CZ3 3.42Å; F320-Y354 AromaticContact CE2-CD1 3.92Å; F320-Y354 HydrophobicContact CE2-CD1 3.92Å; F320-Y354 HydrophobicContact CE2-CE1 4.45Å; F320-Y354 HydrophobicContact CZ-CD1 4.04Å; F320-Y359 HydrophobicContact CB-CD2 3.87Å; F320-T360 HydrophobicContact CD1-CG2 4.36Å; F320-T360 HydrophobicContact CE1-CG2 3.68Å; F320-T360 HydrophobicContact CZ-CG2 4.03Å
321Y97.9Very high97Very high90 Ų9034.2 Ų34.235%0.35319%0.193SC..Hα-helixtrans-56.2-45.5-178.3176-102.9000111.8R317 E318 G323 V324 K325R317-Y321 WeakPolarHBondContact O-CB 3.05Å; R317-Y321 PolarHBondContact O-N 2.9Å; E318-Y321 PolarHBondContact O-N 2.99Å; Y321-G323 VanDerWaalsContact C-N 3.34Å; Y321-V324 VanDerWaalsContact O-CG2 3.23Å; Y321-V324 WeakPolarHBondContact O-CG2 3.28Å; Y321-K325 HydrophobicContact CD1-CG 4.49Å; Y321-K325 HydrophobicContact CD2-CG 4.3Å; Y321-K325 HydrophobicContact CE1-CG 4.11Å; Y321-K325 HydrophobicContact CE2-CG 3.93Å; Y321-K325 VanDerWaalsContact O-CB 3.27Å; Y321-K325 WeakPolarHBondContact O-CB 3.3Å; Y321-K325 VanDerWaalsContact O-CG 3.25Å; Y321-K325 WeakPolarHBondContact O-CG 3.31Å; Y321-K325 PolarHBondContact O-N 3.27Å; Y321-K325 VanDerWaalsContact O-N 3.08Å
322R97.4Very high97.1Very high78 Ų7834.2 Ų34.229%0.29419%0.193SC..Hα-helixtrans-67.9-34.7176.2-70.7-179.7179.5-94.911.2112.3D71 E318 A319 F320 K325 A326D71-R322 IonicContact OD2-CZ 3.72Å; D71-R322 IonicContact OD2-NH1 3.55Å; D71-R322 IonicContact OD2-NH2 3.27Å; D71-R322 PolarHBondContact OD2-NH2 2.75Å; E318-R322 HydrophobicContact CG-CG 4.32Å; E318-R322 WeakPolarHBondContact O-CB 3.4Å; E318-R322 WeakPolarHBondContact O-CG 3.44Å; E318-R322 PolarHBondContact O-N 2.85Å; E318-R322 IonicContact OE1-CZ 3.43Å; E318-R322 IonicContact OE1-NE 3.02Å; E318-R322 PolarHBondContact OE1-NE 3.49Å; E318-R322 IonicContact OE1-NH2 2.69Å; E318-R322 PolarHBondContact OE1-NH2 2.78Å; A319-R322 PolarHBondContact O-N 2.68Å; F320-R322 VanDerWaalsContact C-N 3.3Å; F320-R322 PolarHBondContact O-N 3.37Å; R322-K325 PolarHBondContact O-N 3.15Å; R322-A326 WeakPolarHBondContact O-CB 3.49Å; R322-A326 PolarHBondContact O-N 2.92Å
323G98.5Very high97.3Very high0 Ų033.9 Ų33.90%019%0.191CC..Hα-helixtrans-60.3-53.4177.400000110.7A319 F320 Y321 K325 G327 G332 S333A319-G323 PolarHBondContact O-N 3.34Å; F320-G323 WeakPolarHBondContact O-CA 3.16Å; F320-G323 PolarHBondContact O-N 2.88Å; Y321-G323 VanDerWaalsContact C-N 3.34Å; G323-K325 VanDerWaalsContact C-N 3.3Å; G323-K325 PolarHBondContact O-N 3.35Å; G323-G327 VanDerWaalsContact O-CA 3.27Å; G323-G327 WeakPolarHBondContact O-CA 3.28Å; G323-G327 PolarHBondContact O-N 2.88Å; G323-G332 WeakPolarHBondContact O-CA 3.42Å; G323-S333 PolarHBondContact O-N 3.17Å; G323-S333 PolarHBondContact O-OG 3.29Å
324V98.3Very high97.5Very high7 Ų733.9 Ų33.94%0.04219%0.191CC..Hα-helixtrans-70-24.6179-61.70000113.9F320 Y321 G332 F335 Y359 W436F320-V324 WeakPolarHBondContact O-CG2 3.3Å; F320-V324 PolarHBondContact O-N 2.94Å; Y321-V324 VanDerWaalsContact O-CG2 3.23Å; Y321-V324 WeakPolarHBondContact O-CG2 3.28Å; V324-G332 VanDerWaalsContact O-CA 3.27Å; V324-G332 WeakPolarHBondContact O-CA 3.27Å; V324-F335 HydrophobicContact CG1-CD2 4.22Å; V324-F335 HydrophobicContact CG1-CE2 4.02Å; V324-Y359 HydrophobicContact CB-CD1 4.16Å; V324-Y359 HydrophobicContact CG1-CD1 3.79Å; V324-Y359 HydrophobicContact CG1-CG 3.86Å; V324-Y359 HydrophobicContact CG2-CD1 3.58Å; V324-Y359 HydrophobicContact CG2-CE1 3.7Å; V324-Y359 HydrophobicContact CG2-CG 4.06Å; V324-W436 HydrophobicContact CB-CD2 4.17Å; V324-W436 HydrophobicContact CB-CG 4.25Å; V324-W436 HydrophobicContact CB-CZ2 4.22Å; V324-W436 HydrophobicContact CG1-CD2 3.96Å; V324-W436 HydrophobicContact CG1-CE3 4.47Å; V324-W436 HydrophobicContact CG1-CG 4.15Å; V324-W436 HydrophobicContact CG1-CZ2 4.48Å; V324-W436 PolarHBondContact O-NE1 2.9Å
325K97.5Very high97.8Very high126 Ų12630.7 Ų30.755%0.54817%0.17SC..Hα-helixtrans-85.3-37.7179.6-77.9-58.1-161.2-1720114.4Y321 R322 G323Y321-K325 HydrophobicContact CD1-CG 4.49Å; Y321-K325 HydrophobicContact CD2-CG 4.3Å; Y321-K325 HydrophobicContact CE1-CG 4.11Å; Y321-K325 HydrophobicContact CE2-CG 3.93Å; Y321-K325 VanDerWaalsContact O-CB 3.27Å; Y321-K325 WeakPolarHBondContact O-CB 3.3Å; Y321-K325 VanDerWaalsContact O-CG 3.25Å; Y321-K325 WeakPolarHBondContact O-CG 3.31Å; Y321-K325 PolarHBondContact O-N 3.27Å; Y321-K325 VanDerWaalsContact O-N 3.08Å; R322-K325 PolarHBondContact O-N 3.15Å; G323-K325 VanDerWaalsContact C-N 3.3Å; G323-K325 PolarHBondContact O-N 3.35Å
326A97Very high98Very high40 Ų4029.9 Ų29.933%0.33117%0.166SC..Hα-helixtrans-126.1-17.5-16900000113.8H291 R322 G330H291-A326 PolarHBondContact CE1-O 2.69Å; H291-A326 PolarHBondContact ND1-O 2.77Å; H291-A326 VanDerWaalsContact ND1-O 3.13Å; R322-A326 WeakPolarHBondContact O-CB 3.49Å; R322-A326 PolarHBondContact O-N 2.92Å; A326-G330 PolarHBondContact O-N 3.04Å
327G98.1Very high98Very high0 Ų029.9 Ų29.90%017%0.166CC..THydrogen-bonded Turntrans-56.9152.517900000112.1R290 G323 G329 G330 K331 G332R290-G327 CarbonylContact O-C 3.58Å; R290-G327 WeakPolarHBondContact O-CA 3.46Å; G323-G327 VanDerWaalsContact O-CA 3.27Å; G323-G327 WeakPolarHBondContact O-CA 3.28Å; G323-G327 PolarHBondContact O-N 2.88Å; G327-G329 VanDerWaalsContact C-N 3.28Å; G327-G329 PolarHBondContact O-N 3.34Å; G327-G330 PolarHBondContact O-N 3.47Å; G327-K331 PolarHBondContact O-N 3.43Å; G327-G332 WeakPolarHBondContact O-CA 3.38Å; G327-G332 PolarHBondContact O-N 3.32Å
328R98Very high98.1Very high15 Ų1527.6 Ų27.66%0.05716%0.157CC..G310 helixtrans5145.3177.7-55.6170.369.8-134.8-7.1113.3R290 D294 G330 K331 G332 L428 P432 L434R290-R328 PolarHBondContact O-N 2.83Å; D294-R328 HydrophobicContact CB-CG 4.49Å; D294-R328 WeakPolarHBondContact O-CD 3.44Å; D294-R328 IonicContact OD1-CZ 3.98Å; D294-R328 IonicContact OD1-NE 2.92Å; D294-R328 PolarHBondContact OD1-NE 2.97Å; D294-R328 IonicContact OD1-NH2 3.19Å; R328-G330 VanDerWaalsContact C-N 3.32Å; R328-G330 PolarHBondContact O-N 2.94Å; R328-K331 HydrophobicContact CB-CB 4.12Å; R328-K331 WeakPolarHBondContact O-CB 3.36Å; R328-K331 WeakPolarHBondContact O-CG 3.34Å; R328-K331 PolarHBondContact O-N 3.24Å; R328-G332 VanDerWaalsContact CD-O 3.31Å; R328-G332 WeakPolarHBondContact CD-O 3.28Å; R328-L428 VanDerWaalsContact NH2-CD2 3.31Å; R328-P432 PolarHBondContact NH2-O 3.41Å; R328-L434 PolarHBondContact NH1-O 3.4Å
329G96.4Very high98.1Very high70 Ų7025.6 Ų25.672%0.72215%0.148SC*.G310 helixtrans64.429.5-178.100000114.9G327G327-G329 VanDerWaalsContact C-N 3.28Å; G327-G329 PolarHBondContact O-N 3.34Å
330G97.9Very high98Very high46 Ų4625.6 Ų25.647%0.47415%0.148SC..G310 helixtrans95.3-4.1-178.900000115A326 G327 R328 G332A326-G330 PolarHBondContact O-N 3.04Å; G327-G330 PolarHBondContact O-N 3.47Å; R328-G330 VanDerWaalsContact C-N 3.32Å; R328-G330 PolarHBondContact O-N 2.94Å; G330-G332 PolarHBondContact O-N 3.2Å
331K98.5Very high97.9Very high61 Ų6126.3 Ų26.327%0.26515%0.152SC..THydrogen-bonded Turntrans-72.4-20.8172.4-60.8171-177.7175.50112.4G327 R328 P432 N433 T435 W436G327-K331 PolarHBondContact O-N 3.43Å; R328-K331 HydrophobicContact CB-CB 4.12Å; R328-K331 WeakPolarHBondContact O-CB 3.36Å; R328-K331 WeakPolarHBondContact O-CG 3.34Å; R328-K331 PolarHBondContact O-N 3.24Å; K331-P432 WeakPolarHBondContact CD-O 3.42Å; K331-P432 PolarHBondContact NZ-O 3.06Å; K331-N433 PolarHBondContact NZ-OD1 3.19Å; K331-T435 WeakPolarHBondContact O-CA 3.37Å; K331-T435 VanDerWaalsContact O-CB 3.27Å; K331-T435 WeakPolarHBondContact O-CB 3.48Å; K331-W436 PolarHBondContact O-N 3.33Å; K331-W436 VanDerWaalsContact O-N 3.13Å
332G98.6Very high97.8Very high0 Ų022 Ų220%014%0.135CC..  trans85.4133.9179.900000112.9G323 V324 G327 R328 G330G323-G332 WeakPolarHBondContact O-CA 3.42Å; V324-G332 VanDerWaalsContact O-CA 3.27Å; V324-G332 WeakPolarHBondContact O-CA 3.27Å; G327-G332 WeakPolarHBondContact O-CA 3.38Å; G327-G332 PolarHBondContact O-N 3.32Å; R328-G332 VanDerWaalsContact CD-O 3.31Å; R328-G332 WeakPolarHBondContact CD-O 3.28Å; G330-G332 PolarHBondContact O-N 3.2Å
333S98.7Very high97.7Very high0 Ų019.1 Ų19.10%013%0.13CC..  trans-59.1143.7172.4-58.60000111G323G323-S333 PolarHBondContact O-N 3.17Å; G323-S333 PolarHBondContact O-OG 3.29Å
334I98.9Very high97.5Very high1 Ų122.6 Ų22.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-98.2121.8176.4-54.9-172000108.4D294 I295 Y296 V336 L361 I424 L428 W436 M439D294-I334 PolarHBondContact O-N 3.43Å; I295-I334 CarbonylContact C-O 3.57Å; I295-I334 WeakPolarHBondContact CA-O 3.23Å; I295-I334 HydrophobicContact CG1-CB 4.34Å; Y296-I334 PolarHBondContact N-O 3.24Å; I334-V336 HydrophobicContact CG2-CG2 4.32Å; I334-L361 HydrophobicContact CG2-CD1 3.38Å; I334-I424 HydrophobicContact CD1-CG2 3.91Å; I334-I424 HydrophobicContact CG2-CD1 4.5Å; I334-I424 HydrophobicContact CG2-CG2 4.21Å; I334-L428 HydrophobicContact CD1-CD1 3.85Å; I334-L428 HydrophobicContact CD1-CD2 4.07Å; I334-L428 HydrophobicContact CD1-CG 4.22Å; I334-W436 HydrophobicContact CG1-CB 4.26Å; I334-M439 HydrophobicContact CD1-CB 3.9Å; I334-M439 HydrophobicContact CD1-CE 4.26Å; I334-M439 HydrophobicContact CD1-CG 3.97Å
335F98.9Very high97.4Very high1 Ų128.2 Ų28.20%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-106.8115.8178.2-60.8-80.1000109.4L286 Y296 F320 V324 T360 L361L286-F335 HydrophobicContact CD2-CD1 3.88Å; L286-F335 HydrophobicContact CD2-CE1 3.77Å; Y296-F335 HydrophobicContact CD2-CD1 4.03Å; Y296-F335 AromaticContact CD2-CE1 3.66Å; Y296-F335 HydrophobicContact CD2-CE1 3.66Å; Y296-F335 HydrophobicContact CD2-CZ 4.29Å; Y296-F335 HydrophobicContact CE2-CE1 4.26Å; Y296-F335 HydrophobicContact CG-CD1 4.04Å; Y296-F335 AromaticContact CG-CE1 3.84Å; Y296-F335 HydrophobicContact CG-CE1 3.84Å; Y296-F335 WeakPolarHBondContact O-CA 3.35Å; F320-F335 HydrophobicContact CD1-CB 4.46Å; F320-F335 AromaticContact CD1-CD1 3.92Å; F320-F335 HydrophobicContact CD1-CD1 3.92Å; F320-F335 AromaticContact CD1-CD2 3.74Å; F320-F335 HydrophobicContact CD1-CD2 3.74Å; F320-F335 HydrophobicContact CD1-CE1 4.06Å; F320-F335 AromaticContact CD1-CE2 3.86Å; F320-F335 HydrophobicContact CD1-CE2 3.86Å; F320-F335 AromaticContact CD1-CG 3.77Å; F320-F335 HydrophobicContact CD1-CG 3.77Å; F320-F335 HydrophobicContact CD1-CZ 4.02Å; F320-F335 HydrophobicContact CE1-CB 4.04Å; F320-F335 AromaticContact CE1-CD1 3.72Å; F320-F335 HydrophobicContact CE1-CD1 3.72Å; F320-F335 HydrophobicContact CE1-CD2 4.16Å; F320-F335 HydrophobicContact CE1-CE1 4.21Å; F320-F335 AromaticContact CE1-CG 3.7Å; F320-F335 HydrophobicContact CE1-CG 3.7Å; V324-F335 HydrophobicContact CG1-CD2 4.22Å; V324-F335 HydrophobicContact CG1-CE2 4.02Å; F335-T360 HydrophobicContact CB-CG2 3.98Å; F335-T360 CarbonylContact O-C 3.5Å; F335-T360 WeakPolarHBondContact O-CA 3.33Å; F335-L361 PolarHBondContact O-N 2.98Å
336V98.9Very high97.3Very high0 Ų027.2 Ų27.20%017%0.172CC..EExtended strand (participates in β ladder)trans-104129176.5-174.80000108.2I295 Y296 A298 I334 L361 V363 A417 A420 A421 I424I295-V336 HydrophobicContact CG2-CG2 3.87Å; Y296-V336 PolarHBondContact O-N 3.42Å; A298-V336 PolarHBondContact N-O 3.47Å; I334-V336 HydrophobicContact CG2-CG2 4.32Å; V336-L361 HydrophobicContact CG2-CD1 4.41Å; V336-V363 HydrophobicContact CG1-CG2 3.89Å; V336-A417 HydrophobicContact CG1-CB 4.24Å; V336-A417 WeakPolarHBondContact CG1-O 3.4Å; V336-A420 HydrophobicContact CG1-CB 4.06Å; V336-A421 HydrophobicContact CG2-CB 4.36Å; V336-I424 HydrophobicContact CG2-CD1 3.58Å
337W98.7Very high97.3Very high1 Ų125.7 Ų25.70%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-130.2134.2-173.4-138.3-80000111.3L286 A298 W300 F320 Y354 T360 L361 S362 V363L286-W337 HydrophobicContact CD2-CH2 4.18Å; L286-W337 HydrophobicContact CD2-CZ3 3.92Å; A298-W337 HydrophobicContact CB-CD2 3.72Å; A298-W337 HydrophobicContact CB-CE3 3.65Å; A298-W337 HydrophobicContact CB-CG 4.5Å; A298-W337 HydrophobicContact CB-CH2 3.57Å; A298-W337 HydrophobicContact CB-CZ2 3.63Å; A298-W337 HydrophobicContact CB-CZ3 3.56Å; A298-W337 WeakPolarHBondContact O-CA 3.1Å; W300-W337 HydrophobicContact CD2-CZ2 4.19Å; W300-W337 HydrophobicContact CE3-CZ2 4.05Å; W300-W337 AromaticContact CH2-CH2 3.75Å; W300-W337 HydrophobicContact CH2-CH2 3.75Å; W300-W337 AromaticContact CH2-CZ2 3.6Å; W300-W337 HydrophobicContact CH2-CZ2 3.6Å; W300-W337 AromaticContact CZ2-CH2 3.74Å; W300-W337 HydrophobicContact CZ2-CH2 3.74Å; W300-W337 AromaticContact CZ2-CZ2 3.75Å; W300-W337 HydrophobicContact CZ2-CZ2 3.75Å; W300-W337 HydrophobicContact CZ3-CH2 4.37Å; W300-W337 AromaticContact CZ3-CZ2 3.76Å; W300-W337 HydrophobicContact CZ3-CZ2 3.76Å; W300-W337 PolarHBondContact O-NE1 3.17Å; F320-W337 HydrophobicContact CE1-CE3 4.32Å; F320-W337 AromaticContact CE1-CZ3 3.8Å; F320-W337 HydrophobicContact CE1-CZ3 3.8Å; F320-W337 HydrophobicContact CZ-CE3 4.09Å; F320-W337 AromaticContact CZ-CH2 3.85Å; F320-W337 HydrophobicContact CZ-CH2 3.85Å; F320-W337 AromaticContact CZ-CZ3 3.42Å; F320-W337 HydrophobicContact CZ-CZ3 3.42Å; F320-W337 VanDerWaalsContact CZ-CZ3 3.42Å; W337-Y354 HydrophobicContact CD2-CG 4.48Å; W337-Y354 AromaticContact CE2-CG 3.67Å; W337-Y354 AromaticContact CH2-CD1 3.64Å; W337-Y354 HydrophobicContact CH2-CD1 3.64Å; W337-Y354 HydrophobicContact CH2-CE1 4.24Å; W337-Y354 HydrophobicContact CH2-CG 4.17Å; W337-Y354 AromaticContact CZ2-CD1 3.4Å; W337-Y354 HydrophobicContact CZ2-CD1 3.4Å; W337-Y354 HydrophobicContact CZ2-CD2 4.17Å; W337-Y354 HydrophobicContact CZ2-CE1 4.05Å; W337-Y354 AromaticContact CZ2-CG 3.49Å; W337-Y354 HydrophobicContact CZ2-CG 3.49Å; W337-Y354 VanDerWaalsContact CZ2-CG 3.49Å; W337-Y354 HydrophobicContact CZ3-CD1 4.44Å; W337-Y354 AromaticContact NE1-CG 3.93Å; W337-T360 HydrophobicContact CE3-CG2 4.11Å; W337-L361 PolarHBondContact N-O 3.22Å; W337-S362 WeakPolarHBondContact O-CA 3.42Å; W337-V363 PolarHBondContact O-N 3.4Å
338A98.4Very high97.3Very high0 Ų025.7 Ų25.70%016%0.158CC..EExtended strand (participates in β ladder)trans-66135172.600000110.9R116 A298 G340 A417R116-A338 HydrophobicContact CB-CB 4.23Å; R116-A338 HydrophobicContact CG-CB 3.88Å; A298-A338 PolarHBondContact O-N 3.23Å; A338-G340 VanDerWaalsContact C-N 3.31Å; A338-G340 PolarHBondContact O-N 3.26Å; A338-A417 HydrophobicContact CB-CB 4.06Å
339S97.1Very high97.3Very high0 Ų025 Ų250%016%0.155CC..  trans-75.1-16.4-177.273.10000114C349 V363 S364 L376S339-C349 WeakPolarHBondContact O-CB 3.39Å; S339-V363 WeakPolarHBondContact CB-O 3.31Å; S339-V363 PolarHBondContact N-O 3.11Å; S339-V363 PolarHBondContact OG-O 2.6Å; S339-S364 WeakPolarHBondContact OG-CA 3.47Å; S339-L376 WeakPolarHBondContact OG-CD1 3.36Å
340G96.3Very high97.3Very high0 Ų021.7 Ų21.70%012%0.121CC..  trans110162.2172.200000118.4A338 E377 T413A338-G340 VanDerWaalsContact C-N 3.31Å; A338-G340 PolarHBondContact O-N 3.26Å; G340-E377 WeakPolarHBondContact CA-OE1 3.36Å; G340-E377 PolarHBondContact O-N 3.04Å; G340-T413 WeakPolarHBondContact CA-OG1 3.34Å; G340-T413 PolarHBondContact N-OG1 2.94Å; G340-T413 VanDerWaalsContact N-OG1 3.15Å; G340-T413 WeakPolarHBondContact O-CG2 3.37Å
341N95.9Very high97.3Very high16 Ų1619.6 Ų19.69%0.08610%0.1CC..SBendtrans-121.714.2-166.4-715.3000114.5R116 D117 D304 G343 Y375 E377 T413R116-N341 PolarHBondContact O-ND2 3.45Å; D117-N341 PolarHBondContact O-ND2 3.13Å; D304-N341 WeakPolarHBondContact OD2-CA 3.48Å; D304-N341 WeakPolarHBondContact OD2-CB 3.4Å; D304-N341 PolarHBondContact OD2-N 2.99Å; N341-G343 VanDerWaalsContact C-N 3.33Å; N341-G343 PolarHBondContact O-N 2.83Å; N341-Y375 CarbonylContact C-O 3.58Å; N341-Y375 WeakPolarHBondContact CA-O 3.34Å; N341-Y375 HydrophobicContact CB-CD2 4.24Å; N341-Y375 HydrophobicContact CB-CG 4.48Å; N341-Y375 WeakPolarHBondContact O-CB 3.47Å; N341-Y375 WeakPolarHBondContact OD1-CD2 3.35Å; N341-E377 PolarHBondContact N-OE1 3.22Å; N341-E377 VanDerWaalsContact N-OE1 3.09Å; N341-T413 PolarHBondContact OD1-N 3.32Å; N341-T413 PolarHBondContact OD1-OG1 2.98Å
342G95.8Very high97.2Very high0 Ų016.9 Ų16.90%09%0.088CC..  trans-81.15.4179.200000116.8D304 S344 R345 Q346 D347 Y375 E377D304-G342 PolarHBondContact OD2-N 2.99Å; G342-S344 VanDerWaalsContact C-N 3.3Å; G342-S344 PolarHBondContact O-N 2.93Å; G342-S344 VanDerWaalsContact O-N 3.16Å; G342-R345 CarbonylContact O-C 3.58Å; G342-R345 WeakPolarHBondContact O-CA 3.23Å; G342-R345 PolarHBondContact O-N 3.22Å; G342-Q346 PolarHBondContact O-N 3.25Å; G342-D347 WeakPolarHBondContact O-CB 3.23Å; G342-D347 PolarHBondContact O-N 2.89Å; G342-D347 VanDerWaalsContact O-N 3.08Å; G342-Y375 PolarHBondContact N-O 3.22Å; G342-E377 PolarHBondContact N-OE1 2.83Å
343G95.1Very high97.1Very high18 Ų1817.3 Ų17.319%0.1869%0.093CC..G310 helixtrans-56-34.6-17400000115.3N341 R345 Q346 W374 Y375 L376N341-G343 VanDerWaalsContact C-N 3.33Å; N341-G343 PolarHBondContact O-N 2.83Å; G343-R345 PolarHBondContact O-N 3.25Å; G343-Q346 PolarHBondContact O-N 3.23Å; G343-W374 CarbonylContact C-O 3.57Å; G343-Y375 WeakPolarHBondContact CA-O 3.4Å; G343-Y375 PolarHBondContact N-O 3.27Å; G343-L376 WeakPolarHBondContact CA-O 3.38Å
344S94.4Very high97.1Very high73 Ų7317.3 Ų17.351%0.519%0.093SC..G310 helixtrans-65.6-23174.656.80000114.1G342 W374G342-S344 VanDerWaalsContact C-N 3.3Å; G342-S344 PolarHBondContact O-N 2.93Å; G342-S344 VanDerWaalsContact O-N 3.16Å; S344-W374 VanDerWaalsContact CB-CZ3 3.49Å; S344-W374 PolarHBondContact N-O 2.75Å
345R95.2Very high97Very high125 Ų12517.3 Ų17.347%0.4729%0.093SC..G310 helixtrans-100.714.4175-59.7-179.7-172.5165.3-6.6111.3D304 G342 G343 D347 Q572D304-R345 VanDerWaalsContact O-CD 3.26Å; D304-R345 WeakPolarHBondContact O-CD 3.4Å; D304-R345 PolarHBondContact O-NH1 3.42Å; G342-R345 CarbonylContact O-C 3.58Å; G342-R345 WeakPolarHBondContact O-CA 3.23Å; G342-R345 PolarHBondContact O-N 3.22Å; G343-R345 PolarHBondContact O-N 3.25Å; R345-D347 PolarHBondContact O-N 2.85Å; R345-Q572 PolarHBondContact O-OE1 2.77Å
346Q96.2Very high96.9Very high105 Ų10517.3 Ų17.349%0.4919%0.093SC..THydrogen-bonded Turntrans55.136.6-178.6-54.3172.8-85.600112G342 G343G342-Q346 PolarHBondContact O-N 3.25Å; G343-Q346 PolarHBondContact O-N 3.23Å
347D97.2Very high96.9Very high8 Ų818.1 Ų18.14%0.04310%0.098CC..  trans-75.7168.6174.3-146.9-10.5000112D304 D305 G306 G342 R345 E377 R570D304-D347 WeakPolarHBondContact CA-OD2 3.12Å; D305-D347 PolarHBondContact N-OD2 3.47Å; G306-D347 VanDerWaalsContact CA-CG 3.45Å; G306-D347 VanDerWaalsContact N-CG 3.34Å; G306-D347 PolarHBondContact N-OD2 2.91Å; G342-D347 WeakPolarHBondContact O-CB 3.23Å; G342-D347 PolarHBondContact O-N 2.89Å; G342-D347 VanDerWaalsContact O-N 3.08Å; R345-D347 PolarHBondContact O-N 2.85Å; D347-E377 HydrophobicContact CB-CG 4.13Å; D347-R570 IonicContact OD1-CZ 3.38Å; D347-R570 VanDerWaalsContact OD1-CZ 3.22Å; D347-R570 IonicContact OD1-NE 3.51Å; D347-R570 PolarHBondContact OD1-NE 2.88Å; D347-R570 IonicContact OD1-NH2 3.64Å; D347-R570 PolarHBondContact OD1-NH2 3.42Å; D347-R570 IonicContact OD2-NH2 3.63Å
348S97.8Very high96.8Very high0 Ų018.3 Ų18.30%010%0.099CC..  trans-141.8131.8179.3-179.50000110.8S350 A351 E378 P568S348-S350 PolarHBondContact O-N 2.92Å; S348-S350 WeakPolarHBondContact OG-CB 3.29Å; S348-S350 PolarHBondContact OG-N 3.27Å; S348-A351 WeakPolarHBondContact O-CB 3.35Å; S348-A351 PolarHBondContact O-N 3.35Å; S348-E378 PolarHBondContact OG-O 3.41Å; S348-P568 WeakPolarHBondContact OG-CD 3.41Å
349C98Very high96.8Very high0 Ų021.1 Ų21.10%011%0.11CC..G310 helixtrans-62.9-14.2175.444.70000113.4S339 A351 D352 T355 E377 C379S339-C349 WeakPolarHBondContact O-CB 3.39Å; C349-A351 PolarHBondContact O-N 2.97Å; C349-D352 WeakPolarHBondContact O-CB 3.49Å; C349-D352 PolarHBondContact O-N 3.05Å; C349-T355 PolarHBondContact O-OG1 2.01Å; C349-E377 WeakPolarHBondContact CA-OE2 3.46Å; C349-E377 HydrophobicContact CB-CB 4.13Å; C349-E377 PolarHBondContact N-OE2 3.34Å; C349-C379 HydrophobicContact CB-CB 4.02Å; C349-C379 WeakPolarHBondContact CB-SG 3.47Å; C349-C379 WeakPolarHBondContact SG-CB 3.18Å; C349-C379 PolarHBondContact SG-N 3.38Å; C349-C379 VanDerWaalsContact SG-N 3.41Å; C349-C379 CovalentContact SG-SG 2.01Å; C349-C379 PolarHBondContact SG-SG 3.26Å
350S97.7Very high96.9Very high0 Ų021.5 Ų21.50%011%0.113CC..G310 helixtrans-61.7-19.4167.6-720000114.3S348 D352 C379 L566 W582S348-S350 PolarHBondContact O-N 2.92Å; S348-S350 WeakPolarHBondContact OG-CB 3.29Å; S348-S350 PolarHBondContact OG-N 3.27Å; S350-D352 VanDerWaalsContact C-N 3.34Å; S350-C379 WeakPolarHBondContact OG-CB 3.33Å; S350-L566 WeakPolarHBondContact CB-O 3.46Å; S350-L566 PolarHBondContact OG-O 3.41Å; S350-W582 PolarHBondContact O-NE1 3.29Å
351A96.7Very high97Very high3 Ų321.7 Ų21.73%0.02511%0.114CC..G310 helixtrans-90.30.5173.700000113T308 F309 D310 S348 C349 W582T308-A351 WeakPolarHBondContact O-CB 3.03Å; F309-A351 HydrophobicContact CD1-CB 3.91Å; F309-A351 HydrophobicContact CD2-CB 3.94Å; F309-A351 HydrophobicContact CE1-CB 3.84Å; F309-A351 HydrophobicContact CE2-CB 3.9Å; F309-A351 HydrophobicContact CG-CB 3.95Å; F309-A351 HydrophobicContact CZ-CB 3.84Å; D310-A351 PolarHBondContact N-O 3.4Å; S348-A351 WeakPolarHBondContact O-CB 3.35Å; S348-A351 PolarHBondContact O-N 3.35Å; C349-A351 PolarHBondContact O-N 2.97Å; A351-W582 WeakPolarHBondContact O-CZ2 3.47Å
352D97Very high97.1Very high3 Ų321 Ų212%0.01611%0.11CC..BIsolated β-bridgetrans-100.1114.5173.3179.1-37.3000109.9R116 P302 C349 S350 Y354 T355 T356R116-D352 IonicContact CZ-OD2 2.75Å; R116-D352 IonicContact NH2-OD2 2.96Å; R116-D352 PolarHBondContact NH2-OD2 3.01Å; P302-D352 VanDerWaalsContact CD-CG 3.47Å; P302-D352 WeakPolarHBondContact CD-OD2 3.17Å; P302-D352 HydrophobicContact CG-CB 4.4Å; C349-D352 WeakPolarHBondContact O-CB 3.49Å; C349-D352 PolarHBondContact O-N 3.05Å; S350-D352 VanDerWaalsContact C-N 3.34Å; D352-Y354 VanDerWaalsContact C-N 3.27Å; D352-Y354 PolarHBondContact O-N 2.84Å; D352-Y354 VanDerWaalsContact OD1-CA 3.31Å; D352-Y354 WeakPolarHBondContact OD1-CA 3.45Å; D352-Y354 VanDerWaalsContact OD1-CB 3.22Å; D352-Y354 WeakPolarHBondContact OD1-CB 3.41Å; D352-Y354 WeakPolarHBondContact OD1-CD2 3.4Å; D352-Y354 PolarHBondContact OD1-N 3Å; D352-T355 HydrophobicContact CB-CG2 4.23Å; D352-T355 PolarHBondContact O-N 2.94Å; D352-T355 PolarHBondContact O-OG1 3.38Å; D352-T355 PolarHBondContact OD1-N 3.49Å; D352-T355 VanDerWaalsContact OD1-N 3.09Å; D352-T356 WeakPolarHBondContact O-CG2 3.39Å; D352-T356 PolarHBondContact O-N 2.91Å; D352-T356 VanDerWaalsContact O-N 3.11Å; D352-T356 PolarHBondContact O-OG1 2.72Å
353G96.4Very high97.3Very high10 Ų1021 Ų2110%0.10311%0.111CC..THydrogen-bonded Turntrans-67.6-18.4-179.700000115.4D310 P312 T356 S357D310-G353 PolarHBondContact O-N 3.22Å; P312-G353 VanDerWaalsContact CD-C 3.45Å; G353-T356 VanDerWaalsContact CA-OG1 3.3Å; G353-T356 WeakPolarHBondContact CA-OG1 3.4Å; G353-S357 PolarHBondContact O-N 2.89Å
354Y98Very high97.4Very high0 Ų020.2 Ų20.20%010%0.102CC..THydrogen-bonded Turntrans-78-44.6174.4-52.3-83.4000110.7R113 E282 W300 P302 P312 F320 W337 D352 T356 S357 T360R113-Y354 PolarHBondContact NE-OH 2.79Å; R113-Y354 VanDerWaalsContact NE-OH 3.15Å; R113-Y354 PolarHBondContact NH2-OH 3.34Å; E282-Y354 PolarHBondContact OE1-OH 2.68Å; E282-Y354 PolarHBondContact OE2-OH 3.49Å; W300-Y354 HydrophobicContact CH2-CE1 4.05Å; W300-Y354 AromaticContact CZ3-CE1 3.96Å; W300-Y354 HydrophobicContact CZ3-CE1 3.96Å; W300-Y354 AromaticContact CZ3-CE2 3.99Å; W300-Y354 HydrophobicContact CZ3-CE2 3.99Å; W300-Y354 AromaticContact CZ3-CZ 3.66Å; P302-Y354 HydrophobicContact CG-CE2 4.39Å; P312-Y354 HydrophobicContact CB-CD1 4.07Å; P312-Y354 HydrophobicContact CB-CE1 3.63Å; P312-Y354 HydrophobicContact CG-CD1 4.16Å; P312-Y354 HydrophobicContact CG-CE1 4.16Å; F320-Y354 AromaticContact CE2-CD1 3.92Å; F320-Y354 HydrophobicContact CE2-CD1 3.92Å; F320-Y354 HydrophobicContact CE2-CE1 4.45Å; F320-Y354 HydrophobicContact CZ-CD1 4.04Å; W337-Y354 HydrophobicContact CD2-CG 4.48Å; W337-Y354 AromaticContact CE2-CG 3.67Å; W337-Y354 AromaticContact CH2-CD1 3.64Å; W337-Y354 HydrophobicContact CH2-CD1 3.64Å; W337-Y354 HydrophobicContact CH2-CE1 4.24Å; W337-Y354 HydrophobicContact CH2-CG 4.17Å; W337-Y354 AromaticContact CZ2-CD1 3.4Å; W337-Y354 HydrophobicContact CZ2-CD1 3.4Å; W337-Y354 HydrophobicContact CZ2-CD2 4.17Å; W337-Y354 HydrophobicContact CZ2-CE1 4.05Å; W337-Y354 AromaticContact CZ2-CG 3.49Å; W337-Y354 HydrophobicContact CZ2-CG 3.49Å; W337-Y354 VanDerWaalsContact CZ2-CG 3.49Å; W337-Y354 HydrophobicContact CZ3-CD1 4.44Å; W337-Y354 AromaticContact NE1-CG 3.93Å; D352-Y354 VanDerWaalsContact C-N 3.27Å; D352-Y354 PolarHBondContact O-N 2.84Å; D352-Y354 VanDerWaalsContact OD1-CA 3.31Å; D352-Y354 WeakPolarHBondContact OD1-CA 3.45Å; D352-Y354 VanDerWaalsContact OD1-CB 3.22Å; D352-Y354 WeakPolarHBondContact OD1-CB 3.41Å; D352-Y354 WeakPolarHBondContact OD1-CD2 3.4Å; D352-Y354 PolarHBondContact OD1-N 3Å; Y354-T356 VanDerWaalsContact C-N 3.31Å; Y354-T356 PolarHBondContact O-N 3.41Å; Y354-S357 VanDerWaalsContact O-CB 3.3Å; Y354-S357 WeakPolarHBondContact O-CB 3.27Å; Y354-S357 PolarHBondContact O-N 2.92Å; Y354-T360 WeakPolarHBondContact O-CB 3.29Å; Y354-T360 VanDerWaalsContact O-CG2 3.31Å; Y354-T360 WeakPolarHBondContact O-CG2 3.29Å; Y354-T360 PolarHBondContact O-OG1 2.96Å
355T97.6Very high97.6Very high1 Ų116.7 Ų16.71%0.0068%0.077CC..THydrogen-bonded Turntrans-75.8-20.4178.876.50000112.9C349 D352 S381C349-T355 PolarHBondContact O-OG1 2.01Å; D352-T355 HydrophobicContact CB-CG2 4.23Å; D352-T355 PolarHBondContact O-N 2.94Å; D352-T355 PolarHBondContact O-OG1 3.38Å; D352-T355 PolarHBondContact OD1-N 3.49Å; D352-T355 VanDerWaalsContact OD1-N 3.09Å; T355-S381 WeakPolarHBondContact O-CB 3.17Å; T355-S381 PolarHBondContact O-OG 3.05Å; T355-S381 VanDerWaalsContact O-OG 3.05Å
356T97.1Very high97.7Very high1 Ų110.8 Ų10.81%0.0066%0.055CC..THydrogen-bonded Turntrans-93.23.4174.153.90000113.8D352 G353 Y354 Q539 L585D352-T356 WeakPolarHBondContact O-CG2 3.39Å; D352-T356 PolarHBondContact O-N 2.91Å; D352-T356 VanDerWaalsContact O-N 3.11Å; D352-T356 PolarHBondContact O-OG1 2.72Å; G353-T356 VanDerWaalsContact CA-OG1 3.3Å; G353-T356 WeakPolarHBondContact CA-OG1 3.4Å; Y354-T356 VanDerWaalsContact C-N 3.31Å; Y354-T356 PolarHBondContact O-N 3.41Å; T356-Q539 PolarHBondContact O-NE2 2.83Å; T356-L585 HydrophobicContact CG2-CB 4.34Å; T356-L585 WeakPolarHBondContact O-CB 3.41Å; T356-L585 WeakPolarHBondContact O-CD2 3.2Å
357S97.4Very high97.8Very high17 Ų175.9 Ų5.912%0.1193%0.032CC..SBendtrans-71.8131.8169179.40000110.4G353 Y354 Y359 T360G353-S357 PolarHBondContact O-N 2.89Å; Y354-S357 VanDerWaalsContact O-CB 3.3Å; Y354-S357 WeakPolarHBondContact O-CB 3.27Å; Y354-S357 PolarHBondContact O-N 2.92Å; S357-Y359 PolarHBondContact O-N 3.09Å; S357-Y359 PolarHBondContact OG-N 2.78Å; S357-T360 PolarHBondContact O-N 3.46Å; S357-T360 PolarHBondContact O-OG1 2.56Å; S357-T360 VanDerWaalsContact O-OG1 3.09Å
358V98Very high97.8Very high4 Ų47.2 Ų7.22%0.0244%0.039CC..THydrogen-bonded Turntrans-63.3-12.4173.1-59.80000113W436 Q440 H537 Q539 L585 Y623V358-W436 WeakPolarHBondContact O-CZ3 3.48Å; V358-Q440 PolarHBondContact O-NE2 3.39Å; V358-H537 HydrophobicContact CB-CB 4.34Å; V358-H537 HydrophobicContact CG1-CB 3.72Å; V358-H537 PolarHBondContact O-NE2 3.2Å; V358-Q539 HydrophobicContact CG1-CG 4.25Å; V358-L585 HydrophobicContact CG1-CD1 4Å; V358-Y623 HydrophobicContact CG1-CD2 4.35Å; V358-Y623 HydrophobicContact CG1-CE1 4.38Å; V358-Y623 HydrophobicContact CG1-CE2 4.07Å; V358-Y623 HydrophobicContact CG2-CE1 4.32Å
359Y98.4Very high97.7Very high59 Ų599.7 Ų9.723%0.2315%0.052CC..THydrogen-bonded Turntrans-91.9-4.9-176.3-54.7-42.9000114F320 V324 S357 W436F320-Y359 HydrophobicContact CB-CD2 3.87Å; V324-Y359 HydrophobicContact CB-CD1 4.16Å; V324-Y359 HydrophobicContact CG1-CD1 3.79Å; V324-Y359 HydrophobicContact CG1-CG 3.86Å; V324-Y359 HydrophobicContact CG2-CD1 3.58Å; V324-Y359 HydrophobicContact CG2-CE1 3.7Å; V324-Y359 HydrophobicContact CG2-CG 4.06Å; S357-Y359 PolarHBondContact O-N 3.09Å; S357-Y359 PolarHBondContact OG-N 2.78Å; Y359-W436 AromaticContact CD1-CH2 3.89Å; Y359-W436 HydrophobicContact CD1-CH2 3.89Å; Y359-W436 HydrophobicContact CD1-CZ2 4.13Å; Y359-W436 HydrophobicContact CD1-CZ3 4.42Å; Y359-W436 HydrophobicContact CE1-CH2 4.4Å; Y359-W436 HydrophobicContact CE1-CZ2 4.46Å
360T98.6Very high97.7Very high8 Ų810.1 Ų10.15%0.0495%0.054CC..EExtended strand (participates in β ladder)trans-111.3154-175.960.10000111.3F320 F335 W337 Y354 S357 Q440F320-T360 HydrophobicContact CD1-CG2 4.36Å; F320-T360 HydrophobicContact CE1-CG2 3.68Å; F320-T360 HydrophobicContact CZ-CG2 4.03Å; F335-T360 HydrophobicContact CB-CG2 3.98Å; F335-T360 CarbonylContact O-C 3.5Å; F335-T360 WeakPolarHBondContact O-CA 3.33Å; W337-T360 HydrophobicContact CE3-CG2 4.11Å; Y354-T360 WeakPolarHBondContact O-CB 3.29Å; Y354-T360 VanDerWaalsContact O-CG2 3.31Å; Y354-T360 WeakPolarHBondContact O-CG2 3.29Å; Y354-T360 PolarHBondContact O-OG1 2.96Å; S357-T360 PolarHBondContact O-N 3.46Å; S357-T360 PolarHBondContact O-OG1 2.56Å; S357-T360 VanDerWaalsContact O-OG1 3.09Å; T360-Q440 PolarHBondContact O-NE2 2.92Å
361L98.7Very high97.7Very high4 Ų415.6 Ų15.62%0.0218%0.075CC..EExtended strand (participates in β ladder)trans-101.499.2166.6-72.8140.5000107.1I334 F335 V336 W337 I383 I424 M439 Q440 V443I334-L361 HydrophobicContact CG2-CD1 3.38Å; F335-L361 PolarHBondContact O-N 2.98Å; V336-L361 HydrophobicContact CG2-CD1 4.41Å; W337-L361 PolarHBondContact N-O 3.22Å; L361-I383 HydrophobicContact CB-CG2 4.35Å; L361-I383 HydrophobicContact CD2-CD1 3.81Å; L361-I383 HydrophobicContact CD2-CG2 3.87Å; L361-I424 HydrophobicContact CD1-CD1 3.94Å; L361-M439 HydrophobicContact CD1-CG 4.37Å; L361-Q440 HydrophobicContact CD2-CB 4.27Å; L361-Q440 HydrophobicContact CD2-CG 3.58Å; L361-Q440 HydrophobicContact CG-CG 3.91Å; L361-V443 HydrophobicContact CD2-CB 4.39Å; L361-V443 HydrophobicContact CD2-CG1 4.44Å; L361-V443 HydrophobicContact CD2-CG2 4.19Å
362S98.5Very high97.6Very high1 Ų116.8 Ų16.81%0.0078%0.083CC..EExtended strand (participates in β ladder)trans-77.1120.6174.7179.80000110.3W337 I383W337-S362 WeakPolarHBondContact O-CA 3.42Å; S362-I383 WeakPolarHBondContact O-CG2 3.37Å; S362-I383 PolarHBondContact O-N 3.15Å
363V98.8Very high97.6Very high2 Ų216.7 Ų16.71%0.0128%0.083CC..EExtended strand (participates in β ladder)trans-116.9127.7-173.8-178.30000110.6V336 W337 S339 A384 T386 A420V336-V363 HydrophobicContact CG1-CG2 3.89Å; W337-V363 PolarHBondContact O-N 3.4Å; S339-V363 WeakPolarHBondContact CB-O 3.31Å; S339-V363 PolarHBondContact N-O 3.11Å; S339-V363 PolarHBondContact OG-O 2.6Å; V363-A384 WeakPolarHBondContact CA-O 3.43Å; V363-T386 HydrophobicContact CG1-CG2 4.04Å; V363-A420 HydrophobicContact CB-CB 4.31Å; V363-A420 HydrophobicContact CG1-CB 3.89Å; V363-A420 HydrophobicContact CG2-CB 3.68Å
364S98.3Very high97.5Very high0 Ų021 Ų210%010%0.096CC..EExtended strand (participates in β ladder)trans-101.9-179.1177.766.20000113.3S339 T382 A384 T385 T386 S416 K470S339-S364 WeakPolarHBondContact OG-CA 3.47Å; S364-T382 WeakPolarHBondContact OG-CG2 3.43Å; S364-A384 PolarHBondContact N-O 2.91Å; S364-A384 PolarHBondContact OG-O 2.93Å; S364-T385 WeakPolarHBondContact O-CA 3.43Å; S364-T385 PolarHBondContact OG-OG1 3.49Å; S364-T385 VanDerWaalsContact OG-OG1 3.06Å; S364-T386 PolarHBondContact O-N 2.88Å; S364-S416 WeakPolarHBondContact O-CB 3.21Å; S364-K470 WeakPolarHBondContact CB-O 3.39Å; S364-K470 PolarHBondContact OG-O 3.17Å
365S98.1Very high97.3Very high0 Ų021 Ų210%010%0.096CC..EExtended strand (participates in β ladder)trans-119.4144.4-173-57.20000113.4P373 T386 T413 S416S365-P373 WeakPolarHBondContact O-CD 3.21Å; S365-T386 CarbonylContact C-O 3.57Å; S365-T386 WeakPolarHBondContact CA-O 3.42Å; S365-T413 WeakPolarHBondContact OG-CA 3.45Å; S365-T413 WeakPolarHBondContact OG-CG2 3.38Å; S365-S416 WeakPolarHBondContact CB-OG 3.42Å; S365-S416 WeakPolarHBondContact OG-CB 3.46Å; S365-S416 PolarHBondContact OG-OG 3.3Å
366A98.1Very high97.2Very high0 Ų021.3 Ų21.30%010%0.098CC..EExtended strand (participates in β ladder)trans-122.6152.2162.500000110.9R371 T385 T386 Y387 S388 L452 F471A366-R371 WeakPolarHBondContact CA-O 3.2Å; A366-T385 HydrophobicContact CB-CG2 3.72Å; A366-T386 PolarHBondContact N-O 3.01Å; A366-Y387 HydrophobicContact CB-CD1 4.04Å; A366-Y387 HydrophobicContact CB-CE1 4.13Å; A366-Y387 CarbonylContact O-C 3.52Å; A366-Y387 WeakPolarHBondContact O-CA 3.4Å; A366-Y387 WeakPolarHBondContact O-CD1 3.46Å; A366-S388 CarbonylContact O-C 3.45Å; A366-S388 PolarHBondContact O-N 3.18Å; A366-S388 VanDerWaalsContact O-O 3.08Å; A366-L452 HydrophobicContact CB-CD2 3.57Å; A366-F471 HydrophobicContact CB-CE1 4.35Å
367T97.2Very high97.2Very high2 Ų221.4 Ų21.41%0.01210%0.098CC..  trans-86.6172.1175.757.60000112.2D369 N370 R371 P373 Y387 A390T367-D369 WeakPolarHBondContact CB-OD1 3.38Å; T367-D369 PolarHBondContact O-N 3.43Å; T367-D369 PolarHBondContact OG1-OD1 3.12Å; T367-N370 WeakPolarHBondContact O-CA 3.25Å; T367-N370 PolarHBondContact O-N 3.19Å; T367-R371 PolarHBondContact N-O 3.45Å; T367-R371 WeakPolarHBondContact OG1-CB 3.49Å; T367-R371 PolarHBondContact OG1-N 2.89Å; T367-R371 PolarHBondContact OG1-O 2.67Å; T367-P373 HydrophobicContact CG2-CB 4.12Å; T367-P373 HydrophobicContact CG2-CG 4.47Å; T367-Y387 WeakPolarHBondContact O-CE1 3.31Å; T367-A390 HydrophobicContact CG2-CB 3.47Å; T367-A390 VanDerWaalsContact CG2-CB 3.47Å
368I97.1Very high97.2Very high36 Ų3623.7 Ų23.719%0.18511%0.107CC..THydrogen-bonded Turntrans-55.5-29.4173.9-169.5167.4000113.8W168 A174 Q175 N370 Q394 P395W168-I368 HydrophobicContact CB-CD1 4.41Å; W168-I368 HydrophobicContact CD2-CB 4.32Å; W168-I368 HydrophobicContact CD2-CD1 3.96Å; W168-I368 HydrophobicContact CD2-CG1 4.04Å; W168-I368 HydrophobicContact CE3-CB 4.1Å; W168-I368 HydrophobicContact CE3-CD1 4.21Å; W168-I368 HydrophobicContact CE3-CG1 3.8Å; W168-I368 HydrophobicContact CG-CD1 4.05Å; W168-I368 HydrophobicContact CH2-CB 3.92Å; W168-I368 HydrophobicContact CZ2-CB 4.15Å; W168-I368 HydrophobicContact CZ3-CB 3.91Å; W168-I368 HydrophobicContact CZ3-CG1 4.09Å; A174-I368 CarbonylContact C-O 3.18Å; A174-I368 WeakPolarHBondContact CA-O 3.15Å; A174-I368 WeakPolarHBondContact CB-O 3.28Å; Q175-I368 PolarHBondContact N-O 2.96Å; I368-N370 VanDerWaalsContact C-N 3.26Å; I368-N370 PolarHBondContact O-N 3.31Å; I368-Q394 HydrophobicContact CG2-CB 4.12Å; I368-Q394 HydrophobicContact CG2-CG 4.03Å; I368-P395 HydrophobicContact CD1-CG 3.37Å
369D96.6Very high97.2Very high52 Ų5223.5 Ų23.528%0.27811%0.106SC..THydrogen-bonded Turntrans-88.815.8174.761.1-40.7000113.4Q175 T367 R371 Q394Q175-D369 PolarHBondContact OE1-O 2.87Å; T367-D369 WeakPolarHBondContact CB-OD1 3.38Å; T367-D369 PolarHBondContact O-N 3.43Å; T367-D369 PolarHBondContact OG1-OD1 3.12Å; D369-R371 HydrophobicContact CB-CG 4.38Å; D369-R371 PolarHBondContact O-N 3.41Å; D369-R371 WeakPolarHBondContact OD2-CG 3.06Å; D369-Q394 PolarHBondContact OD1-NE2 3.44Å
370N97.6Very high97.2Very high9 Ų920.7 Ų20.75%0.04810%0.095CC..SBendtrans56.134.1-178.2-55-53.5000113.1Q175 T367 I368 Y387 P451 L452 N455Q175-N370 PolarHBondContact O-ND2 2.96Å; T367-N370 WeakPolarHBondContact O-CA 3.25Å; T367-N370 PolarHBondContact O-N 3.19Å; I368-N370 VanDerWaalsContact C-N 3.26Å; I368-N370 PolarHBondContact O-N 3.31Å; N370-Y387 PolarHBondContact OD1-OH 3.21Å; N370-P451 HydrophobicContact CB-CB 4.37Å; N370-P451 WeakPolarHBondContact CB-O 3.11Å; N370-L452 HydrophobicContact CB-CD2 4.07Å; N370-N455 PolarHBondContact O-ND2 3.11Å
371R97.1Very high97.2Very high116 Ų11620.4 Ų20.444%0.4389%0.093SC..  trans-104.2161.7176.9-60.7-66.2-110.3174.2-4.6110.9A366 T367 D369 N454 N455A366-R371 WeakPolarHBondContact CA-O 3.2Å; T367-R371 PolarHBondContact N-O 3.45Å; T367-R371 WeakPolarHBondContact OG1-CB 3.49Å; T367-R371 PolarHBondContact OG1-N 2.89Å; T367-R371 PolarHBondContact OG1-O 2.67Å; D369-R371 HydrophobicContact CB-CG 4.38Å; D369-R371 PolarHBondContact O-N 3.41Å; D369-R371 WeakPolarHBondContact OD2-CG 3.06Å; R371-N454 PolarHBondContact NH1-O 3.16Å; R371-N454 VanDerWaalsContact NH1-O 3.14Å; R371-N455 WeakPolarHBondContact CA-OD1 3.46Å
372S95.7Very high97.2Very high28 Ų2820.2 Ų20.220%0.1969%0.092CC..  trans-66.5126.1166.5178.10000108.4N455S372-N455 PolarHBondContact N-OD1 3.14Å
373P95.4Very high97.2Very high1 Ų120.3 Ų20.31%0.0069%0.093CC..  trans-60152.5164.414.6-14.2000109.6S365 T367 Y375 L376 A390S365-P373 WeakPolarHBondContact O-CD 3.21Å; T367-P373 HydrophobicContact CG2-CB 4.12Å; T367-P373 HydrophobicContact CG2-CG 4.47Å; P373-Y375 VanDerWaalsContact C-N 3.27Å; P373-Y375 HydrophobicContact CB-CD1 3.96Å; P373-Y375 HydrophobicContact CB-CD2 4.17Å; P373-Y375 HydrophobicContact CB-CE1 3.51Å; P373-Y375 HydrophobicContact CB-CE2 3.71Å; P373-Y375 HydrophobicContact CB-CG 4.27Å; P373-Y375 HydrophobicContact CG-CD2 4.34Å; P373-Y375 HydrophobicContact CG-CE1 4.28Å; P373-Y375 HydrophobicContact CG-CE2 3.63Å; P373-Y375 PolarHBondContact O-N 2.9Å; P373-L376 HydrophobicContact CG-CB 4.04Å; P373-L376 WeakPolarHBondContact O-CB 3.3Å; P373-L376 PolarHBondContact O-N 2.84Å; P373-A390 HydrophobicContact CB-CB 3.83Å
374W94.3Very high97.2Very high100 Ų10020.2 Ų20.238%0.3799%0.092SC..THydrogen-bonded Turntrans-70.4-24-175.958.6-99.9000112.9F118 G343 S344 L376 A390F118-W374 HydrophobicContact CD2-CH2 4.05Å; F118-W374 AromaticContact CD2-CZ2 4Å; F118-W374 HydrophobicContact CD2-CZ2 4Å; F118-W374 HydrophobicContact CE1-CH2 4.26Å; F118-W374 AromaticContact CE1-CZ2 3.92Å; F118-W374 HydrophobicContact CE1-CZ2 3.92Å; F118-W374 AromaticContact CE2-CH2 2.96Å; F118-W374 HydrophobicContact CE2-CH2 2.96Å; F118-W374 AromaticContact CE2-CZ2 3.2Å; F118-W374 HydrophobicContact CE2-CZ2 3.2Å; F118-W374 AromaticContact CE2-CZ3 3.94Å; F118-W374 HydrophobicContact CE2-CZ3 3.94Å; F118-W374 AromaticContact CZ-CH2 3.11Å; F118-W374 HydrophobicContact CZ-CH2 3.11Å; F118-W374 AromaticContact CZ-CZ2 3.17Å; F118-W374 HydrophobicContact CZ-CZ2 3.17Å; F118-W374 HydrophobicContact CZ-CZ3 4.38Å; G343-W374 CarbonylContact C-O 3.57Å; S344-W374 VanDerWaalsContact CB-CZ3 3.49Å; S344-W374 PolarHBondContact N-O 2.75Å; W374-L376 VanDerWaalsContact C-N 3.33Å; W374-A390 PolarHBondContact NE1-O 3.22Å
375Y94.3Very high97.3Very high1 Ų120.2 Ų20.20%0.0049%0.092CC..THydrogen-bonded Turntrans-81.9-10.8176.357.3-108.8000112.7F118 N341 G342 G343 P373 E377 S388 S389 T413F118-Y375 HydrophobicContact CD2-CD1 4.47Å; N341-Y375 CarbonylContact C-O 3.58Å; N341-Y375 WeakPolarHBondContact CA-O 3.34Å; N341-Y375 HydrophobicContact CB-CD2 4.24Å; N341-Y375 HydrophobicContact CB-CG 4.48Å; N341-Y375 WeakPolarHBondContact O-CB 3.47Å; N341-Y375 WeakPolarHBondContact OD1-CD2 3.35Å; G342-Y375 PolarHBondContact N-O 3.22Å; G343-Y375 WeakPolarHBondContact CA-O 3.4Å; G343-Y375 PolarHBondContact N-O 3.27Å; P373-Y375 VanDerWaalsContact C-N 3.27Å; P373-Y375 HydrophobicContact CB-CD1 3.96Å; P373-Y375 HydrophobicContact CB-CD2 4.17Å; P373-Y375 HydrophobicContact CB-CE1 3.51Å; P373-Y375 HydrophobicContact CB-CE2 3.71Å; P373-Y375 HydrophobicContact CB-CG 4.27Å; P373-Y375 HydrophobicContact CG-CD2 4.34Å; P373-Y375 HydrophobicContact CG-CE1 4.28Å; P373-Y375 HydrophobicContact CG-CE2 3.63Å; P373-Y375 PolarHBondContact O-N 2.9Å; Y375-E377 PolarHBondContact O-N 2.99Å; Y375-S388 WeakPolarHBondContact OH-CB 3.34Å; Y375-S388 PolarHBondContact OH-OG 2.73Å; Y375-S388 VanDerWaalsContact OH-OG 3.14Å; Y375-S389 WeakPolarHBondContact CE1-O 3.45Å; Y375-S389 VanDerWaalsContact CZ-O 3.22Å; Y375-S389 PolarHBondContact OH-O 3.08Å; Y375-T413 HydrophobicContact CE2-CG2 4.35Å
376L96.4Very high97.3Very high7 Ų720.2 Ų20.24%0.0379%0.092CC..  trans-66.4126.1-171.3-175.264.9000112.2S339 G343 P373 W374 T413 K470 F471S339-L376 WeakPolarHBondContact OG-CD1 3.36Å; G343-L376 WeakPolarHBondContact CA-O 3.38Å; P373-L376 HydrophobicContact CG-CB 4.04Å; P373-L376 WeakPolarHBondContact O-CB 3.3Å; P373-L376 PolarHBondContact O-N 2.84Å; W374-L376 VanDerWaalsContact C-N 3.33Å; L376-T413 HydrophobicContact CD1-CG2 3.88Å; L376-K470 HydrophobicContact CD2-CB 3.95Å; L376-K470 HydrophobicContact CD2-CG 4.49Å; L376-F471 HydrophobicContact CD2-CE1 4.49Å
377E97.4Very high97.3Very high3 Ų320.2 Ų20.21%0.0149%0.092CC..  trans-78.2143.7169-65.9177.8-140.500111.7R116 G340 N341 G342 D347 C349 Y375R116-E377 IonicContact NH1-OE1 3.56Å; R116-E377 PolarHBondContact NH1-OE1 2.98Å; G340-E377 WeakPolarHBondContact CA-OE1 3.36Å; G340-E377 PolarHBondContact O-N 3.04Å; N341-E377 PolarHBondContact N-OE1 3.22Å; N341-E377 VanDerWaalsContact N-OE1 3.09Å; G342-E377 PolarHBondContact N-OE1 2.83Å; D347-E377 HydrophobicContact CB-CG 4.13Å; C349-E377 WeakPolarHBondContact CA-OE2 3.46Å; C349-E377 HydrophobicContact CB-CB 4.13Å; C349-E377 PolarHBondContact N-OE2 3.34Å; Y375-E377 PolarHBondContact O-N 2.99Å
378E97.2Very high97.3Very high64 Ų6420.1 Ų20.130%0.2999%0.091SC..  trans-110.2131.917972.3-177-171.400111.7S348 N469 K470 P568S348-E378 PolarHBondContact OG-O 3.41Å; E378-N469 WeakPolarHBondContact CA-O 3.36Å; E378-N469 HydrophobicContact CB-CB 4.15Å; E378-K470 HydrophobicContact CB-CG 3.71Å; E378-K470 WeakPolarHBondContact OE2-CE 3.27Å; E378-K470 IonicContact OE2-NZ 3.69Å; E378-P568 HydrophobicContact CG-CG 4.3Å
379C98Very high97.1Very high0 Ų018.8 Ų18.80%09%0.085CC..  trans-162.9156.3173.663.60000111.4C349 S350 S381 T382 N469C349-C379 HydrophobicContact CB-CB 4.02Å; C349-C379 WeakPolarHBondContact CB-SG 3.47Å; C349-C379 WeakPolarHBondContact SG-CB 3.18Å; C349-C379 PolarHBondContact SG-N 3.38Å; C349-C379 VanDerWaalsContact SG-N 3.41Å; C349-C379 CovalentContact SG-SG 2.01Å; C349-C379 PolarHBondContact SG-SG 3.26Å; S350-C379 WeakPolarHBondContact OG-CB 3.33Å; C379-S381 PolarHBondContact O-N 3.5Å; C379-S381 PolarHBondContact SG-OG 3.04Å; C379-T382 PolarHBondContact O-N 2.95Å; C379-N469 PolarHBondContact N-O 2.87Å
380P98.5Very high96.6Very high0 Ų016.9 Ų16.90%08%0.076CC..THydrogen-bonded Turntrans-81.13.6-178.830.5-27.9000113.7V565 L566 L585 S586 V587 Q588P380-V565 VanDerWaalsContact CD-O 3.28Å; P380-V565 WeakPolarHBondContact CD-O 3.46Å; P380-V565 WeakPolarHBondContact CG-O 3.34Å; P380-L566 HydrophobicContact CG-CD2 3.9Å; P380-L585 WeakPolarHBondContact CG-O 3.42Å; P380-S586 WeakPolarHBondContact O-CA 3.34Å; P380-V587 WeakPolarHBondContact O-CG2 3.24Å; P380-V587 PolarHBondContact O-N 3.1Å; P380-Q588 HydrophobicContact CB-CG 4.05Å
381S98.4Very high95.9Very high3 Ų320.5 Ų20.52%0.02110%0.096CC..THydrogen-bonded Turntrans-84.9-18.9171.165.90000113.4T355 C379 I383 L585T355-S381 WeakPolarHBondContact O-CB 3.17Å; T355-S381 PolarHBondContact O-OG 3.05Å; T355-S381 VanDerWaalsContact O-OG 3.05Å; C379-S381 PolarHBondContact O-N 3.5Å; C379-S381 PolarHBondContact SG-OG 3.04Å; S381-I383 PolarHBondContact O-N 2.71Å; S381-L585 PolarHBondContact N-O 3.23Å
382T98.7Very high94.9Very high0 Ų021.4 Ų21.40%011%0.107CC..EExtended strand (participates in β ladder)trans-57.7120.1171.4-61.30000110.2S364 C379 G472S364-T382 WeakPolarHBondContact OG-CG2 3.43Å; C379-T382 PolarHBondContact O-N 2.95Å; T382-G472 WeakPolarHBondContact O-CA 3.34Å
383I98.8Very high94.4Very high3 Ų327.8 Ų27.82%0.01514%0.139CC..EExtended strand (participates in β ladder)trans-92.2-37.8-175.6-159.1174.9000112.2L361 S362 S381 Q440 V443 L444 Y473 V587 W590L361-I383 HydrophobicContact CB-CG2 4.35Å; L361-I383 HydrophobicContact CD2-CD1 3.81Å; L361-I383 HydrophobicContact CD2-CG2 3.87Å; S362-I383 WeakPolarHBondContact O-CG2 3.37Å; S362-I383 PolarHBondContact O-N 3.15Å; S381-I383 PolarHBondContact O-N 2.71Å; I383-Q440 HydrophobicContact CD1-CB 3.86Å; I383-Q440 HydrophobicContact CD1-CG 4.07Å; I383-V443 HydrophobicContact CG2-CG1 4.12Å; I383-L444 HydrophobicContact CD1-CB 4.41Å; I383-L444 HydrophobicContact CD1-CD2 4.2Å; I383-L444 HydrophobicContact CG1-CB 4.06Å; I383-L444 HydrophobicContact CG1-CD2 4.46Å; I383-Y473 WeakPolarHBondContact O-CD2 3.35Å; I383-Y473 PolarHBondContact O-N 3.08Å; I383-V587 HydrophobicContact CB-CG2 4.38Å; I383-V587 HydrophobicContact CG1-CG2 4.35Å; I383-W590 HydrophobicContact CD1-CZ3 4.47Å
384A98.8Very high94.1Very high0 Ų029.5 Ų29.50%015%0.146CC..EExtended strand (participates in β ladder)trans-156.7172.7-177.900000110.9V363 S364 V443 M476V363-A384 WeakPolarHBondContact CA-O 3.43Å; S364-A384 PolarHBondContact N-O 2.91Å; S364-A384 PolarHBondContact OG-O 2.93Å; A384-V443 HydrophobicContact CB-CG1 3.66Å; A384-M476 HydrophobicContact CB-CG 3.69Å; A384-M476 HydrophobicContact CB-SD 4.39Å
385T98.9Very high94.1Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-119.5144.3-178.7-53.40000110.2S364 A366 L452 F471 G474 L475 M476S364-T385 WeakPolarHBondContact O-CA 3.43Å; S364-T385 PolarHBondContact OG-OG1 3.49Å; S364-T385 VanDerWaalsContact OG-OG1 3.06Å; A366-T385 HydrophobicContact CB-CG2 3.72Å; T385-L452 HydrophobicContact CG2-CD1 4.18Å; T385-F471 HydrophobicContact CG2-CD1 3.94Å; T385-F471 VanDerWaalsContact OG1-C 3.28Å; T385-F471 WeakPolarHBondContact OG1-CA 3.26Å; T385-F471 WeakPolarHBondContact OG1-CB 3.12Å; T385-F471 PolarHBondContact OG1-O 3.39Å; T385-G474 PolarHBondContact N-O 3.4Å; T385-L475 CarbonylContact O-C 3.53Å; T385-L475 VanDerWaalsContact O-CA 3.31Å; T385-L475 WeakPolarHBondContact O-CA 3.31Å; T385-M476 PolarHBondContact O-N 3.08Å
386T98.8Very high94.2Very high0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-122.5177.6160.455.20000109.4M180 V363 S364 S365 A366 S416 L419 A420 I423 M476M180-T386 HydrophobicContact SD-CG2 3.86Å; V363-T386 HydrophobicContact CG1-CG2 4.04Å; S364-T386 PolarHBondContact O-N 2.88Å; S365-T386 CarbonylContact C-O 3.57Å; S365-T386 WeakPolarHBondContact CA-O 3.42Å; A366-T386 PolarHBondContact N-O 3.01Å; T386-S416 WeakPolarHBondContact OG1-CA 3.41Å; T386-S416 WeakPolarHBondContact OG1-CB 3.44Å; T386-S416 PolarHBondContact OG1-O 2.85Å; T386-S416 PolarHBondContact OG1-OG 2.96Å; T386-L419 HydrophobicContact CG2-CB 4.36Å; T386-A420 HydrophobicContact CG2-CB 3.89Å; T386-I423 HydrophobicContact CG2-CD1 4.41Å; T386-M476 HydrophobicContact CG2-CB 4.12Å; T386-M476 HydrophobicContact CG2-CG 4.01Å; T386-M476 HydrophobicContact CG2-SD 3.71Å
387Y98.5Very high94.2Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-78.8154.5178.6-75.8-63.1000112.6W168 A174 M180 A366 T367 N370 S416 L419 L475W168-Y387 AromaticContact CH2-CD1 3.68Å; W168-Y387 HydrophobicContact CH2-CD1 3.68Å; W168-Y387 AromaticContact CH2-CG 3.75Å; W168-Y387 HydrophobicContact CH2-CG 3.75Å; W168-Y387 AromaticContact CZ3-CD1 3.52Å; W168-Y387 HydrophobicContact CZ3-CD1 3.52Å; W168-Y387 HydrophobicContact CZ3-CD2 4.07Å; W168-Y387 AromaticContact CZ3-CE1 4Å; W168-Y387 HydrophobicContact CZ3-CE1 4Å; W168-Y387 HydrophobicContact CZ3-CE2 4.5Å; W168-Y387 AromaticContact CZ3-CG 3.56Å; W168-Y387 HydrophobicContact CZ3-CG 3.56Å; A174-Y387 HydrophobicContact CB-CE1 4.02Å; A174-Y387 HydrophobicContact CB-CE2 4.38Å; A174-Y387 WeakPolarHBondContact CB-OH 3.15Å; M180-Y387 HydrophobicContact CG-CD2 3.72Å; M180-Y387 HydrophobicContact CG-CE2 4.07Å; M180-Y387 HydrophobicContact SD-CD2 4.2Å; A366-Y387 HydrophobicContact CB-CD1 4.04Å; A366-Y387 HydrophobicContact CB-CE1 4.13Å; A366-Y387 CarbonylContact O-C 3.52Å; A366-Y387 WeakPolarHBondContact O-CA 3.4Å; A366-Y387 WeakPolarHBondContact O-CD1 3.46Å; T367-Y387 WeakPolarHBondContact O-CE1 3.31Å; N370-Y387 PolarHBondContact OD1-OH 3.21Å; Y387-S416 PolarHBondContact O-OG 2.74Å; Y387-S416 VanDerWaalsContact O-OG 3.08Å; Y387-L419 WeakPolarHBondContact O-CD1 3.43Å; Y387-L475 HydrophobicContact CD1-CD1 4.44Å; Y387-L475 HydrophobicContact CD2-CD1 3.94Å; Y387-L475 HydrophobicContact CD2-CD2 4.44Å; Y387-L475 HydrophobicContact CE1-CD1 4.27Å; Y387-L475 HydrophobicContact CE2-CD1 3.72Å; Y387-L475 HydrophobicContact CE2-CD2 3.49Å; Y387-L475 VanDerWaalsContact CE2-CD2 3.49Å; Y387-L475 HydrophobicContact CE2-CG 4.22Å; Y387-L475 HydrophobicContact CG-CD1 4.28Å; Y387-L475 WeakPolarHBondContact OH-CD2 3.49Å
388S96.9Very high94.2Very high0 Ų028 Ų280%015%0.151CC..  trans-156.3-159.6166.5-169.50000107.6W168 A366 Y375 G412W168-S388 WeakPolarHBondContact CH2-O 3.43Å; A366-S388 CarbonylContact O-C 3.45Å; A366-S388 PolarHBondContact O-N 3.18Å; A366-S388 VanDerWaalsContact O-O 3.08Å; Y375-S388 WeakPolarHBondContact OH-CB 3.34Å; Y375-S388 PolarHBondContact OH-OG 2.73Å; Y375-S388 VanDerWaalsContact OH-OG 3.14Å; S388-G412 WeakPolarHBondContact CB-O 3.48Å; S388-G412 PolarHBondContact OG-N 3.34Å; S388-G412 VanDerWaalsContact OG-N 3.16Å; S388-G412 PolarHBondContact OG-O 3.05Å
389S92.6Very high94.3Very high7 Ų725.1 Ų25.15%0.04914%0.138CC..  trans-130.3170.2175.5640000112.3Y375 A396 T411Y375-S389 WeakPolarHBondContact CE1-O 3.45Å; Y375-S389 VanDerWaalsContact CZ-O 3.22Å; Y375-S389 PolarHBondContact OH-O 3.08Å; S389-A396 WeakPolarHBondContact OG-CB 3.4Å; S389-T411 PolarHBondContact O-OG1 3.24Å; S389-T411 VanDerWaalsContact OG-CB 3.26Å; S389-T411 WeakPolarHBondContact OG-CB 3.29Å; S389-T411 PolarHBondContact OG-OG1 2.87Å
390A86Confident94.2Very high12 Ų1225.1 Ų25.110%0.09914%0.138CC..  trans-130.2-47.5-179.500000113.5T367 P373 W374T367-A390 HydrophobicContact CG2-CB 3.47Å; T367-A390 VanDerWaalsContact CG2-CB 3.47Å; P373-A390 HydrophobicContact CB-CB 3.83Å; W374-A390 PolarHBondContact NE1-O 3.22Å
391N82.6Confident94.1Very high86 Ų8626.2 Ų26.246%0.4614%0.144SC..SBendtrans-112.6148.4-171.3-59.8-47.9000110.3N393 Q394N391-N393 PolarHBondContact O-N 3.31Å; N391-N393 VanDerWaalsContact O-N 3.09Å; N391-Q394 HydrophobicContact CB-CG 4.32Å; N391-Q394 WeakPolarHBondContact O-CB 3.4Å; N391-Q394 PolarHBondContact O-N 2.9Å
392M76.5Confident93.8Very high135 Ų13527.3 Ų27.367%0.66515%0.151SC*.THydrogen-bonded Turntrans-59.9-22.9177.5-59.4-158.5-4800113.8Y120 Q394Y120-M392 HydrophobicContact CD1-SD 4.19Å; Y120-M392 HydrophobicContact CD2-CG 4.01Å; Y120-M392 HydrophobicContact CD2-SD 4.06Å; Y120-M392 HydrophobicContact CE1-SD 4.3Å; Y120-M392 HydrophobicContact CE2-CG 3.88Å; Y120-M392 HydrophobicContact CE2-SD 4.17Å; Y120-M392 HydrophobicContact CG-SD 4.1Å; M392-Q394 VanDerWaalsContact C-N 3.29Å
393N85.4Confident93.2Very high161 Ų16129.7 Ų29.786%0.86117%0.166SC*.THydrogen-bonded Turntrans-85.7-0.7178-61.2-8000113.1N391N391-N393 PolarHBondContact O-N 3.31Å; N391-N393 VanDerWaalsContact O-N 3.09Å
394Q89.8Confident92.8Very high37 Ų3736.4 Ų36.417%0.17320%0.197CC..SBendtrans-105.2142.9174.2-68.3179.9-32.300108.8I368 D369 N391 M392 A396I368-Q394 HydrophobicContact CG2-CB 4.12Å; I368-Q394 HydrophobicContact CG2-CG 4.03Å; D369-Q394 PolarHBondContact OD1-NE2 3.44Å; N391-Q394 HydrophobicContact CB-CG 4.32Å; N391-Q394 WeakPolarHBondContact O-CB 3.4Å; N391-Q394 PolarHBondContact O-N 2.9Å; M392-Q394 VanDerWaalsContact C-N 3.29Å; Q394-A396 PolarHBondContact O-N 3.01Å
395P94.3Very high92.6Very high65 Ų6537.2 Ų37.242%0.42221%0.206SC..  trans-61.7137.7173.728.4-35.6000110W168 I368W168-P395 HydrophobicContact CG-CG 4.42Å; I368-P395 HydrophobicContact CD1-CG 3.37Å
396A95.4Very high92.5Very high11 Ų1139.3 Ų39.39%0.09122%0.22CC..  trans-90.7-164.9175.100000111.4W168 S389 Q394 R408 H410W168-A396 PolarHBondContact NE1-O 3.41Å; W168-A396 VanDerWaalsContact NE1-O 3.08Å; S389-A396 WeakPolarHBondContact OG-CB 3.4Å; Q394-A396 PolarHBondContact O-N 3.01Å; A396-R408 WeakPolarHBondContact CB-O 3.11Å; A396-H410 WeakPolarHBondContact CB-O 3.18Å
397I97Very high92.3Very high0 Ų039.6 Ų39.60%022%0.222CC..EExtended strand (participates in β ladder)trans-89.8129.4177.6-55.2-56.4000109.1W168 Y169 E247 H410 A415 L419W168-I397 HydrophobicContact CZ2-CD1 3.94Å; Y169-I397 HydrophobicContact CD1-CD1 3.39Å; Y169-I397 HydrophobicContact CE1-CB 4.31Å; Y169-I397 HydrophobicContact CE1-CD1 3.63Å; Y169-I397 HydrophobicContact CE1-CG2 3.83Å; Y169-I397 HydrophobicContact CE2-CG2 4.36Å; Y169-I397 HydrophobicContact CG-CD1 3.92Å; E247-I397 HydrophobicContact CG-CG2 4.01Å; E247-I397 VanDerWaalsContact OE2-CG2 3.28Å; E247-I397 WeakPolarHBondContact OE2-CG2 3.49Å; I397-H410 HydrophobicContact CB-CB 4.46Å; I397-H410 WeakPolarHBondContact CB-O 3.47Å; I397-H410 PolarHBondContact N-O 2.91Å; I397-H410 WeakPolarHBondContact O-CB 3.4Å; I397-H410 PolarHBondContact O-N 2.67Å; I397-A415 HydrophobicContact CB-CB 3.99Å; I397-A415 HydrophobicContact CG1-CB 3.66Å; I397-A415 HydrophobicContact CG2-CB 4.3Å; I397-L419 HydrophobicContact CD1-CD1 4.41Å; I397-L419 HydrophobicContact CG2-CD1 4.49Å
398I97.9Very high92.1Very high5 Ų545 Ų453%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-86.9132.9178-74.2161000109.6L163 E166 Q167 Y169 T407 R408L163-I398 HydrophobicContact CB-CD1 4.32Å; L163-I398 HydrophobicContact CB-CG2 3.68Å; L163-I398 HydrophobicContact CD1-CG2 3.8Å; L163-I398 HydrophobicContact CG-CG2 4.4Å; E166-I398 VanDerWaalsContact C-CD1 3.47Å; E166-I398 HydrophobicContact CB-CD1 3.27Å; Q167-I398 HydrophobicContact CG-CB 3.96Å; Q167-I398 HydrophobicContact CG-CD1 4.3Å; Q167-I398 HydrophobicContact CG-CG2 4.06Å; Y169-I398 PolarHBondContact OH-O 3.1Å; I398-T407 WeakPolarHBondContact CA-O 3.41Å; I398-R408 HydrophobicContact CD1-CG 4.49Å; I398-R408 HydrophobicContact CG1-CB 4.36Å; I398-R408 HydrophobicContact CG1-CG 4.03Å
399T98Very high91.9Very high3 Ų347 Ų472%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-161.9-177.8176.9-173.60000110R243 G246 E247 C406 T407 H410R243-T399 HydrophobicContact CB-CG2 3.7Å; R243-T399 HydrophobicContact CG-CG2 4.01Å; R243-T399 WeakPolarHBondContact O-CB 3.4Å; R243-T399 WeakPolarHBondContact O-CG2 3.08Å; R243-T399 PolarHBondContact O-OG1 3.4Å; G246-T399 VanDerWaalsContact C-OG1 3.31Å; G246-T399 VanDerWaalsContact CA-OG1 3.25Å; G246-T399 WeakPolarHBondContact CA-OG1 3.3Å; E247-T399 HydrophobicContact CG-CG2 4.33Å; E247-T399 PolarHBondContact N-OG1 3.27Å; E247-T399 VanDerWaalsContact N-OG1 3.17Å; T399-C406 CarbonylContact O-C 3.56Å; T399-C406 WeakPolarHBondContact O-CA 3.39Å; T399-T407 HydrophobicContact CG2-CG2 3.63Å; T399-T407 PolarHBondContact N-O 3.11Å; T399-T407 PolarHBondContact O-N 3.28Å; T399-H410 HydrophobicContact CG2-CB 3.8Å
400V97.4Very high92Very high0 Ų047 Ų470%026%0.255CS..EExtended strand (participates in β ladder)trans-68.1164173-58.80000111.8H208 D210 L211 T242 R243 S250H208-V400 VanDerWaalsContact CE1-CB 3.5Å; H208-V400 WeakPolarHBondContact CE1-CB 3.45Å; H208-V400 VanDerWaalsContact CE1-CG1 3.43Å; H208-V400 WeakPolarHBondContact CE1-CG1 2.9Å; D210-V400 HydrophobicContact CB-CG1 3.7Å; D210-V400 WeakPolarHBondContact OD2-CG1 3.2Å; L211-V400 HydrophobicContact CD1-CG2 4.05Å; L211-V400 HydrophobicContact CG-CG1 4.49Å; L211-V400 HydrophobicContact CG-CG2 4.41Å; T242-V400 HydrophobicContact CG2-CG2 3.76Å; T242-V400 WeakPolarHBondContact O-CG2 3.22Å; R243-V400 VanDerWaalsContact CG-O 3.27Å; R243-V400 WeakPolarHBondContact CG-O 2.98Å; S250-V400 VanDerWaalsContact OG-CG1 3.28Å; S250-V400 WeakPolarHBondContact OG-CG1 3.31Å
401D95.1Very high92.4Very high22 Ų2247.5 Ų47.512%0.11826%0.257CS..  trans-140.5163.3174.3-147.3-3.6000111.8H208 R243 H404 G405 T407H208-D401 PolarHBondContact CD2-O 3.45Å; H208-D401 PolarHBondContact NE2-O 2.91Å; R243-D401 IonicContact CZ-OD1 3.57Å; R243-D401 IonicContact CZ-OD2 2.9Å; R243-D401 IonicContact NE-OD1 3.62Å; R243-D401 PolarHBondContact NE-OD1 3.45Å; R243-D401 IonicContact NE-OD2 2.7Å; R243-D401 VanDerWaalsContact NH2-CG 3.35Å; R243-D401 IonicContact NH2-OD1 2.62Å; R243-D401 PolarHBondContact NH2-OD1 3.04Å; R243-D401 IonicContact NH2-OD2 2.72Å; R243-D401 PolarHBondContact NH2-OD2 2.98Å; D401-H404 CarbonylContact O-C 3.55Å; D401-G405 PolarHBondContact N-O 3.22Å; D401-T407 WeakPolarHBondContact OD2-CB 3.33Å
402V91.7Very high92.9Very high27 Ų2743.4 Ų43.416%0.16424%0.235CC..SBendtrans-113.9152.8178.6-54.60000111.4Q205 K239 T242Q205-V402 HydrophobicContact CB-CG1 3.85Å; K239-V402 VanDerWaalsContact CA-CG2 3.45Å; K239-V402 HydrophobicContact CB-CG2 3.33Å; T242-V402 VanDerWaalsContact CB-CG1 3.41Å; T242-V402 HydrophobicContact CG2-CG1 3.39Å; T242-V402 WeakPolarHBondContact OG1-CG1 3.4Å
403P87.7Confident93.9Very high50 Ų5037 Ų3733%0.32520%0.203SC..SBendcis-72.8-10.3-4.629.7-35.6000113.8Q205Q205-P403 PolarHBondContact NE2-O 3.07Å; Q205-P403 PolarHBondContact OE1-O 3.3Å
404H88.9Confident94.4Very high143 Ų14329.3 Ų29.366%0.66216%0.162SC*.SBendtrans-149.6151.4-179.5-54-55000112.1D401D401-H404 CarbonylContact O-C 3.55Å
405G94.6Very high94.7Very high18 Ų1827.5 Ų27.519%0.18615%0.154CC..SBendtrans95.5-147.7160.900000114.1H208 C257 D401H208-G405 PolarHBondContact NE2-O 3.33Å; H208-G405 VanDerWaalsContact NE2-O 3.11Å; C257-G405 PolarHBondContact SG-O 3.11Å; C257-G405 VanDerWaalsContact SG-O 3.33Å; D401-G405 PolarHBondContact N-O 3.22Å
406C97.1Very high94.9Very high44 Ų4424.4 Ų24.430%0.29713%0.134SC..EExtended strand (participates in β ladder)trans-136.2152-171-36.20000109.7L163 C257 T399L163-C406 HydrophobicContact CD1-CB 3.57Å; C257-C406 WeakPolarHBondContact CA-SG 3.08Å; C257-C406 HydrophobicContact CB-CB 3.78Å; C257-C406 WeakPolarHBondContact CB-SG 3.41Å; C257-C406 VanDerWaalsContact SG-CA 3.58Å; C257-C406 WeakPolarHBondContact SG-CB 3.18Å; C257-C406 CovalentContact SG-SG 2.02Å; C257-C406 PolarHBondContact SG-SG 2.94Å; T399-C406 CarbonylContact O-C 3.56Å; T399-C406 WeakPolarHBondContact O-CA 3.39Å
407T95.1Very high95.1Very high6 Ų623.9 Ų23.94%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-117.5148.7171.3-171.80000111.3R243 I398 T399 D401 S409 H410R243-T407 HydrophobicContact CG-CG2 4.06Å; I398-T407 WeakPolarHBondContact CA-O 3.41Å; T399-T407 HydrophobicContact CG2-CG2 3.63Å; T399-T407 PolarHBondContact N-O 3.11Å; T399-T407 PolarHBondContact O-N 3.28Å; D401-T407 WeakPolarHBondContact OD2-CB 3.33Å; T407-S409 PolarHBondContact OG1-N 3.06Å; T407-S409 VanDerWaalsContact OG1-N 3.13Å; T407-H410 HydrophobicContact CG2-CB 4.1Å
408R94.9Very high95.2Very high114 Ų11423.9 Ų23.943%0.4313%0.13SC..EExtended strand (participates in β ladder)trans-1078.8169-67.7179.4172.778.1-7.9112.1L163 E166 A396 I398L163-R408 VanDerWaalsContact CD2-CZ 3.44Å; E166-R408 IonicContact OE1-CZ 3.62Å; E166-R408 IonicContact OE1-NE 3.47Å; E166-R408 PolarHBondContact OE1-NE 3.4Å; E166-R408 IonicContact OE1-NH2 2.89Å; E166-R408 PolarHBondContact OE1-NH2 3.41Å; E166-R408 IonicContact OE2-CZ 3.72Å; E166-R408 IonicContact OE2-NE 2.82Å; E166-R408 PolarHBondContact OE2-NE 2.64Å; E166-R408 IonicContact OE2-NH2 3.71Å; A396-R408 WeakPolarHBondContact CB-O 3.11Å; I398-R408 HydrophobicContact CD1-CG 4.49Å; I398-R408 HydrophobicContact CG1-CB 4.36Å; I398-R408 HydrophobicContact CG1-CG 4.03Å
409S92.8Very high95.2Very high42 Ų4223.7 Ų23.729%0.29413%0.129SC..EExtended strand (participates in β ladder)trans-123.910.7-163.3-61.50000113.1A124 T407A124-S409 WeakPolarHBondContact CB-OG 3.22Å; T407-S409 PolarHBondContact OG1-N 3.06Å; T407-S409 VanDerWaalsContact OG1-N 3.13Å
410H94.4Very high95.3Very high5 Ų523.6 Ų23.62%0.02313%0.128CC..EExtended strand (participates in β ladder)trans-70.3137.7175-166.757.2000111E247 A396 I397 T399 T407 A415E247-H410 IonicContact OE1-CD2 3.5Å; E247-H410 PolarHBondContact OE1-CD2 2.49Å; E247-H410 IonicContact OE1-NE2 3.22Å; E247-H410 PolarHBondContact OE1-NE2 2.81Å; A396-H410 WeakPolarHBondContact CB-O 3.18Å; I397-H410 HydrophobicContact CB-CB 4.46Å; I397-H410 WeakPolarHBondContact CB-O 3.47Å; I397-H410 PolarHBondContact N-O 2.91Å; I397-H410 WeakPolarHBondContact O-CB 3.4Å; I397-H410 PolarHBondContact O-N 2.67Å; T399-H410 HydrophobicContact CG2-CB 3.8Å; T407-H410 HydrophobicContact CG2-CB 4.1Å; H410-A415 VanDerWaalsContact CD2-CB 3.49Å; H410-A415 WeakPolarHBondContact CD2-CB 3.23Å
411T93.7Very high95.3Very high23 Ų2323.6 Ų23.614%0.14113%0.128CC..  trans-160-175.8-165.8-169.90000111.6F118 S389F118-T411 HydrophobicContact CB-CG2 3.55Å; S389-T411 PolarHBondContact O-OG1 3.24Å; S389-T411 VanDerWaalsContact OG-CB 3.26Å; S389-T411 WeakPolarHBondContact OG-CB 3.29Å; S389-T411 PolarHBondContact OG-OG1 2.87Å
412G94.3Very high95.5Very high0 Ų022.5 Ų22.50%012%0.122CC..SBendtrans81.7178.8-175.200000111.8S388 S414 A415S388-G412 WeakPolarHBondContact CB-O 3.48Å; S388-G412 PolarHBondContact OG-N 3.34Å; S388-G412 VanDerWaalsContact OG-N 3.16Å; S388-G412 PolarHBondContact OG-O 3.05Å; G412-S414 PolarHBondContact O-N 3.4Å; G412-A415 PolarHBondContact O-N 2.99Å
413T95.9Very high95.9Very high0 Ų021.3 Ų21.30%012%0.115CC..Hα-helixtrans-64-14.1167.651.30000112.2R116 G340 N341 S365 Y375 L376 A415 S416 A417R116-T413 VanDerWaalsContact CB-OG1 3.28Å; R116-T413 WeakPolarHBondContact CB-OG1 3.2Å; G340-T413 WeakPolarHBondContact CA-OG1 3.34Å; G340-T413 PolarHBondContact N-OG1 2.94Å; G340-T413 VanDerWaalsContact N-OG1 3.15Å; G340-T413 WeakPolarHBondContact O-CG2 3.37Å; N341-T413 PolarHBondContact OD1-N 3.32Å; N341-T413 PolarHBondContact OD1-OG1 2.98Å; S365-T413 WeakPolarHBondContact OG-CA 3.45Å; S365-T413 WeakPolarHBondContact OG-CG2 3.38Å; Y375-T413 HydrophobicContact CE2-CG2 4.35Å; L376-T413 HydrophobicContact CD1-CG2 3.88Å; T413-A415 VanDerWaalsContact C-N 3.31Å; T413-A415 PolarHBondContact O-N 2.96Å; T413-S416 WeakPolarHBondContact O-CB 3.18Å; T413-S416 PolarHBondContact O-N 3Å; T413-A417 PolarHBondContact O-N 2.88Å; T413-A417 VanDerWaalsContact O-N 3.09Å
414S95.8Very high96.4Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-60.1-30.9169.4-73.70000116R116 D117 H240 S299 G412 P418R116-S414 WeakPolarHBondContact CA-OG 3.35Å; R116-S414 PolarHBondContact N-OG 3.03Å; R116-S414 VanDerWaalsContact O-CB 3.32Å; R116-S414 WeakPolarHBondContact O-CB 3.08Å; R116-S414 PolarHBondContact O-N 3.42Å; R116-S414 PolarHBondContact O-OG 3.45Å; D117-S414 PolarHBondContact N-OG 3.23Å; H240-S414 PolarHBondContact CE1-OG 2.89Å; H240-S414 WeakPolarHBondContact NE2-CB 3.42Å; H240-S414 PolarHBondContact NE2-OG 2.96Å; S299-S414 WeakPolarHBondContact CB-OG 3.31Å; S299-S414 PolarHBondContact O-OG 3.24Å; S299-S414 PolarHBondContact OG-O 3.44Å; G412-S414 PolarHBondContact O-N 3.4Å; S414-P418 WeakPolarHBondContact O-CD 3.4Å; S414-P418 WeakPolarHBondContact O-CG 3.49Å
415A97.5Very high96.9Very high0 Ų012.1 Ų12.10%07%0.068CC..Hα-helixtrans-79.1-30.8171.500000110.9E247 I397 H410 G412 T413 P418 L419E247-A415 VanDerWaalsContact OE2-CA 3.28Å; E247-A415 WeakPolarHBondContact OE2-CA 3.2Å; E247-A415 WeakPolarHBondContact OE2-CB 3.48Å; I397-A415 HydrophobicContact CB-CB 3.99Å; I397-A415 HydrophobicContact CG1-CB 3.66Å; I397-A415 HydrophobicContact CG2-CB 4.3Å; H410-A415 VanDerWaalsContact CD2-CB 3.49Å; H410-A415 WeakPolarHBondContact CD2-CB 3.23Å; G412-A415 PolarHBondContact O-N 2.99Å; T413-A415 VanDerWaalsContact C-N 3.31Å; T413-A415 PolarHBondContact O-N 2.96Å; A415-P418 WeakPolarHBondContact O-CD 3.44Å; A415-P418 WeakPolarHBondContact O-CG 3.49Å; A415-L419 WeakPolarHBondContact O-CD1 3.48Å; A415-L419 WeakPolarHBondContact O-CG 3.45Å; A415-L419 PolarHBondContact O-N 3.39Å
416S98.4Very high97.1Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-70.8-42.7-175.3-680000113.9S364 S365 T386 Y387 T413 A420S364-S416 WeakPolarHBondContact O-CB 3.21Å; S365-S416 WeakPolarHBondContact CB-OG 3.42Å; S365-S416 WeakPolarHBondContact OG-CB 3.46Å; S365-S416 PolarHBondContact OG-OG 3.3Å; T386-S416 WeakPolarHBondContact OG1-CA 3.41Å; T386-S416 WeakPolarHBondContact OG1-CB 3.44Å; T386-S416 PolarHBondContact OG1-O 2.85Å; T386-S416 PolarHBondContact OG1-OG 2.96Å; Y387-S416 PolarHBondContact O-OG 2.74Å; Y387-S416 VanDerWaalsContact O-OG 3.08Å; T413-S416 WeakPolarHBondContact O-CB 3.18Å; T413-S416 PolarHBondContact O-N 3Å; S416-A420 PolarHBondContact O-N 2.67Å; S416-A420 VanDerWaalsContact O-N 3.08Å
417A98.7Very high97.2Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-61.3-49.7177.800000114.6V336 A338 T413 A420 A421V336-A417 HydrophobicContact CG1-CB 4.24Å; V336-A417 WeakPolarHBondContact CG1-O 3.4Å; A338-A417 HydrophobicContact CB-CB 4.06Å; T413-A417 PolarHBondContact O-N 2.88Å; T413-A417 VanDerWaalsContact O-N 3.09Å; A417-A420 WeakPolarHBondContact O-CB 3.29Å; A417-A420 PolarHBondContact O-N 2.85Å; A417-A421 PolarHBondContact O-N 2.92Å
418P98.8Very high97.4Very high0 Ų08.9 Ų8.90%04%0.043CC..Hα-helixtrans-66.7-35.4177.325.2-33.8000112.7C244 E247 V248 S414 A415 A420 A421 G422C244-P418 HydrophobicContact CB-CB 4.1Å; C244-P418 HydrophobicContact CB-CG 4Å; C244-P418 VanDerWaalsContact O-CB 3.27Å; C244-P418 WeakPolarHBondContact O-CB 3.38Å; E247-P418 HydrophobicContact CB-CB 4.19Å; E247-P418 HydrophobicContact CB-CG 4.32Å; E247-P418 WeakPolarHBondContact OE1-CG 3.38Å; V248-P418 HydrophobicContact CG2-CB 3.78Å; V248-P418 WeakPolarHBondContact CG2-O 3.44Å; S414-P418 WeakPolarHBondContact O-CD 3.4Å; S414-P418 WeakPolarHBondContact O-CG 3.49Å; A415-P418 WeakPolarHBondContact O-CD 3.44Å; A415-P418 WeakPolarHBondContact O-CG 3.49Å; P418-A420 VanDerWaalsContact C-N 3.29Å; P418-A420 PolarHBondContact O-N 2.94Å; P418-A421 WeakPolarHBondContact O-CB 3.38Å; P418-A421 PolarHBondContact O-N 3.25Å; P418-G422 PolarHBondContact O-N 3.32Å
419L98.9Very high97.5Very high1 Ų14.4 Ų4.41%0.0053%0.027CC..Hα-helixtrans-57.8-44.2170.3-71.2170.8000111.2Y169 M180 E247 V261 T386 Y387 I397 A415 G422 I423Y169-L419 HydrophobicContact CD2-CD1 4.32Å; Y169-L419 HydrophobicContact CD2-CD2 4.09Å; Y169-L419 HydrophobicContact CE2-CD2 3.75Å; M180-L419 HydrophobicContact CE-CB 4.28Å; M180-L419 HydrophobicContact CE-CD1 4.03Å; M180-L419 HydrophobicContact CE-CD2 4.11Å; M180-L419 HydrophobicContact CE-CG 4.36Å; E247-L419 HydrophobicContact CB-CD2 4.23Å; E247-L419 WeakPolarHBondContact OE2-CG 3.23Å; V261-L419 HydrophobicContact CG2-CD2 3.6Å; T386-L419 HydrophobicContact CG2-CB 4.36Å; Y387-L419 WeakPolarHBondContact O-CD1 3.43Å; I397-L419 HydrophobicContact CD1-CD1 4.41Å; I397-L419 HydrophobicContact CG2-CD1 4.49Å; A415-L419 WeakPolarHBondContact O-CD1 3.48Å; A415-L419 WeakPolarHBondContact O-CG 3.45Å; A415-L419 PolarHBondContact O-N 3.39Å; L419-G422 PolarHBondContact O-N 3.02Å; L419-I423 WeakPolarHBondContact O-CG1 3.3Å; L419-I423 PolarHBondContact O-N 3.11Å
420A98.9Very high97.8Very high0 Ų03.2 Ų3.20%02%0.019CC..Hα-helixtrans-64.7-41.3174.900000112.5V336 V363 T386 S416 A417 P418 G422 I423 I424 M476V336-A420 HydrophobicContact CG1-CB 4.06Å; V363-A420 HydrophobicContact CB-CB 4.31Å; V363-A420 HydrophobicContact CG1-CB 3.89Å; V363-A420 HydrophobicContact CG2-CB 3.68Å; T386-A420 HydrophobicContact CG2-CB 3.89Å; S416-A420 PolarHBondContact O-N 2.67Å; S416-A420 VanDerWaalsContact O-N 3.08Å; A417-A420 WeakPolarHBondContact O-CB 3.29Å; A417-A420 PolarHBondContact O-N 2.85Å; P418-A420 VanDerWaalsContact C-N 3.29Å; P418-A420 PolarHBondContact O-N 2.94Å; A420-G422 VanDerWaalsContact C-N 3.31Å; A420-G422 PolarHBondContact O-N 2.92Å; A420-I423 PolarHBondContact O-N 3.18Å; A420-I424 WeakPolarHBondContact O-CB 3.18Å; A420-I424 WeakPolarHBondContact O-CD1 3.38Å; A420-I424 WeakPolarHBondContact O-CG1 3.4Å; A420-I424 PolarHBondContact O-N 2.84Å; A420-M476 HydrophobicContact CB-CE 4.3Å; A420-M476 HydrophobicContact CB-SD 3.47Å; A420-M476 WeakPolarHBondContact CB-SD 3.45Å
421A99Very high98Very high0 Ų04.1 Ų4.10%02%0.024CC..Hα-helixtrans-59.3-42.1175.100000111.6V197 V248 I295 V336 A417 P418 I424 A425V197-A421 HydrophobicContact CG1-CB 4.31Å; V248-A421 HydrophobicContact CG2-CB 4.39Å; I295-A421 WeakPolarHBondContact CD1-O 3.23Å; I295-A421 HydrophobicContact CG2-CB 3.98Å; V336-A421 HydrophobicContact CG2-CB 4.36Å; A417-A421 PolarHBondContact O-N 2.92Å; P418-A421 WeakPolarHBondContact O-CB 3.38Å; P418-A421 PolarHBondContact O-N 3.25Å; A421-I424 PolarHBondContact O-N 2.89Å; A421-A425 WeakPolarHBondContact O-CB 3.5Å; A421-A425 PolarHBondContact O-N 3.38Å
422G98.9Very high98.1Very high0 Ų06.2 Ų6.20%04%0.038CC..Hα-helixtrans-61.3-47.1172.900000112.5V261 P418 L419 A420 I424 A425 L426V261-G422 VanDerWaalsContact CG1-C 3.46Å; P418-G422 PolarHBondContact O-N 3.32Å; L419-G422 PolarHBondContact O-N 3.02Å; A420-G422 VanDerWaalsContact C-N 3.31Å; A420-G422 PolarHBondContact O-N 2.92Å; G422-I424 VanDerWaalsContact C-N 3.31Å; G422-I424 PolarHBondContact O-N 2.84Å; G422-A425 WeakPolarHBondContact O-CB 3.22Å; G422-A425 PolarHBondContact O-N 2.88Å; G422-A425 VanDerWaalsContact O-N 3.1Å; G422-L426 WeakPolarHBondContact O-CG 3.48Å; G422-L426 PolarHBondContact O-N 3Å; G422-L426 VanDerWaalsContact O-N 3.11Å
423I99Very high98.3Very high1 Ų111 Ų111%0.0056%0.064CC..Hα-helixtrans-61.6-41.5177.6-65.6172.8000111.1M180 V182 V261 T386 L419 A420 A425 L426 A427 M476 A478 L481M180-I423 HydrophobicContact CB-CD1 4.11Å; M180-I423 HydrophobicContact CG-CD1 4.49Å; M180-I423 HydrophobicContact SD-CD1 3.95Å; V182-I423 HydrophobicContact CG2-CD1 4.47Å; V182-I423 HydrophobicContact CG2-CG1 4.23Å; V261-I423 HydrophobicContact CG1-CG1 3.85Å; T386-I423 HydrophobicContact CG2-CD1 4.41Å; L419-I423 WeakPolarHBondContact O-CG1 3.3Å; L419-I423 PolarHBondContact O-N 3.11Å; A420-I423 PolarHBondContact O-N 3.18Å; I423-A425 VanDerWaalsContact C-N 3.3Å; I423-A425 PolarHBondContact O-N 3.49Å; I423-L426 WeakPolarHBondContact O-CB 3.46Å; I423-L426 PolarHBondContact O-N 2.87Å; I423-A427 PolarHBondContact O-N 2.8Å; I423-M476 HydrophobicContact CB-CE 4.02Å; I423-M476 HydrophobicContact CD1-CB 3.82Å; I423-M476 HydrophobicContact CG2-CE 3.77Å; I423-A478 HydrophobicContact CB-CB 4.46Å; I423-A478 HydrophobicContact CD1-CB 4.46Å; I423-A478 HydrophobicContact CG1-CB 4.09Å; I423-A478 HydrophobicContact CG2-CB 3.73Å; I423-L481 HydrophobicContact CG2-CD1 3.96Å
424I99Very high98.4Very high1 Ų111 Ų111%0.0056%0.064CC..Hα-helixtrans-63.3-37.4175.6-70.9165.3000110.6I295 I334 V336 L361 A420 A421 G422 L426 A427 L428 M439 V443 M476I295-I424 HydrophobicContact CD1-CB 4.02Å; I295-I424 HydrophobicContact CD1-CG2 3.5Å; I295-I424 HydrophobicContact CG1-CG2 4.07Å; I334-I424 HydrophobicContact CD1-CG2 3.91Å; I334-I424 HydrophobicContact CG2-CD1 4.5Å; I334-I424 HydrophobicContact CG2-CG2 4.21Å; V336-I424 HydrophobicContact CG2-CD1 3.58Å; L361-I424 HydrophobicContact CD1-CD1 3.94Å; A420-I424 WeakPolarHBondContact O-CB 3.18Å; A420-I424 WeakPolarHBondContact O-CD1 3.38Å; A420-I424 WeakPolarHBondContact O-CG1 3.4Å; A420-I424 PolarHBondContact O-N 2.84Å; A421-I424 PolarHBondContact O-N 2.89Å; G422-I424 VanDerWaalsContact C-N 3.31Å; G422-I424 PolarHBondContact O-N 2.84Å; I424-L426 PolarHBondContact O-N 2.94Å; I424-A427 VanDerWaalsContact O-CB 3.26Å; I424-A427 WeakPolarHBondContact O-CB 3.46Å; I424-A427 PolarHBondContact O-N 2.87Å; I424-L428 HydrophobicContact CG2-CD1 4.5Å; I424-L428 HydrophobicContact CG2-CG 4.43Å; I424-L428 WeakPolarHBondContact O-CG 3.37Å; I424-L428 PolarHBondContact O-N 2.93Å; I424-M439 HydrophobicContact CB-SD 4.38Å; I424-M439 HydrophobicContact CD1-CG 4.42Å; I424-M439 HydrophobicContact CG1-CG 4.13Å; I424-M439 HydrophobicContact CG1-SD 4.03Å; I424-M439 HydrophobicContact CG2-CE 3.91Å; I424-M439 HydrophobicContact CG2-CG 3.92Å; I424-M439 HydrophobicContact CG2-SD 3.96Å; I424-V443 HydrophobicContact CG1-CG2 4.47Å; I424-M476 HydrophobicContact CG1-CE 4.2Å
425A99Very high98.6Very high0 Ų012.3 Ų12.30%07%0.072CC..Hα-helixtrans-63.6-39176.200000112.4I195 V197 A262 I295 A421 G422 I423 A427 L428 E429I195-A425 HydrophobicContact CB-CB 4.22Å; I195-A425 HydrophobicContact CG2-CB 3.85Å; V197-A425 HydrophobicContact CG2-CB 4.26Å; A262-A425 HydrophobicContact CB-CB 3.83Å; I295-A425 HydrophobicContact CD1-CB 3.88Å; A421-A425 WeakPolarHBondContact O-CB 3.5Å; A421-A425 PolarHBondContact O-N 3.38Å; G422-A425 WeakPolarHBondContact O-CB 3.22Å; G422-A425 PolarHBondContact O-N 2.88Å; G422-A425 VanDerWaalsContact O-N 3.1Å; I423-A425 VanDerWaalsContact C-N 3.3Å; I423-A425 PolarHBondContact O-N 3.49Å; A425-A427 VanDerWaalsContact C-N 3.28Å; A425-A427 PolarHBondContact O-N 2.94Å; A425-L428 PolarHBondContact O-N 3.04Å; A425-E429 PolarHBondContact O-N 3.42Å
426L98.9Very high98.6Very high0 Ų013.5 Ų13.50%08%0.077CC..Hα-helixtrans-58.9-41.7173-58.8178.7000111.6V182 A185 A191 V261 A262 G422 I423 I424 A430 A478 V482V182-L426 HydrophobicContact CG1-CD1 4.22Å; A185-L426 HydrophobicContact CB-CD1 3.82Å; A191-L426 VanDerWaalsContact CA-CD2 3.5Å; V261-L426 HydrophobicContact CG1-CD1 3.92Å; V261-L426 HydrophobicContact CG1-CG 4.46Å; A262-L426 HydrophobicContact CB-CD2 4.21Å; G422-L426 WeakPolarHBondContact O-CG 3.48Å; G422-L426 PolarHBondContact O-N 3Å; G422-L426 VanDerWaalsContact O-N 3.11Å; I423-L426 WeakPolarHBondContact O-CB 3.46Å; I423-L426 PolarHBondContact O-N 2.87Å; I424-L426 PolarHBondContact O-N 2.94Å; L426-A430 PolarHBondContact O-N 2.8Å; L426-A478 HydrophobicContact CD1-CB 4.34Å; L426-V482 HydrophobicContact CB-CG2 3.93Å
427A98.9Very high98.7Very high0 Ų014.5 Ų14.50%08%0.08CC..Hα-helixtrans-66-42177.400000113.4I423 I424 A425 E429 A430 N431 M439 L481 A485I423-A427 PolarHBondContact O-N 2.8Å; I424-A427 VanDerWaalsContact O-CB 3.26Å; I424-A427 WeakPolarHBondContact O-CB 3.46Å; I424-A427 PolarHBondContact O-N 2.87Å; A425-A427 VanDerWaalsContact C-N 3.28Å; A425-A427 PolarHBondContact O-N 2.94Å; A427-E429 VanDerWaalsContact C-N 3.34Å; A427-A430 WeakPolarHBondContact O-CB 3.41Å; A427-A430 PolarHBondContact O-N 3.02Å; A427-N431 PolarHBondContact O-N 2.95Å; A427-M439 HydrophobicContact CB-CE 3.72Å; A427-M439 HydrophobicContact CB-SD 4.25Å; A427-L481 HydrophobicContact CB-CD2 3.05Å; A427-A485 HydrophobicContact CB-CB 4.29Å
428L98.8Very high98.7Very high0 Ų014.5 Ų14.50%08%0.08CC..Hα-helixtrans-68.8-33.6179-76.9-171.3000112I195 D294 I295 R328 I334 I424 A425 A430 N431 P432 L434 M439I195-L428 HydrophobicContact CD1-CB 3.64Å; I195-L428 HydrophobicContact CG1-CB 3.89Å; I195-L428 HydrophobicContact CG2-CB 4.25Å; I195-L428 HydrophobicContact CG2-CD1 4.03Å; D294-L428 HydrophobicContact CB-CD1 3.89Å; I295-L428 HydrophobicContact CD1-CD1 4.02Å; I295-L428 HydrophobicContact CG1-CD1 3.91Å; R328-L428 VanDerWaalsContact NH2-CD2 3.31Å; I334-L428 HydrophobicContact CD1-CD1 3.85Å; I334-L428 HydrophobicContact CD1-CD2 4.07Å; I334-L428 HydrophobicContact CD1-CG 4.22Å; I424-L428 HydrophobicContact CG2-CD1 4.5Å; I424-L428 HydrophobicContact CG2-CG 4.43Å; I424-L428 WeakPolarHBondContact O-CG 3.37Å; I424-L428 PolarHBondContact O-N 2.93Å; A425-L428 PolarHBondContact O-N 3.04Å; L428-A430 VanDerWaalsContact C-N 3.3Å; L428-N431 CarbonylContact O-C 3.5Å; L428-N431 PolarHBondContact O-N 3.09Å; L428-P432 VanDerWaalsContact O-CA 3.23Å; L428-P432 WeakPolarHBondContact O-CA 3.38Å; L428-P432 WeakPolarHBondContact O-CD 3.43Å; L428-P432 WeakPolarHBondContact O-CG 3.49Å; L428-L434 HydrophobicContact CD2-CB 3.96Å; L428-L434 HydrophobicContact CD2-CD1 4.4Å; L428-M439 HydrophobicContact CD2-CE 3.74Å; L428-M439 HydrophobicContact CG-CE 3.97Å
429E98.5Very high98.7Very high19 Ų1914.5 Ų14.59%0.0898%0.08CC..Hα-helixtrans-61.4-43.8170.3-176.7-174.5-168.900110.4H152 Y190 A191 G192 R193 I195 A425 A427 N431H152-E429 IonicContact CD2-OE1 3.92Å; H152-E429 IonicContact NE2-OE1 3.34Å; Y190-E429 VanDerWaalsContact CA-OE2 3.31Å; Y190-E429 WeakPolarHBondContact CA-OE2 3.43Å; Y190-E429 HydrophobicContact CD1-CB 4.2Å; Y190-E429 HydrophobicContact CD1-CG 3.91Å; A191-E429 PolarHBondContact N-OE2 2.98Å; G192-E429 WeakPolarHBondContact CA-OE2 3.39Å; G192-E429 PolarHBondContact N-OE2 3.27Å; R193-E429 HydrophobicContact CB-CG 4.38Å; R193-E429 VanDerWaalsContact CB-OE1 3.23Å; R193-E429 WeakPolarHBondContact CB-OE1 3.35Å; R193-E429 WeakPolarHBondContact CD-OE1 3.08Å; R193-E429 VanDerWaalsContact CG-OE1 3.28Å; R193-E429 WeakPolarHBondContact CG-OE1 3.08Å; R193-E429 IonicContact CZ-OE1 3.11Å; R193-E429 VanDerWaalsContact N-CD 3.27Å; R193-E429 PolarHBondContact N-OE1 3.15Å; R193-E429 PolarHBondContact N-OE2 2.78Å; R193-E429 IonicContact NH1-OE1 2.99Å; R193-E429 PolarHBondContact NH1-OE1 3.29Å; R193-E429 IonicContact NH1-OE2 3.39Å; I195-E429 HydrophobicContact CG1-CB 4.24Å; A425-E429 PolarHBondContact O-N 3.42Å; A427-E429 VanDerWaalsContact C-N 3.34Å; E429-N431 VanDerWaalsContact C-N 3.32Å; E429-N431 PolarHBondContact O-N 3.41Å
430A98Very high98.7Very high17 Ų1714.5 Ų14.514%0.148%0.081CC..Hα-helixtrans-64.7-35.1178.400000113.2Y190 L426 A427 L428 V482 L486Y190-A430 HydrophobicContact CD1-CB 3.78Å; Y190-A430 HydrophobicContact CD2-CB 4.43Å; Y190-A430 HydrophobicContact CE1-CB 3.53Å; Y190-A430 HydrophobicContact CE2-CB 4.17Å; Y190-A430 HydrophobicContact CG-CB 4.24Å; L426-A430 PolarHBondContact O-N 2.8Å; A427-A430 WeakPolarHBondContact O-CB 3.41Å; A427-A430 PolarHBondContact O-N 3.02Å; L428-A430 VanDerWaalsContact C-N 3.3Å; A430-V482 HydrophobicContact CB-CG1 4.04Å; A430-L486 HydrophobicContact CB-CD2 4.21Å; A430-L486 HydrophobicContact CB-CG 4.1Å
431N98.2Very high98.7Very high24 Ų2414.8 Ų14.813%0.1288%0.082CC..  trans-144.892.4174.7-174.2-9.8000111.4A427 L428 E429 N433 L434 A485A427-N431 PolarHBondContact O-N 2.95Å; L428-N431 CarbonylContact O-C 3.5Å; L428-N431 PolarHBondContact O-N 3.09Å; E429-N431 VanDerWaalsContact C-N 3.32Å; E429-N431 PolarHBondContact O-N 3.41Å; N431-N433 PolarHBondContact O-N 2.56Å; N431-N433 WeakPolarHBondContact OD1-CB 3.47Å; N431-N433 PolarHBondContact OD1-N 2.82Å; N431-L434 HydrophobicContact CB-CD1 4.1Å; N431-L434 HydrophobicContact CB-CD2 4.37Å; N431-L434 HydrophobicContact CB-CG 3.84Å; N431-L434 VanDerWaalsContact O-CG 3.3Å; N431-L434 WeakPolarHBondContact O-CG 3.37Å; N431-L434 PolarHBondContact O-N 2.85Å; N431-A485 WeakPolarHBondContact CB-O 2.97Å; N431-A485 PolarHBondContact ND2-O 3.37Å
432P97.7Very high98.7Very high67 Ų6714.8 Ų14.844%0.4358%0.082SC..THydrogen-bonded Turntrans-66.6-8.7179.6-23.834.2000113.8R328 K331 L428R328-P432 PolarHBondContact NH2-O 3.41Å; K331-P432 WeakPolarHBondContact CD-O 3.42Å; K331-P432 PolarHBondContact NZ-O 3.06Å; L428-P432 VanDerWaalsContact O-CA 3.23Å; L428-P432 WeakPolarHBondContact O-CA 3.38Å; L428-P432 WeakPolarHBondContact O-CD 3.43Å; L428-P432 WeakPolarHBondContact O-CG 3.49Å
433N97.9Very high98.7Very high102 Ų10214.9 Ų14.955%0.5458%0.082SC..THydrogen-bonded Turntrans-87.8-7.9179.8-64.5-41000114K331 N431 T435K331-N433 PolarHBondContact NZ-OD1 3.19Å; N431-N433 PolarHBondContact O-N 2.56Å; N431-N433 WeakPolarHBondContact OD1-CB 3.47Å; N431-N433 PolarHBondContact OD1-N 2.82Å; N433-T435 PolarHBondContact O-N 2.99Å
434L98.8Very high98.6Very high0 Ų015 Ų150%08%0.083CC..  trans-57.8130.2175.4-63.9176.7000111.5R328 L428 N431 D438 M439 I442 A485 W488R328-L434 PolarHBondContact NH1-O 3.4Å; L428-L434 HydrophobicContact CD2-CB 3.96Å; L428-L434 HydrophobicContact CD2-CD1 4.4Å; N431-L434 HydrophobicContact CB-CD1 4.1Å; N431-L434 HydrophobicContact CB-CD2 4.37Å; N431-L434 HydrophobicContact CB-CG 3.84Å; N431-L434 VanDerWaalsContact O-CG 3.3Å; N431-L434 WeakPolarHBondContact O-CG 3.37Å; N431-L434 PolarHBondContact O-N 2.85Å; L434-D438 HydrophobicContact CB-CB 4.23Å; L434-D438 HydrophobicContact CD2-CB 3.9Å; L434-M439 HydrophobicContact CD1-CE 3.69Å; L434-I442 HydrophobicContact CD1-CD1 3.75Å; L434-I442 HydrophobicContact CD2-CD1 3.64Å; L434-I442 HydrophobicContact CG-CD1 4.34Å; L434-A485 HydrophobicContact CD1-CB 3.8Å; L434-W488 HydrophobicContact CD2-CB 3.89Å; L434-W488 HydrophobicContact CD2-CG 3.93Å
435T98.8Very high98.6Very high27 Ų2717.8 Ų17.817%0.1669%0.093CC..  trans-79.4167.3169.467.70000111.2K331 N433 R437 D438 M439 T490K331-T435 WeakPolarHBondContact O-CA 3.37Å; K331-T435 VanDerWaalsContact O-CB 3.27Å; K331-T435 WeakPolarHBondContact O-CB 3.48Å; N433-T435 PolarHBondContact O-N 2.99Å; T435-R437 PolarHBondContact O-N 3.31Å; T435-D438 WeakPolarHBondContact CB-OD2 3.38Å; T435-D438 WeakPolarHBondContact CG2-OD2 3.49Å; T435-D438 PolarHBondContact N-OD2 3.37Å; T435-D438 WeakPolarHBondContact O-CB 3.39Å; T435-D438 PolarHBondContact O-N 2.97Å; T435-D438 PolarHBondContact OG1-N 2.88Å; T435-D438 VanDerWaalsContact OG1-N 3.11Å; T435-D438 PolarHBondContact OG1-OD2 3.16Å; T435-M439 PolarHBondContact O-N 3.11Å; T435-T490 HydrophobicContact CG2-CG2 3.95Å
436W98.7Very high98.6Very high24 Ų2418.5 Ų18.59%0.09110%0.098CC..Hα-helixtrans-59.3-34.1173.571-84.4000113V324 K331 I334 V358 Y359 M439 Q440V324-W436 HydrophobicContact CB-CD2 4.17Å; V324-W436 HydrophobicContact CB-CG 4.25Å; V324-W436 HydrophobicContact CB-CZ2 4.22Å; V324-W436 HydrophobicContact CG1-CD2 3.96Å; V324-W436 HydrophobicContact CG1-CE3 4.47Å; V324-W436 HydrophobicContact CG1-CG 4.15Å; V324-W436 HydrophobicContact CG1-CZ2 4.48Å; V324-W436 PolarHBondContact O-NE1 2.9Å; K331-W436 PolarHBondContact O-N 3.33Å; K331-W436 VanDerWaalsContact O-N 3.13Å; I334-W436 HydrophobicContact CG1-CB 4.26Å; V358-W436 WeakPolarHBondContact O-CZ3 3.48Å; Y359-W436 AromaticContact CD1-CH2 3.89Å; Y359-W436 HydrophobicContact CD1-CH2 3.89Å; Y359-W436 HydrophobicContact CD1-CZ2 4.13Å; Y359-W436 HydrophobicContact CD1-CZ3 4.42Å; Y359-W436 HydrophobicContact CE1-CH2 4.4Å; Y359-W436 HydrophobicContact CE1-CZ2 4.46Å; W436-M439 PolarHBondContact O-N 3.08Å; W436-Q440 VanDerWaalsContact CZ3-OE1 3.23Å; W436-Q440 PolarHBondContact O-N 3.37Å
437R98.6Very high98.6Very high21 Ų2119.1 Ų19.18%0.07910%0.103CC..Hα-helixtrans-71-42.4175-78.7175.461.6-140.6-1.4112.1T435 M439 Q440 H441 V491 P492 Q494 E536T435-R437 PolarHBondContact O-N 3.31Å; R437-M439 PolarHBondContact O-N 3.39Å; R437-Q440 PolarHBondContact O-N 2.83Å; R437-H441 PolarHBondContact O-CD2 3.31Å; R437-H441 PolarHBondContact O-N 2.93Å; R437-V491 HydrophobicContact CB-CG2 4.07Å; R437-P492 PolarHBondContact NH1-O 3.42Å; R437-P492 PolarHBondContact NH2-O 3.11Å; R437-Q494 VanDerWaalsContact NH1-N 3.1Å; R437-E536 IonicContact CZ-OE1 3.45Å; R437-E536 IonicContact CZ-OE2 3.71Å; R437-E536 VanDerWaalsContact CZ-OE2 3.27Å; R437-E536 IonicContact NE-OE1 3.48Å; R437-E536 PolarHBondContact NE-OE1 3.37Å; R437-E536 IonicContact NE-OE2 3.6Å; R437-E536 PolarHBondContact NE-OE2 3.2Å; R437-E536 IonicContact NH2-OE1 2.71Å; R437-E536 PolarHBondContact NH2-OE1 3.29Å; R437-E536 IonicContact NH2-OE2 3.27Å; R437-E536 PolarHBondContact NH2-OE2 2.96Å
438D98.9Very high98.6Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-55.4-44.5174.4-65.8-41.9000110.2L434 T435 Q440 H441 I442 W488 T490 V491L434-D438 HydrophobicContact CB-CB 4.23Å; L434-D438 HydrophobicContact CD2-CB 3.9Å; T435-D438 WeakPolarHBondContact CB-OD2 3.38Å; T435-D438 WeakPolarHBondContact CG2-OD2 3.49Å; T435-D438 PolarHBondContact N-OD2 3.37Å; T435-D438 WeakPolarHBondContact O-CB 3.39Å; T435-D438 PolarHBondContact O-N 2.97Å; T435-D438 PolarHBondContact OG1-N 2.88Å; T435-D438 VanDerWaalsContact OG1-N 3.11Å; T435-D438 PolarHBondContact OG1-OD2 3.16Å; D438-Q440 PolarHBondContact O-N 2.91Å; D438-H441 WeakPolarHBondContact O-CB 3.42Å; D438-H441 PolarHBondContact O-N 3.18Å; D438-I442 VanDerWaalsContact O-CG1 3.23Å; D438-I442 WeakPolarHBondContact O-CG1 3.48Å; D438-I442 PolarHBondContact O-N 3.17Å; D438-W488 VanDerWaalsContact CG-NE1 3.31Å; D438-W488 PolarHBondContact OD1-NE1 3.47Å; D438-T490 VanDerWaalsContact OD1-CA 3.3Å; D438-T490 WeakPolarHBondContact OD1-CA 3.42Å; D438-T490 WeakPolarHBondContact OD2-CG2 3.48Å; D438-T490 PolarHBondContact OD2-OG1 3.27Å; D438-V491 WeakPolarHBondContact OD1-CG1 3.39Å; D438-V491 PolarHBondContact OD1-N 2.81Å
439M98.9Very high98.6Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-59.2-46.1178.3-168.55563.400112.4I334 L361 I424 A427 L428 L434 T435 W436 R437 H441 I442 V443 L481I334-M439 HydrophobicContact CD1-CB 3.9Å; I334-M439 HydrophobicContact CD1-CE 4.26Å; I334-M439 HydrophobicContact CD1-CG 3.97Å; L361-M439 HydrophobicContact CD1-CG 4.37Å; I424-M439 HydrophobicContact CB-SD 4.38Å; I424-M439 HydrophobicContact CD1-CG 4.42Å; I424-M439 HydrophobicContact CG1-CG 4.13Å; I424-M439 HydrophobicContact CG1-SD 4.03Å; I424-M439 HydrophobicContact CG2-CE 3.91Å; I424-M439 HydrophobicContact CG2-CG 3.92Å; I424-M439 HydrophobicContact CG2-SD 3.96Å; A427-M439 HydrophobicContact CB-CE 3.72Å; A427-M439 HydrophobicContact CB-SD 4.25Å; L428-M439 HydrophobicContact CD2-CE 3.74Å; L428-M439 HydrophobicContact CG-CE 3.97Å; L434-M439 HydrophobicContact CD1-CE 3.69Å; T435-M439 PolarHBondContact O-N 3.11Å; W436-M439 PolarHBondContact O-N 3.08Å; R437-M439 PolarHBondContact O-N 3.39Å; M439-H441 VanDerWaalsContact C-N 3.35Å; M439-H441 PolarHBondContact O-N 3.38Å; M439-I442 PolarHBondContact O-N 3.43Å; M439-V443 HydrophobicContact CG-CG2 4.15Å; M439-V443 WeakPolarHBondContact O-CB 3.47Å; M439-V443 WeakPolarHBondContact O-CG2 3.34Å; M439-V443 PolarHBondContact O-N 3.28Å; M439-V443 HydrophobicContact SD-CG2 4.11Å; M439-L481 HydrophobicContact SD-CD2 4.24Å
440Q98.9Very high98.6Very high2 Ų225 Ų251%0.00914%0.139CC..Hα-helixtrans-58-45.9175.7-71.4174.3-32.400111.9V358 T360 L361 I383 W436 R437 D438 I442 V443 L444 H537 W590V358-Q440 PolarHBondContact O-NE2 3.39Å; T360-Q440 PolarHBondContact O-NE2 2.92Å; L361-Q440 HydrophobicContact CD2-CB 4.27Å; L361-Q440 HydrophobicContact CD2-CG 3.58Å; L361-Q440 HydrophobicContact CG-CG 3.91Å; I383-Q440 HydrophobicContact CD1-CB 3.86Å; I383-Q440 HydrophobicContact CD1-CG 4.07Å; W436-Q440 VanDerWaalsContact CZ3-OE1 3.23Å; W436-Q440 PolarHBondContact O-N 3.37Å; R437-Q440 PolarHBondContact O-N 2.83Å; D438-Q440 PolarHBondContact O-N 2.91Å; Q440-I442 PolarHBondContact O-N 3.39Å; Q440-V443 PolarHBondContact O-N 2.94Å; Q440-L444 VanDerWaalsContact O-CD2 3.24Å; Q440-L444 WeakPolarHBondContact O-CD2 3.49Å; Q440-L444 WeakPolarHBondContact O-CG 3.27Å; Q440-L444 PolarHBondContact O-N 3.06Å; Q440-L444 VanDerWaalsContact O-N 3.17Å; Q440-H537 PolarHBondContact NE2-NE2 2.82Å; Q440-H537 PolarHBondContact OE1-CE1 3.18Å; Q440-H537 PolarHBondContact OE1-NE2 2.96Å; Q440-W590 HydrophobicContact CB-CH2 3.5Å; Q440-W590 VanDerWaalsContact CB-CH2 3.5Å; Q440-W590 HydrophobicContact CB-CZ2 4.01Å; Q440-W590 HydrophobicContact CB-CZ3 4.31Å; Q440-W590 HydrophobicContact CG-CH2 4.31Å
441H98.8Very high98.6Very high5 Ų524.5 Ų24.52%0.02313%0.134CC..Hα-helixtrans-59.3-43.7176.4-88.3-93.2000112.8R437 D438 M439 R445 W488 E536 W590 A629R437-H441 PolarHBondContact O-CD2 3.31Å; R437-H441 PolarHBondContact O-N 2.93Å; D438-H441 WeakPolarHBondContact O-CB 3.42Å; D438-H441 PolarHBondContact O-N 3.18Å; M439-H441 VanDerWaalsContact C-N 3.35Å; M439-H441 PolarHBondContact O-N 3.38Å; H441-R445 WeakPolarHBondContact O-CB 3.38Å; H441-R445 WeakPolarHBondContact O-CD 3.11Å; H441-R445 WeakPolarHBondContact O-CG 3.27Å; H441-R445 PolarHBondContact O-N 2.91Å; H441-W488 HydrophobicContact CB-CH2 3.62Å; H441-W488 HydrophobicContact CB-CZ2 3.38Å; H441-W488 AromaticContact CG-CZ2 3.93Å; H441-E536 IonicContact CD2-OE1 2.67Å; H441-E536 IonicContact CE1-OE1 2.7Å; H441-E536 IonicContact NE2-OE1 3.26Å; H441-E536 PolarHBondContact NE2-OE1 2.81Å; H441-W590 AromaticContact CD2-CE2 3.96Å; H441-W590 AromaticContact CD2-CZ2 3.57Å; H441-W590 AromaticContact CD2-NE1 3.71Å; H441-W590 AromaticContact CE1-CD1 3.9Å; H441-W590 AromaticContact CE1-CE2 3.89Å; H441-W590 AromaticContact CE1-NE1 2.96Å; H441-W590 PolarHBondContact CE1-NE1 2.74Å; H441-W590 AromaticContact CG-CZ2 4Å; H441-W590 AromaticContact CG-NE1 3.56Å; H441-W590 AromaticContact ND1-CD1 3.95Å; H441-W590 AromaticContact ND1-NE1 3.08Å; H441-W590 PolarHBondContact ND1-NE1 3.01Å; H441-W590 AromaticContact NE2-CE2 3.83Å; H441-W590 AromaticContact NE2-CZ2 3.72Å; H441-W590 AromaticContact NE2-NE1 3.35Å; H441-W590 PolarHBondContact NE2-NE1 2.78Å; H441-A629 WeakPolarHBondContact CE1-CB 3.38Å
442I98.8Very high98.6Very high0 Ų023.4 Ų23.40%013%0.128CC..Hα-helixtrans-69-48.7-178.1-61.3164.9000109.3L434 D438 M439 Q440 L444 R445 T446 L481 L484 A485 W488L434-I442 HydrophobicContact CD1-CD1 3.75Å; L434-I442 HydrophobicContact CD2-CD1 3.64Å; L434-I442 HydrophobicContact CG-CD1 4.34Å; D438-I442 VanDerWaalsContact O-CG1 3.23Å; D438-I442 WeakPolarHBondContact O-CG1 3.48Å; D438-I442 PolarHBondContact O-N 3.17Å; M439-I442 PolarHBondContact O-N 3.43Å; Q440-I442 PolarHBondContact O-N 3.39Å; I442-L444 PolarHBondContact O-N 2.96Å; I442-R445 WeakPolarHBondContact O-CA 3.46Å; I442-R445 WeakPolarHBondContact O-CB 3.47Å; I442-R445 PolarHBondContact O-N 3.24Å; I442-T446 HydrophobicContact CG2-CG2 4.32Å; I442-T446 PolarHBondContact O-N 3.23Å; I442-T446 PolarHBondContact O-OG1 2.97Å; I442-T446 VanDerWaalsContact O-OG1 3.05Å; I442-L481 HydrophobicContact CG2-CB 4.49Å; I442-L481 HydrophobicContact CG2-CD2 3.96Å; I442-L481 HydrophobicContact CG2-CG 3.7Å; I442-L484 HydrophobicContact CB-CD2 4.34Å; I442-L484 HydrophobicContact CG1-CD2 4.35Å; I442-L484 HydrophobicContact CG1-CG 4.39Å; I442-L484 HydrophobicContact CG2-CB 4.04Å; I442-L484 HydrophobicContact CG2-CD2 3.89Å; I442-L484 HydrophobicContact CG2-CG 4.07Å; I442-A485 HydrophobicContact CD1-CB 4.32Å; I442-W488 HydrophobicContact CD1-CB 4.01Å; I442-W488 HydrophobicContact CD1-CD2 3.86Å; I442-W488 HydrophobicContact CD1-CE3 4.37Å; I442-W488 HydrophobicContact CD1-CG 3.69Å; I442-W488 HydrophobicContact CG1-CD2 3.57Å; I442-W488 HydrophobicContact CG1-CE3 3.7Å; I442-W488 HydrophobicContact CG1-CG 3.98Å; I442-W488 HydrophobicContact CG1-CH2 4.45Å; I442-W488 HydrophobicContact CG1-CZ2 4.33Å; I442-W488 HydrophobicContact CG1-CZ3 4.14Å
443V98.9Very high98.6Very high2 Ų223 Ų231%0.01212%0.123CC..Hα-helixtrans-51.2-52.6179.5167.50000111.4L361 I383 A384 I424 M439 Q440 R445 T446 A447 M476 L481L361-V443 HydrophobicContact CD2-CB 4.39Å; L361-V443 HydrophobicContact CD2-CG1 4.44Å; L361-V443 HydrophobicContact CD2-CG2 4.19Å; I383-V443 HydrophobicContact CG2-CG1 4.12Å; A384-V443 HydrophobicContact CB-CG1 3.66Å; I424-V443 HydrophobicContact CG1-CG2 4.47Å; M439-V443 HydrophobicContact CG-CG2 4.15Å; M439-V443 WeakPolarHBondContact O-CB 3.47Å; M439-V443 WeakPolarHBondContact O-CG2 3.34Å; M439-V443 PolarHBondContact O-N 3.28Å; M439-V443 HydrophobicContact SD-CG2 4.11Å; Q440-V443 PolarHBondContact O-N 2.94Å; V443-R445 VanDerWaalsContact C-N 3.3Å; V443-R445 PolarHBondContact O-N 2.93Å; V443-T446 PolarHBondContact O-N 3.2Å; V443-A447 WeakPolarHBondContact O-CB 3.43Å; V443-A447 PolarHBondContact O-N 3.39Å; V443-M476 HydrophobicContact CG1-CE 4.27Å; V443-M476 HydrophobicContact CG2-CE 4.05Å; V443-L481 HydrophobicContact CB-CD1 4.49Å; V443-L481 HydrophobicContact CG2-CD1 3.79Å
444L98.6Very high98.6Very high3 Ų324.9 Ų24.92%0.01613%0.133CC..Hα-helixtrans-74-19.7-178.573.391.6000113.5I383 Q440 I442 R465 Y473 W590I383-L444 HydrophobicContact CD1-CB 4.41Å; I383-L444 HydrophobicContact CD1-CD2 4.2Å; I383-L444 HydrophobicContact CG1-CB 4.06Å; I383-L444 HydrophobicContact CG1-CD2 4.46Å; Q440-L444 VanDerWaalsContact O-CD2 3.24Å; Q440-L444 WeakPolarHBondContact O-CD2 3.49Å; Q440-L444 WeakPolarHBondContact O-CG 3.27Å; Q440-L444 PolarHBondContact O-N 3.06Å; Q440-L444 VanDerWaalsContact O-N 3.17Å; I442-L444 PolarHBondContact O-N 2.96Å; L444-R465 PolarHBondContact O-NH1 3.06Å; L444-Y473 HydrophobicContact CB-CD1 4.33Å; L444-Y473 HydrophobicContact CB-CD2 3.5Å; L444-Y473 HydrophobicContact CB-CE2 3.89Å; L444-Y473 HydrophobicContact CB-CG 3.74Å; L444-Y473 HydrophobicContact CD1-CD1 4.39Å; L444-Y473 HydrophobicContact CD1-CE1 4.13Å; L444-Y473 HydrophobicContact CD1-CE2 4.32Å; L444-Y473 HydrophobicContact CD2-CE2 4.43Å; L444-Y473 HydrophobicContact CG-CE2 4.45Å; L444-W590 HydrophobicContact CD1-CB 4.33Å; L444-W590 HydrophobicContact CD1-CG 4.16Å; L444-W590 HydrophobicContact CD2-CB 4.16Å; L444-W590 HydrophobicContact CD2-CD2 3.16Å; L444-W590 VanDerWaalsContact CD2-CE2 3.45Å; L444-W590 HydrophobicContact CD2-CE3 3.41Å; L444-W590 VanDerWaalsContact CD2-CE3 3.41Å; L444-W590 HydrophobicContact CD2-CG 3.52Å; L444-W590 HydrophobicContact CD2-CH2 4.2Å; L444-W590 HydrophobicContact CD2-CZ2 3.98Å; L444-W590 HydrophobicContact CD2-CZ3 3.93Å
445R98.3Very high98.6Very high60 Ų6025.5 Ų25.523%0.22614%0.136CC..Hα-helixtrans-77.4-32174.8-82168.9-169.1-104.210.7113.3H441 I442 V443 L484 D633H441-R445 WeakPolarHBondContact O-CB 3.38Å; H441-R445 WeakPolarHBondContact O-CD 3.11Å; H441-R445 WeakPolarHBondContact O-CG 3.27Å; H441-R445 PolarHBondContact O-N 2.91Å; I442-R445 WeakPolarHBondContact O-CA 3.46Å; I442-R445 WeakPolarHBondContact O-CB 3.47Å; I442-R445 PolarHBondContact O-N 3.24Å; V443-R445 VanDerWaalsContact C-N 3.3Å; V443-R445 PolarHBondContact O-N 2.93Å; R445-L484 HydrophobicContact CB-CD2 3.71Å; R445-D633 IonicContact CZ-OD1 2.7Å; R445-D633 IonicContact CZ-OD2 3.44Å; R445-D633 IonicContact NH1-OD1 3.95Å; R445-D633 PolarHBondContact NH1-OD1 2.86Å; R445-D633 IonicContact NH1-OD2 2.9Å; R445-D633 PolarHBondContact NH1-OD2 2.93Å; R445-D633 IonicContact NH2-OD1 3.25Å; R445-D633 IonicContact NH2-OD2 3.67Å; R445-D633 PolarHBondContact NH2-OD2 3.09Å
446T98.8Very high98.5Very high16 Ų1629.2 Ų29.210%0.09816%0.16CC..Hα-helixtrans-105.1-10.9-174.861.30000112.7I442 V443 N448 D477 A480 L481 L484I442-T446 HydrophobicContact CG2-CG2 4.32Å; I442-T446 PolarHBondContact O-N 3.23Å; I442-T446 PolarHBondContact O-OG1 2.97Å; I442-T446 VanDerWaalsContact O-OG1 3.05Å; V443-T446 PolarHBondContact O-N 3.2Å; T446-N448 PolarHBondContact O-N 3.26Å; T446-D477 WeakPolarHBondContact O-CB 3.41Å; T446-A480 HydrophobicContact CG2-CB 4.11Å; T446-L481 WeakPolarHBondContact OG1-CB 3.5Å; T446-L484 HydrophobicContact CG2-CB 3.89Å; T446-L484 HydrophobicContact CG2-CD2 3.61Å; T446-L484 HydrophobicContact CG2-CG 4.4Å
447A98.8Very high98.5Very high12 Ų1230.8 Ų30.810%0.09918%0.184CC..  trans-53.2128.6171.800000111.5V443 P449 L475V443-A447 WeakPolarHBondContact O-CB 3.43Å; V443-A447 PolarHBondContact O-N 3.39Å; A447-P449 VanDerWaalsContact O-CD 3.29Å; A447-P449 WeakPolarHBondContact O-CD 3.37Å; A447-L475 CarbonylContact C-O 3.54Å; A447-L475 WeakPolarHBondContact CA-O 3.41Å
448N98.7Very high98.5Very high38 Ų3832 Ų3220%0.20319%0.189CC..BIsolated β-bridgetrans-97.1107-177.9-178.36.2000110.5T446 V450 P451 L475T446-N448 PolarHBondContact O-N 3.26Å; N448-V450 VanDerWaalsContact C-N 3.32Å; N448-V450 VanDerWaalsContact OD1-CB 3.22Å; N448-V450 WeakPolarHBondContact OD1-CB 3.41Å; N448-V450 WeakPolarHBondContact OD1-CG2 3.48Å; N448-V450 PolarHBondContact OD1-N 2.79Å; N448-P451 WeakPolarHBondContact O-CD 3.26Å; N448-L475 PolarHBondContact N-O 3.34Å; N448-L475 PolarHBondContact O-N 2.66Å
449P98.6Very high98.4Very high24 Ų2434.2 Ų34.216%0.15621%0.205CC..  trans-77.8-17.9178.931.8-36.8000113A447 P451 L452 L453 W458 R466A447-P449 VanDerWaalsContact O-CD 3.29Å; A447-P449 WeakPolarHBondContact O-CD 3.37Å; P449-P451 VanDerWaalsContact C-CD 3.46Å; P449-L452 PolarHBondContact O-N 3.3Å; P449-L453 HydrophobicContact CB-CD2 4.15Å; P449-L453 WeakPolarHBondContact O-CG 3.47Å; P449-L453 PolarHBondContact O-N 3.27Å; P449-W458 HydrophobicContact CB-CH2 3.8Å; P449-W458 HydrophobicContact CB-CZ2 4.46Å; P449-W458 HydrophobicContact CB-CZ3 3.84Å; P449-R466 HydrophobicContact CB-CB 4.04Å; P449-R466 HydrophobicContact CG-CB 4.11Å; P449-R466 HydrophobicContact CG-CG 4.41Å
450V98.5Very high98.4Very high82 Ų8238.1 Ų38.150%0.49723%0.228SC..G310 helixtrans-52.9-48.1-168.9175.50000113.7F178 N448 L452 L453F178-V450 HydrophobicContact CE1-CG1 4.43Å; F178-V450 HydrophobicContact CZ-CG1 4.07Å; N448-V450 VanDerWaalsContact C-N 3.32Å; N448-V450 VanDerWaalsContact OD1-CB 3.22Å; N448-V450 WeakPolarHBondContact OD1-CB 3.41Å; N448-V450 WeakPolarHBondContact OD1-CG2 3.48Å; N448-V450 PolarHBondContact OD1-N 2.79Å; V450-L452 PolarHBondContact O-N 2.89Å; V450-L452 VanDerWaalsContact O-N 3.15Å; V450-L453 PolarHBondContact O-N 2.82Å
451P98.2Very high98.4Very high6 Ų638.3 Ų38.34%0.03923%0.229CC..G310 helixtrans-60.7-28.8-179-18.830.6000112.4F178 N370 N448 P449 L475F178-P451 HydrophobicContact CB-CB 4.24Å; F178-P451 HydrophobicContact CB-CG 4.18Å; F178-P451 HydrophobicContact CD1-CB 4.32Å; F178-P451 HydrophobicContact CD1-CG 3.73Å; F178-P451 HydrophobicContact CD2-CB 3.68Å; F178-P451 HydrophobicContact CD2-CG 4.03Å; F178-P451 HydrophobicContact CE1-CG 4.07Å; F178-P451 HydrophobicContact CE2-CB 4.08Å; F178-P451 HydrophobicContact CE2-CG 4.37Å; F178-P451 HydrophobicContact CG-CB 3.83Å; F178-P451 HydrophobicContact CG-CG 3.72Å; F178-P451 HydrophobicContact CZ-CG 4.39Å; N370-P451 HydrophobicContact CB-CB 4.37Å; N370-P451 WeakPolarHBondContact CB-O 3.11Å; N448-P451 WeakPolarHBondContact O-CD 3.26Å; P449-P451 VanDerWaalsContact C-CD 3.46Å; P451-L475 HydrophobicContact CG-CD2 4.21Å
452L98.6Very high98.2Very high0 Ų039.8 Ų39.80%025%0.246CC..G310 helixtrans-100.8-0.6-166.9-57172.4000113.1A366 N370 T385 P449 V450 N454 N455 W458 F471 L475A366-L452 HydrophobicContact CB-CD2 3.57Å; N370-L452 HydrophobicContact CB-CD2 4.07Å; T385-L452 HydrophobicContact CG2-CD1 4.18Å; P449-L452 PolarHBondContact O-N 3.3Å; V450-L452 PolarHBondContact O-N 2.89Å; V450-L452 VanDerWaalsContact O-N 3.15Å; L452-N454 PolarHBondContact O-N 3.11Å; L452-N454 VanDerWaalsContact O-N 3.16Å; L452-N455 WeakPolarHBondContact O-CB 3.22Å; L452-N455 PolarHBondContact O-N 2.88Å; L452-N455 VanDerWaalsContact O-N 3.11Å; L452-N455 PolarHBondContact O-ND2 3Å; L452-W458 HydrophobicContact CB-CZ2 3.66Å; L452-W458 PolarHBondContact O-NE1 3.1Å; L452-F471 HydrophobicContact CB-CD2 4.43Å; L452-F471 HydrophobicContact CB-CG 4.42Å; L452-F471 HydrophobicContact CD1-CB 3.96Å; L452-F471 HydrophobicContact CD1-CD1 3.81Å; L452-F471 HydrophobicContact CD1-CE1 4.48Å; L452-F471 HydrophobicContact CD1-CG 3.91Å; L452-F471 HydrophobicContact CD2-CD1 4.32Å; L452-F471 HydrophobicContact CD2-CE1 4.17Å; L452-L475 HydrophobicContact CD1-CB 4.17Å
453L98.4Very high98.1Very high60 Ų6042.5 Ų42.531%0.31426%0.262SS..THydrogen-bonded Turntrans-63.8-21.1-174.4-65.9-179.1000114.8P449 V450 N455 W458 R466P449-L453 HydrophobicContact CB-CD2 4.15Å; P449-L453 WeakPolarHBondContact O-CG 3.47Å; P449-L453 PolarHBondContact O-N 3.27Å; V450-L453 PolarHBondContact O-N 2.82Å; L453-N455 PolarHBondContact O-N 3.14Å; L453-W458 HydrophobicContact CD2-CD2 4.14Å; L453-W458 HydrophobicContact CD2-CG 4.27Å; L453-R466 VanDerWaalsContact CD2-CD 3.49Å
454N97.5Very high98Very high141 Ų14145 Ų4575%0.75429%0.289SS*.THydrogen-bonded Turntrans-74.8-3.8177.3-70.3-25.6000113.4R371 L452R371-N454 PolarHBondContact NH1-O 3.16Å; R371-N454 VanDerWaalsContact NH1-O 3.14Å; L452-N454 PolarHBondContact O-N 3.11Å; L452-N454 VanDerWaalsContact O-N 3.16Å
455N98.3Very high98Very high13 Ų1347.6 Ų47.67%0.0730%0.298CS..SBendtrans-87.4149172.4-62-81.4000111N370 R371 S372 L452 L453 F471N370-N455 PolarHBondContact O-ND2 3.11Å; R371-N455 WeakPolarHBondContact CA-OD1 3.46Å; S372-N455 PolarHBondContact N-OD1 3.14Å; L452-N455 WeakPolarHBondContact O-CB 3.22Å; L452-N455 PolarHBondContact O-N 2.88Å; L452-N455 VanDerWaalsContact O-N 3.11Å; L452-N455 PolarHBondContact O-ND2 3Å; L453-N455 PolarHBondContact O-N 3.14Å; N455-F471 HydrophobicContact CB-CD2 4.37Å; N455-F471 HydrophobicContact CB-CE2 3.45Å; N455-F471 VanDerWaalsContact CB-CE2 3.45Å; N455-F471 HydrophobicContact CB-CZ 4.14Å
456P97.6Very high98Very high104 Ų10450.1 Ų50.168%0.67531%0.308SS*.THydrogen-bonded Turntrans-70.8164.9175.331.3-35.8000112.2N468P456-N468 PolarHBondContact O-ND2 2.85Å
457G97.2Very high98Very high58 Ų5849.3 Ų49.360%0.59830%0.303SS*.THydrogen-bonded Turntrans93.90.2171.100000115.8N468G457-N468 VanDerWaalsContact C-ND2 3.26Å
458W98.3Very high98Very high45 Ų4549 Ų4917%0.1730%0.299CS..  trans-68.8133.1173.9-70.3104.5000111.9P449 L452 L453 R466 I467 N468 F471P449-W458 HydrophobicContact CB-CH2 3.8Å; P449-W458 HydrophobicContact CB-CZ2 4.46Å; P449-W458 HydrophobicContact CB-CZ3 3.84Å; L452-W458 HydrophobicContact CB-CZ2 3.66Å; L452-W458 PolarHBondContact O-NE1 3.1Å; L453-W458 HydrophobicContact CD2-CD2 4.14Å; L453-W458 HydrophobicContact CD2-CG 4.27Å; W458-R466 HydrophobicContact CE3-CB 3.83Å; W458-R466 HydrophobicContact CZ3-CB 3.99Å; W458-I467 WeakPolarHBondContact CA-O 3.43Å; W458-N468 HydrophobicContact CD2-CB 3.83Å; W458-N468 HydrophobicContact CE3-CB 3.7Å; W458-N468 HydrophobicContact CH2-CB 3.98Å; W458-N468 HydrophobicContact CZ2-CB 4.09Å; W458-N468 HydrophobicContact CZ3-CB 3.78Å; W458-N468 PolarHBondContact N-ND2 3.47Å; W458-F471 HydrophobicContact CH2-CB 3.81Å; W458-F471 HydrophobicContact CZ2-CB 3.79Å; W458-F471 AromaticContact CZ2-CD2 3.84Å; W458-F471 HydrophobicContact CZ2-CD2 3.84Å; W458-F471 HydrophobicContact CZ2-CG 4.14Å
459S98Very high97.9Very high48 Ų4848.1 Ų48.134%0.33630%0.295SS..EExtended strand (participates in β ladder)trans-134.3173.8166.4640000110R466 I467S459-R466 WeakPolarHBondContact O-CA 3.29Å; S459-I467 PolarHBondContact N-O 3.41Å; S459-I467 PolarHBondContact O-N 2.9Å; S459-I467 WeakPolarHBondContact OG-CD1 3.32Å; S459-I467 WeakPolarHBondContact OG-CG1 3.45Å
460V98.4Very high97.9Very high81 Ų8149.7 Ų49.749%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-114126.7176.5179.80000107.7G464 R465 R466V460-G464 VanDerWaalsContact CG1-C 3.46Å; V460-G464 VanDerWaalsContact CG1-CA 3.49Å; V460-R465 CarbonylContact C-O 3.44Å; V460-R465 VanDerWaalsContact CA-O 3.3Å; V460-R465 WeakPolarHBondContact CA-O 3.45Å; V460-R466 HydrophobicContact CG2-CG 4.38Å
461N98.2Very high97.9Very high7 Ų745.8 Ų45.84%0.03728%0.275CS..  trans-78.4176.1-179.883.8-10.3000111.9V463 G464 R465 I467 T562 Q588 E592N461-V463 PolarHBondContact O-N 3.29Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.45Å; N461-V463 PolarHBondContact OD1-N 3.22Å; N461-V463 VanDerWaalsContact OD1-N 3.16Å; N461-G464 PolarHBondContact O-N 3.43Å; N461-G464 PolarHBondContact OD1-N 2.93Å; N461-R465 PolarHBondContact N-O 3.49Å; N461-R465 PolarHBondContact OD1-N 3.39Å; N461-R465 PolarHBondContact OD1-O 2.87Å; N461-I467 HydrophobicContact CB-CD1 3.94Å; N461-I467 HydrophobicContact CB-CG1 4.33Å; N461-I467 HydrophobicContact CB-CG2 4.29Å; N461-T562 VanDerWaalsContact CA-OG1 3.23Å; N461-T562 WeakPolarHBondContact CA-OG1 3.41Å; N461-T562 HydrophobicContact CB-CG2 4.08Å; N461-T562 WeakPolarHBondContact CB-OG1 3.17Å; N461-Q588 VanDerWaalsContact CB-O 3.31Å; N461-Q588 WeakPolarHBondContact CB-O 3.4Å; N461-Q588 PolarHBondContact ND2-O 3.4Å; N461-E592 WeakPolarHBondContact CB-OE1 3.11Å
462G96.4Very high98Very high36 Ų3645.5 Ų45.537%0.37127%0.274SS..THydrogen-bonded Turntrans-64.5-10.3-175.100000115.6T562 E592G462-T562 PolarHBondContact N-OG1 2.8Å; G462-T562 VanDerWaalsContact N-OG1 3.1Å; G462-E592 PolarHBondContact N-OE1 3.1Å
463V96Very high98Very high57 Ų5745.8 Ų45.835%0.34528%0.275SS..THydrogen-bonded Turntrans-109.512173.8-60.70000113.2N461 R465 W590 G591 E592N461-V463 PolarHBondContact O-N 3.29Å; N461-V463 WeakPolarHBondContact OD1-CG2 3.45Å; N461-V463 PolarHBondContact OD1-N 3.22Å; N461-V463 VanDerWaalsContact OD1-N 3.16Å; V463-R465 HydrophobicContact CG2-CG 4.16Å; V463-W590 WeakPolarHBondContact CG2-O 3.43Å; V463-G591 VanDerWaalsContact CG1-C 3.5Å; V463-G591 WeakPolarHBondContact CG1-O 3.42Å; V463-E592 HydrophobicContact CG1-CG 4.14Å
464G96.7Very high98Very high55 Ų5543 Ų4357%0.56726%0.26SS*.SBendtrans86.310.1173.100000115.3V460 N461V460-G464 VanDerWaalsContact CG1-C 3.46Å; V460-G464 VanDerWaalsContact CG1-CA 3.49Å; N461-G464 PolarHBondContact O-N 3.43Å; N461-G464 PolarHBondContact OD1-N 2.93Å
465R97.8Very high98Very high56 Ų5636.3 Ų36.321%0.21123%0.225CC..  trans-91.4143.8178.9-64.8171.5-173.3-120.46.6111.5L444 V460 N461 V463 Y473L444-R465 PolarHBondContact O-NH1 3.06Å; V460-R465 CarbonylContact C-O 3.44Å; V460-R465 VanDerWaalsContact CA-O 3.3Å; V460-R465 WeakPolarHBondContact CA-O 3.45Å; N461-R465 PolarHBondContact N-O 3.49Å; N461-R465 PolarHBondContact OD1-N 3.39Å; N461-R465 PolarHBondContact OD1-O 2.87Å; V463-R465 HydrophobicContact CG2-CG 4.16Å; R465-Y473 HydrophobicContact CB-CD1 4.03Å; R465-Y473 HydrophobicContact CB-CE1 3.77Å; R465-Y473 HydrophobicContact CG-CE1 4.38Å
466R98.6Very high98.1Very high113 Ų11335.9 Ų35.943%0.42622%0.222SC..EExtended strand (participates in β ladder)trans-76.2135.2172.9-64.1-171.8-177.9-87.60.2110P449 L453 W458 S459 V460P449-R466 HydrophobicContact CB-CB 4.04Å; P449-R466 HydrophobicContact CG-CB 4.11Å; P449-R466 HydrophobicContact CG-CG 4.41Å; L453-R466 VanDerWaalsContact CD2-CD 3.49Å; W458-R466 HydrophobicContact CE3-CB 3.83Å; W458-R466 HydrophobicContact CZ3-CB 3.99Å; S459-R466 WeakPolarHBondContact O-CA 3.29Å; V460-R466 HydrophobicContact CG2-CG 4.38Å
467I98.7Very high98.1Very high0 Ų032.1 Ų32.10%020%0.196CC..EExtended strand (participates in β ladder)trans-135.6149.7-178.753.3163.3000110.5W458 S459 N461 G472 Y473 T562 Q588W458-I467 WeakPolarHBondContact CA-O 3.43Å; S459-I467 PolarHBondContact N-O 3.41Å; S459-I467 PolarHBondContact O-N 2.9Å; S459-I467 WeakPolarHBondContact OG-CD1 3.32Å; S459-I467 WeakPolarHBondContact OG-CG1 3.45Å; N461-I467 HydrophobicContact CB-CD1 3.94Å; N461-I467 HydrophobicContact CB-CG1 4.33Å; N461-I467 HydrophobicContact CB-CG2 4.29Å; I467-G472 CarbonylContact C-O 3.49Å; I467-G472 WeakPolarHBondContact CA-O 3.38Å; I467-Y473 HydrophobicContact CG2-CD1 3.98Å; I467-Y473 HydrophobicContact CG2-CE1 3.56Å; I467-Y473 HydrophobicContact CG2-CE2 4.37Å; I467-T562 HydrophobicContact CD1-CG2 3.66Å; I467-Q588 HydrophobicContact CB-CB 4.39Å; I467-Q588 HydrophobicContact CB-CG 4.22Å; I467-Q588 HydrophobicContact CD1-CB 3.73Å; I467-Q588 HydrophobicContact CD1-CG 4.19Å; I467-Q588 HydrophobicContact CG2-CB 4.28Å; I467-Q588 HydrophobicContact CG2-CG 4.42Å
468N98.6Very high98.2Very high5 Ų529.4 Ų29.43%0.02717%0.168CC..BIsolated β-bridgetrans-152.2140.8176.6-167.6-57.1000110.3P456 G457 W458 K470 F471 G472P456-N468 PolarHBondContact O-ND2 2.85Å; G457-N468 VanDerWaalsContact C-ND2 3.26Å; W458-N468 HydrophobicContact CD2-CB 3.83Å; W458-N468 HydrophobicContact CE3-CB 3.7Å; W458-N468 HydrophobicContact CH2-CB 3.98Å; W458-N468 HydrophobicContact CZ2-CB 4.09Å; W458-N468 HydrophobicContact CZ3-CB 3.78Å; W458-N468 PolarHBondContact N-ND2 3.47Å; N468-K470 PolarHBondContact O-N 2.93Å; N468-K470 WeakPolarHBondContact OD1-CB 3.35Å; N468-K470 PolarHBondContact OD1-N 3.17Å; N468-F471 HydrophobicContact CB-CB 4.21Å; N468-F471 HydrophobicContact CB-CD2 4.36Å; N468-F471 PolarHBondContact O-N 2.85Å; N468-G472 PolarHBondContact N-O 2.78Å; N468-G472 WeakPolarHBondContact O-CA 3.22Å; N468-G472 PolarHBondContact O-N 2.88Å
469N98.3Very high98.2Very high20 Ų2027.3 Ų27.311%0.10716%0.161CC..THydrogen-bonded Turntrans-65.8-19.4177.1-84.125.6000113.9E378 C379 V565 Q588E378-N469 WeakPolarHBondContact CA-O 3.36Å; E378-N469 HydrophobicContact CB-CB 4.15Å; C379-N469 PolarHBondContact N-O 2.87Å; N469-V565 PolarHBondContact ND2-O 2.5Å; N469-Q588 PolarHBondContact OD1-NE2 3.27Å
470K98.3Very high98.3Very high56 Ų5626.6 Ų26.624%0.24316%0.158CC..THydrogen-bonded Turntrans-93.1-36.9177.1-65.5-173.9177.3-156.10112.3S364 L376 E378 N468S364-K470 WeakPolarHBondContact CB-O 3.39Å; S364-K470 PolarHBondContact OG-O 3.17Å; L376-K470 HydrophobicContact CD2-CB 3.95Å; L376-K470 HydrophobicContact CD2-CG 4.49Å; E378-K470 HydrophobicContact CB-CG 3.71Å; E378-K470 WeakPolarHBondContact OE2-CE 3.27Å; E378-K470 IonicContact OE2-NZ 3.69Å; N468-K470 PolarHBondContact O-N 2.93Å; N468-K470 WeakPolarHBondContact OD1-CB 3.35Å; N468-K470 PolarHBondContact OD1-N 3.17Å
471F98.7Very high98.3Very high0 Ų022.7 Ų22.70%013%0.134CC..THydrogen-bonded Turntrans-113.21.2-167.7-58.1-63.6000114.5A366 L376 T385 L452 N455 W458 N468 Y473 G474A366-F471 HydrophobicContact CB-CE1 4.35Å; L376-F471 HydrophobicContact CD2-CE1 4.49Å; T385-F471 HydrophobicContact CG2-CD1 3.94Å; T385-F471 VanDerWaalsContact OG1-C 3.28Å; T385-F471 WeakPolarHBondContact OG1-CA 3.26Å; T385-F471 WeakPolarHBondContact OG1-CB 3.12Å; T385-F471 PolarHBondContact OG1-O 3.39Å; L452-F471 HydrophobicContact CB-CD2 4.43Å; L452-F471 HydrophobicContact CB-CG 4.42Å; L452-F471 HydrophobicContact CD1-CB 3.96Å; L452-F471 HydrophobicContact CD1-CD1 3.81Å; L452-F471 HydrophobicContact CD1-CE1 4.48Å; L452-F471 HydrophobicContact CD1-CG 3.91Å; L452-F471 HydrophobicContact CD2-CD1 4.32Å; L452-F471 HydrophobicContact CD2-CE1 4.17Å; N455-F471 HydrophobicContact CB-CD2 4.37Å; N455-F471 HydrophobicContact CB-CE2 3.45Å; N455-F471 VanDerWaalsContact CB-CE2 3.45Å; N455-F471 HydrophobicContact CB-CZ 4.14Å; W458-F471 HydrophobicContact CH2-CB 3.81Å; W458-F471 HydrophobicContact CZ2-CB 3.79Å; W458-F471 AromaticContact CZ2-CD2 3.84Å; W458-F471 HydrophobicContact CZ2-CD2 3.84Å; W458-F471 HydrophobicContact CZ2-CG 4.14Å; N468-F471 HydrophobicContact CB-CB 4.21Å; N468-F471 HydrophobicContact CB-CD2 4.36Å; N468-F471 PolarHBondContact O-N 2.85Å; F471-Y473 PolarHBondContact O-N 3.09Å; F471-G474 PolarHBondContact O-N 2.72Å
472G98.6Very high98.3Very high1 Ų122.4 Ų22.41%0.0113%0.133CC..BIsolated β-bridgetrans55.9-124.9-171.600000110.6T382 I467 N468T382-G472 WeakPolarHBondContact O-CA 3.34Å; I467-G472 CarbonylContact C-O 3.49Å; I467-G472 WeakPolarHBondContact CA-O 3.38Å; N468-G472 PolarHBondContact N-O 2.78Å; N468-G472 WeakPolarHBondContact O-CA 3.22Å; N468-G472 PolarHBondContact O-N 2.88Å
473Y98.8Very high98.4Very high6 Ų625.4 Ų25.42%0.02414%0.135CC..THydrogen-bonded Turntrans-86.8-8.4176.2-74.3-93.3000114.3I383 L444 R465 I467 F471 V587 Q588 W590I383-Y473 WeakPolarHBondContact O-CD2 3.35Å; I383-Y473 PolarHBondContact O-N 3.08Å; L444-Y473 HydrophobicContact CB-CD1 4.33Å; L444-Y473 HydrophobicContact CB-CD2 3.5Å; L444-Y473 HydrophobicContact CB-CE2 3.89Å; L444-Y473 HydrophobicContact CB-CG 3.74Å; L444-Y473 HydrophobicContact CD1-CD1 4.39Å; L444-Y473 HydrophobicContact CD1-CE1 4.13Å; L444-Y473 HydrophobicContact CD1-CE2 4.32Å; L444-Y473 HydrophobicContact CD2-CE2 4.43Å; L444-Y473 HydrophobicContact CG-CE2 4.45Å; R465-Y473 HydrophobicContact CB-CD1 4.03Å; R465-Y473 HydrophobicContact CB-CE1 3.77Å; R465-Y473 HydrophobicContact CG-CE1 4.38Å; I467-Y473 HydrophobicContact CG2-CD1 3.98Å; I467-Y473 HydrophobicContact CG2-CE1 3.56Å; I467-Y473 HydrophobicContact CG2-CE2 4.37Å; F471-Y473 PolarHBondContact O-N 3.09Å; Y473-V587 HydrophobicContact CE2-CG2 4.47Å; Y473-V587 PolarHBondContact OH-O 2.95Å; Y473-Q588 PolarHBondContact OH-O 2.93Å; Y473-W590 VanDerWaalsContact OH-CB 3.24Å; Y473-W590 WeakPolarHBondContact OH-CB 3.27Å
474G98.8Very high98.5Very high0 Ų024.6 Ų24.60%013%0.129CC..  trans131.9-169.1179.900000113.9T385 F471T385-G474 PolarHBondContact N-O 3.4Å; F471-G474 PolarHBondContact O-N 2.72Å
475L98.9Very high98.6Very high2 Ų222 Ų221%0.0110%0.102CC..BIsolated β-bridgetrans-71.3132.2178.2-175.173.2000110.8D179 M180 T385 Y387 A447 N448 P451 L452 D477D179-L475 VanDerWaalsContact O-CD2 3.29Å; D179-L475 WeakPolarHBondContact O-CD2 3.49Å; M180-L475 HydrophobicContact CG-CD1 4.03Å; M180-L475 HydrophobicContact CG-CD2 4.39Å; M180-L475 HydrophobicContact CG-CG 4.18Å; T385-L475 CarbonylContact O-C 3.53Å; T385-L475 VanDerWaalsContact O-CA 3.31Å; T385-L475 WeakPolarHBondContact O-CA 3.31Å; Y387-L475 HydrophobicContact CD1-CD1 4.44Å; Y387-L475 HydrophobicContact CD2-CD1 3.94Å; Y387-L475 HydrophobicContact CD2-CD2 4.44Å; Y387-L475 HydrophobicContact CE1-CD1 4.27Å; Y387-L475 HydrophobicContact CE2-CD1 3.72Å; Y387-L475 HydrophobicContact CE2-CD2 3.49Å; Y387-L475 VanDerWaalsContact CE2-CD2 3.49Å; Y387-L475 HydrophobicContact CE2-CG 4.22Å; Y387-L475 HydrophobicContact CG-CD1 4.28Å; Y387-L475 WeakPolarHBondContact OH-CD2 3.49Å; A447-L475 CarbonylContact C-O 3.54Å; A447-L475 WeakPolarHBondContact CA-O 3.41Å; N448-L475 PolarHBondContact N-O 3.34Å; N448-L475 PolarHBondContact O-N 2.66Å; P451-L475 HydrophobicContact CG-CD2 4.21Å; L452-L475 HydrophobicContact CD1-CB 4.17Å; L475-D477 PolarHBondContact O-N 3.49Å
476M98.9Very high98.6Very high4 Ų421 Ų212%0.0210%0.101CC..  trans-61.9128.9175.8-67.9-173.468.100111M180 A384 T385 T386 A420 I423 I424 V443 L481M180-M476 WeakPolarHBondContact CA-O 3.39Å; M180-M476 WeakPolarHBondContact CB-O 3.49Å; A384-M476 HydrophobicContact CB-CG 3.69Å; A384-M476 HydrophobicContact CB-SD 4.39Å; T385-M476 PolarHBondContact O-N 3.08Å; T386-M476 HydrophobicContact CG2-CB 4.12Å; T386-M476 HydrophobicContact CG2-CG 4.01Å; T386-M476 HydrophobicContact CG2-SD 3.71Å; A420-M476 HydrophobicContact CB-CE 4.3Å; A420-M476 HydrophobicContact CB-SD 3.47Å; A420-M476 WeakPolarHBondContact CB-SD 3.45Å; I423-M476 HydrophobicContact CB-CE 4.02Å; I423-M476 HydrophobicContact CD1-CB 3.82Å; I423-M476 HydrophobicContact CG2-CE 3.77Å; I424-M476 HydrophobicContact CG1-CE 4.2Å; V443-M476 HydrophobicContact CG1-CE 4.27Å; V443-M476 HydrophobicContact CG2-CE 4.05Å; M476-L481 HydrophobicContact CE-CD1 3.75Å
477D98.9Very high98.5Very high24 Ų2420.6 Ų20.613%0.12811%0.106CC..  trans-110.4103.3176.5-176.5-38.9000108.7N181 T446 L475 G479 A480 L481N181-D477 VanDerWaalsContact CB-OD1 3.27Å; N181-D477 WeakPolarHBondContact CB-OD1 3.47Å; N181-D477 VanDerWaalsContact ND2-CG 3.33Å; N181-D477 PolarHBondContact ND2-OD2 3.25Å; T446-D477 WeakPolarHBondContact O-CB 3.41Å; L475-D477 PolarHBondContact O-N 3.49Å; D477-G479 PolarHBondContact O-N 3.48Å; D477-G479 PolarHBondContact OD1-N 2.84Å; D477-A480 HydrophobicContact CB-CB 3.96Å; D477-A480 PolarHBondContact O-N 3.03Å; D477-A480 WeakPolarHBondContact OD1-CB 3.49Å; D477-A480 PolarHBondContact OD1-N 2.85Å; D477-L481 WeakPolarHBondContact O-CB 3.44Å; D477-L481 PolarHBondContact O-N 2.89Å
478A98.9Very high98.5Very high1 Ų121.2 Ų21.21%0.00811%0.108CC..Hα-helixtrans-64.5-40.5-174.800000112.8M180 V182 A185 I423 L426 L481 V482M180-A478 WeakPolarHBondContact O-CB 3.41Å; M180-A478 PolarHBondContact O-N 2.7Å; V182-A478 HydrophobicContact CB-CB 4.39Å; V182-A478 HydrophobicContact CG2-CB 3.87Å; A185-A478 HydrophobicContact CB-CB 4.25Å; I423-A478 HydrophobicContact CB-CB 4.46Å; I423-A478 HydrophobicContact CD1-CB 4.46Å; I423-A478 HydrophobicContact CG1-CB 4.09Å; I423-A478 HydrophobicContact CG2-CB 3.73Å; L426-A478 HydrophobicContact CD1-CB 4.34Å; A478-L481 PolarHBondContact O-N 2.92Å; A478-V482 WeakPolarHBondContact O-CB 3.49Å; A478-V482 WeakPolarHBondContact O-CG2 3.5Å; A478-V482 PolarHBondContact O-N 3.3Å
479G98.7Very high98.5Very high2 Ų227.3 Ų27.32%0.02114%0.135CC..Hα-helixtrans-63.6-46.7178.100000112.2N181 D477 K483N181-G479 PolarHBondContact O-N 3.25Å; D477-G479 PolarHBondContact O-N 3.48Å; D477-G479 PolarHBondContact OD1-N 2.84Å; G479-K483 WeakPolarHBondContact O-CB 3.42Å; G479-K483 VanDerWaalsContact O-CG 3.26Å; G479-K483 WeakPolarHBondContact O-CG 3.02Å; G479-K483 PolarHBondContact O-N 3.19Å
480A98.9Very high98.5Very high32 Ų3230.3 Ų30.326%0.26415%0.154SC..Hα-helixtrans-65.4-40176.100000111.7T446 D477 K483 L484T446-A480 HydrophobicContact CG2-CB 4.11Å; D477-A480 HydrophobicContact CB-CB 3.96Å; D477-A480 PolarHBondContact O-N 3.03Å; D477-A480 WeakPolarHBondContact OD1-CB 3.49Å; D477-A480 PolarHBondContact OD1-N 2.85Å; A480-K483 PolarHBondContact O-N 3.26Å; A480-L484 WeakPolarHBondContact O-CB 3.44Å; A480-L484 PolarHBondContact O-N 3.05Å
481L98.9Very high98.5Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-62.9-47.3179-162.5161.7000111.3I423 A427 M439 I442 V443 T446 M476 D477 A478 L484 A485I423-L481 HydrophobicContact CG2-CD1 3.96Å; A427-L481 HydrophobicContact CB-CD2 3.05Å; M439-L481 HydrophobicContact SD-CD2 4.24Å; I442-L481 HydrophobicContact CG2-CB 4.49Å; I442-L481 HydrophobicContact CG2-CD2 3.96Å; I442-L481 HydrophobicContact CG2-CG 3.7Å; V443-L481 HydrophobicContact CB-CD1 4.49Å; V443-L481 HydrophobicContact CG2-CD1 3.79Å; T446-L481 WeakPolarHBondContact OG1-CB 3.5Å; M476-L481 HydrophobicContact CE-CD1 3.75Å; D477-L481 WeakPolarHBondContact O-CB 3.44Å; D477-L481 PolarHBondContact O-N 2.89Å; A478-L481 PolarHBondContact O-N 2.92Å; L481-L484 PolarHBondContact O-N 3.42Å; L481-A485 VanDerWaalsContact O-CB 3.29Å; L481-A485 WeakPolarHBondContact O-CB 3.43Å; L481-A485 PolarHBondContact O-N 3.24Å
482V98.7Very high98.4Very high0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-61-46.2174.2163.40000112.1A185 L188 Y190 L426 A430 A478 L484 A485 L486A185-V482 HydrophobicContact CB-CB 4.4Å; A185-V482 HydrophobicContact CB-CG2 3.83Å; L188-V482 HydrophobicContact CD1-CG1 4Å; Y190-V482 HydrophobicContact CD2-CG1 3.34Å; Y190-V482 HydrophobicContact CE2-CG1 3.56Å; Y190-V482 HydrophobicContact CG-CG1 4.11Å; L426-V482 HydrophobicContact CB-CG2 3.93Å; A430-V482 HydrophobicContact CB-CG1 4.04Å; A478-V482 WeakPolarHBondContact O-CB 3.49Å; A478-V482 WeakPolarHBondContact O-CG2 3.5Å; A478-V482 PolarHBondContact O-N 3.3Å; V482-L484 VanDerWaalsContact C-N 3.31Å; V482-L484 PolarHBondContact O-N 2.78Å; V482-A485 WeakPolarHBondContact O-CB 3.47Å; V482-A485 PolarHBondContact O-N 2.76Å; V482-L486 HydrophobicContact CG1-CD1 4.25Å; V482-L486 WeakPolarHBondContact O-CG 3.35Å; V482-L486 PolarHBondContact O-N 3.4Å; V482-L486 VanDerWaalsContact O-N 3.08Å
483K98.6Very high98.2Very high99 Ų9936.7 Ų36.743%0.4319%0.188SC..Hα-helixtrans-59.7-41.9178.2-75.1174.9-176.7-1770112.2L188 G479 A480L188-K483 HydrophobicContact CD1-CG 3.92Å; G479-K483 WeakPolarHBondContact O-CB 3.42Å; G479-K483 VanDerWaalsContact O-CG 3.26Å; G479-K483 WeakPolarHBondContact O-CG 3.02Å; G479-K483 PolarHBondContact O-N 3.19Å; A480-K483 PolarHBondContact O-N 3.26Å
484L98.5Very high98.1Very high41 Ų4138.4 Ų38.422%0.21520%0.196CC..Hα-helixtrans-71.2-39.9177.2-176.359.4000111.6I442 R445 T446 A480 L481 V482 L486 I487 W488I442-L484 HydrophobicContact CB-CD2 4.34Å; I442-L484 HydrophobicContact CG1-CD2 4.35Å; I442-L484 HydrophobicContact CG1-CG 4.39Å; I442-L484 HydrophobicContact CG2-CB 4.04Å; I442-L484 HydrophobicContact CG2-CD2 3.89Å; I442-L484 HydrophobicContact CG2-CG 4.07Å; R445-L484 HydrophobicContact CB-CD2 3.71Å; T446-L484 HydrophobicContact CG2-CB 3.89Å; T446-L484 HydrophobicContact CG2-CD2 3.61Å; T446-L484 HydrophobicContact CG2-CG 4.4Å; A480-L484 WeakPolarHBondContact O-CB 3.44Å; A480-L484 PolarHBondContact O-N 3.05Å; L481-L484 PolarHBondContact O-N 3.42Å; V482-L484 VanDerWaalsContact C-N 3.31Å; V482-L484 PolarHBondContact O-N 2.78Å; L484-L486 VanDerWaalsContact C-N 3.29Å; L484-L486 PolarHBondContact O-N 3.05Å; L484-I487 HydrophobicContact CD1-CD1 4.43Å; L484-I487 HydrophobicContact CD1-CG1 4.27Å; L484-I487 WeakPolarHBondContact O-CG1 3.37Å; L484-I487 PolarHBondContact O-N 3.28Å; L484-W488 HydrophobicContact CD1-CE3 3.83Å; L484-W488 HydrophobicContact CD1-CZ3 4.11Å; L484-W488 HydrophobicContact CD2-CE3 4.1Å; L484-W488 HydrophobicContact CD2-CZ3 3.95Å; L484-W488 HydrophobicContact CG-CE3 3.77Å; L484-W488 HydrophobicContact CG-CZ3 4.11Å; L484-W488 WeakPolarHBondContact O-CB 3.12Å; L484-W488 PolarHBondContact O-N 3.01Å
485A98.6Very high97.8Very high0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-55.7-41.2176.900000112.9A427 N431 L434 I442 L481 V482 I487 W488A427-A485 HydrophobicContact CB-CB 4.29Å; N431-A485 WeakPolarHBondContact CB-O 2.97Å; N431-A485 PolarHBondContact ND2-O 3.37Å; L434-A485 HydrophobicContact CD1-CB 3.8Å; I442-A485 HydrophobicContact CD1-CB 4.32Å; L481-A485 VanDerWaalsContact O-CB 3.29Å; L481-A485 WeakPolarHBondContact O-CB 3.43Å; L481-A485 PolarHBondContact O-N 3.24Å; V482-A485 WeakPolarHBondContact O-CB 3.47Å; V482-A485 PolarHBondContact O-N 2.76Å; A485-I487 VanDerWaalsContact C-N 3.26Å; A485-I487 PolarHBondContact O-N 3.2Å; A485-W488 WeakPolarHBondContact O-CB 3.38Å; A485-W488 PolarHBondContact O-N 3.38Å
486L97.5Very high97.6Very high36 Ų3644.9 Ų44.919%0.18823%0.228CC..Hα-helixtrans-58.3-35.3179.3-81161.5000114.2F149 Y190 A430 V482 L484F149-L486 HydrophobicContact CD1-CD2 4.35Å; F149-L486 HydrophobicContact CE1-CD1 3.59Å; F149-L486 HydrophobicContact CE1-CD2 4.01Å; F149-L486 HydrophobicContact CE1-CG 4.41Å; F149-L486 HydrophobicContact CZ-CD1 4.31Å; Y190-L486 HydrophobicContact CE2-CD1 4.28Å; Y190-L486 WeakPolarHBondContact OH-CD2 3.44Å; A430-L486 HydrophobicContact CB-CD2 4.21Å; A430-L486 HydrophobicContact CB-CG 4.1Å; V482-L486 HydrophobicContact CG1-CD1 4.25Å; V482-L486 WeakPolarHBondContact O-CG 3.35Å; V482-L486 PolarHBondContact O-N 3.4Å; V482-L486 VanDerWaalsContact O-N 3.08Å; L484-L486 VanDerWaalsContact C-N 3.29Å; L484-L486 PolarHBondContact O-N 3.05Å
487I96.8Very high97.3Very high103 Ų10344.7 Ų44.753%0.52823%0.227SC..Hα-helixtrans-105.60.8-176.367171.8000112.6I147 L484 A485 K489I147-I487 HydrophobicContact CD1-CG2 3.39Å; L484-I487 HydrophobicContact CD1-CD1 4.43Å; L484-I487 HydrophobicContact CD1-CG1 4.27Å; L484-I487 WeakPolarHBondContact O-CG1 3.37Å; L484-I487 PolarHBondContact O-N 3.28Å; A485-I487 VanDerWaalsContact C-N 3.26Å; A485-I487 PolarHBondContact O-N 3.2Å; I487-K489 PolarHBondContact O-N 3.12Å
488W98Very high97.1Very high13 Ų1346.2 Ų46.25%0.04924%0.237CC..PPolyproline II helixtrans-70.5130.9-172.9-168.1-99000111.3L434 D438 H441 I442 L484 A485 V491 Q630L434-W488 HydrophobicContact CD2-CB 3.89Å; L434-W488 HydrophobicContact CD2-CG 3.93Å; D438-W488 VanDerWaalsContact CG-NE1 3.31Å; D438-W488 PolarHBondContact OD1-NE1 3.47Å; H441-W488 HydrophobicContact CB-CH2 3.62Å; H441-W488 HydrophobicContact CB-CZ2 3.38Å; H441-W488 AromaticContact CG-CZ2 3.93Å; I442-W488 HydrophobicContact CD1-CB 4.01Å; I442-W488 HydrophobicContact CD1-CD2 3.86Å; I442-W488 HydrophobicContact CD1-CE3 4.37Å; I442-W488 HydrophobicContact CD1-CG 3.69Å; I442-W488 HydrophobicContact CG1-CD2 3.57Å; I442-W488 HydrophobicContact CG1-CE3 3.7Å; I442-W488 HydrophobicContact CG1-CG 3.98Å; I442-W488 HydrophobicContact CG1-CH2 4.45Å; I442-W488 HydrophobicContact CG1-CZ2 4.33Å; I442-W488 HydrophobicContact CG1-CZ3 4.14Å; L484-W488 HydrophobicContact CD1-CE3 3.83Å; L484-W488 HydrophobicContact CD1-CZ3 4.11Å; L484-W488 HydrophobicContact CD2-CE3 4.1Å; L484-W488 HydrophobicContact CD2-CZ3 3.95Å; L484-W488 HydrophobicContact CG-CE3 3.77Å; L484-W488 HydrophobicContact CG-CZ3 4.11Å; L484-W488 WeakPolarHBondContact O-CB 3.12Å; L484-W488 PolarHBondContact O-N 3.01Å; A485-W488 WeakPolarHBondContact O-CB 3.38Å; A485-W488 PolarHBondContact O-N 3.38Å; W488-V491 HydrophobicContact CZ2-CG1 3.71Å; W488-Q630 VanDerWaalsContact CD2-NE2 3.34Å; W488-Q630 HydrophobicContact CE3-CG 4.11Å; W488-Q630 HydrophobicContact CH2-CG 3.66Å; W488-Q630 HydrophobicContact CZ2-CG 4.26Å; W488-Q630 HydrophobicContact CZ3-CG 3.58Å
489K97.7Very high96.9Very high134 Ų13447.7 Ų47.758%0.58324%0.243SC*.PPolyproline II helixtrans-98.6134.4168.5-64.8-177.9-179.4-179.70109I487 V491 Q630 P631I487-K489 PolarHBondContact O-N 3.12Å; K489-V491 PolarHBondContact O-N 3.1Å; K489-Q630 PolarHBondContact O-NE2 2.64Å; K489-P631 HydrophobicContact CD-CG 4.11Å
490T98.2Very high96.7Very high83 Ų8351.5 Ų51.551%0.50926%0.263SS..PPolyproline II helixtrans-53.3133.9179.7-630000111.6T435 D438T435-T490 HydrophobicContact CG2-CG2 3.95Å; D438-T490 VanDerWaalsContact OD1-CA 3.3Å; D438-T490 WeakPolarHBondContact OD1-CA 3.42Å; D438-T490 WeakPolarHBondContact OD2-CG2 3.48Å; D438-T490 PolarHBondContact OD2-OG1 3.27Å
491V98.2Very high96.5Very high10 Ų1052.3 Ų52.36%0.06126%0.259CS..PPolyproline II helixtrans-65.4155.6-178.3-62.50000112.5R437 D438 W488 K489 A629R437-V491 HydrophobicContact CB-CG2 4.07Å; D438-V491 WeakPolarHBondContact OD1-CG1 3.39Å; D438-V491 PolarHBondContact OD1-N 2.81Å; W488-V491 HydrophobicContact CZ2-CG1 3.71Å; K489-V491 PolarHBondContact O-N 3.1Å; V491-A629 HydrophobicContact CG1-CB 3.84Å
492P97.6Very high96.1Very high34 Ų3461.2 Ų61.222%0.22130%0.298CS..PPolyproline II helixtrans-60.3164174.7-22.132.6000113.7R437 Q494 T625 E627R437-P492 PolarHBondContact NH1-O 3.42Å; R437-P492 PolarHBondContact NH2-O 3.11Å; P492-Q494 PolarHBondContact O-N 2.76Å; P492-T625 HydrophobicContact CB-CG2 4Å; P492-T625 HydrophobicContact CG-CG2 4.49Å; P492-T625 WeakPolarHBondContact O-CG2 3.13Å; P492-E627 HydrophobicContact CB-CB 4.46Å; P492-E627 HydrophobicContact CG-CB 3.94Å
493E95.3Very high95.7Very high146 Ų14662.4 Ų62.468%0.68230%0.304SS*.PPolyproline II helixtrans-54.9135.9175.9-74.5-63.7150.200112.2
494Q96.1Very high95.3Very high42 Ų4265.4 Ų65.420%0.19632%0.32CS..PPolyproline II helixtrans-80.9142.8178.1-147-179.238.600110.3R437 P492 E536 G624R437-Q494 VanDerWaalsContact NH1-N 3.1Å; P492-Q494 PolarHBondContact O-N 2.76Å; Q494-E536 WeakPolarHBondContact CG-OE2 3.49Å; Q494-E536 PolarHBondContact NE2-OE2 3.24Å; Q494-G624 CarbonylContact C-O 3.54Å; Q494-G624 WeakPolarHBondContact CA-O 3.36Å
495H92.5Very high94.9Very high60 Ų6072.9 Ų72.928%0.27835%0.351SS..EExtended strand (participates in β ladder)trans-127.4159169.6-54.6-52.7000110.2T530 V532 Y623 G624H495-T530 WeakPolarHBondContact CD2-CG2 3.44Å; H495-T530 VanDerWaalsContact NE2-CG2 3.28Å; H495-T530 WeakPolarHBondContact NE2-CG2 3.41Å; H495-V532 HydrophobicContact CB-CG2 4.07Å; H495-Y623 WeakPolarHBondContact O-CA 3.45Å; H495-G624 PolarHBondContact N-O 3.44Å; H495-G624 PolarHBondContact O-N 3.05Å; H495-G624 VanDerWaalsContact O-N 3.09Å
496I93.8Very high94.6Very high78 Ų7875.9 Ų75.940%0.437%0.37SS..EExtended strand (participates in β ladder)trans-117.7125.2178.1-52.6176.5000107.7L622 Y623I496-L622 CarbonylContact C-O 3.45Å; I496-L622 WeakPolarHBondContact CA-O 3.37Å; I496-Y623 HydrophobicContact CD1-CD1 3.81Å; I496-Y623 HydrophobicContact CD1-CE1 3.31Å; I496-Y623 HydrophobicContact CG1-CD1 3.56Å; I496-Y623 HydrophobicContact CG1-CE1 3.61Å; I496-Y623 HydrophobicContact CG1-CG 4.32Å; I496-Y623 HydrophobicContact CG2-CE1 4.41Å
497C94Very high94.2Very high1 Ų179 Ų791%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-108.3124.1168.5-69.40000109.4Y499 C526 V532 L622C497-Y499 HydrophobicContact CB-CE2 3.86Å; C497-C526 WeakPolarHBondContact CA-SG 3.2Å; C497-C526 HydrophobicContact CB-CB 4.34Å; C497-C526 WeakPolarHBondContact CB-SG 3.37Å; C497-C526 WeakPolarHBondContact SG-CB 3.5Å; C497-C526 CovalentContact SG-SG 2.01Å; C497-C526 PolarHBondContact SG-SG 2.79Å; C497-V532 HydrophobicContact CB-CG2 4.27Å; C497-V532 WeakPolarHBondContact SG-CG2 3.48Å; C497-L622 HydrophobicContact CB-CB 4.26Å; C497-L622 PolarHBondContact N-O 2.75Å; C497-L622 PolarHBondContact O-N 2.96Å
498T94.1Very high94.1Very high56 Ų5676.3 Ų76.334%0.34438%0.376SS..EExtended strand (participates in β ladder)trans-112.2132.1-179.5-560000110.4L620 L621T498-L620 CarbonylContact C-O 3.54Å; T498-L620 WeakPolarHBondContact CA-O 3.43Å; T498-L621 HydrophobicContact CG2-CD1 4.04Å; T498-L621 HydrophobicContact CG2-CG 4.25Å
499Y94.7Very high93.9Very high31 Ų3180.6 Ų80.612%0.12239%0.392CS..EExtended strand (participates in β ladder)trans-125.2120.6174.8-62.1-99.4000109.4C497 V523 N524 G525 C526 S619 L620 L622C497-Y499 HydrophobicContact CB-CE2 3.86Å; Y499-V523 HydrophobicContact CD1-CG2 4.2Å; Y499-V523 HydrophobicContact CD2-CG1 4.48Å; Y499-V523 HydrophobicContact CD2-CG2 4.08Å; Y499-V523 HydrophobicContact CE1-CB 4.38Å; Y499-V523 HydrophobicContact CE1-CG1 4.31Å; Y499-V523 HydrophobicContact CE1-CG2 4.25Å; Y499-V523 HydrophobicContact CE2-CB 4.45Å; Y499-V523 HydrophobicContact CE2-CG1 3.76Å; Y499-V523 HydrophobicContact CE2-CG2 4.15Å; Y499-V523 HydrophobicContact CG-CG2 4.12Å; Y499-N524 PolarHBondContact OH-N 2.85Å; Y499-N524 PolarHBondContact OH-OD1 3.21Å; Y499-N524 VanDerWaalsContact OH-OD1 3.08Å; Y499-G525 PolarHBondContact OH-N 2.89Å; Y499-C526 PolarHBondContact OH-N 3.35Å; Y499-S619 CarbonylContact O-C 3.57Å; Y499-S619 VanDerWaalsContact O-CA 3.29Å; Y499-S619 WeakPolarHBondContact O-CA 2.8Å; Y499-L620 PolarHBondContact N-O 2.91Å; Y499-L620 PolarHBondContact O-N 3.4Å; Y499-L622 HydrophobicContact CD2-CD1 4.35Å; Y499-L622 HydrophobicContact CE2-CD1 3.99Å
500D94.5Very high93.8Very high82 Ų8277.9 Ų77.944%0.43939%0.388SS..EExtended strand (participates in β ladder)trans-96.2126.5177.1-67.1-49.8000109.9K17 K502 S619K17-D500 VanDerWaalsContact NZ-CG 3.3Å; K17-D500 IonicContact NZ-OD1 3.1Å; K17-D500 PolarHBondContact NZ-OD1 3.43Å; K17-D500 IonicContact NZ-OD2 2.7Å; K17-D500 PolarHBondContact NZ-OD2 3.39Å; D500-K502 PolarHBondContact O-N 3.24Å; D500-S619 VanDerWaalsContact OD1-CB 3.27Å; D500-S619 WeakPolarHBondContact OD1-CB 3.28Å; D500-S619 PolarHBondContact OD1-OG 3.05Å
501Y94.5Very high93.6Very high49 Ų4974 Ų7419%0.19237%0.365CS..  trans-73.1125.2177.5-179.4-98.8000111.7L503 F519 S520 L521 F615 W618Y501-L503 HydrophobicContact CD1-CB 4.2Å; Y501-L503 HydrophobicContact CE1-CB 3.92Å; Y501-L503 HydrophobicContact CE1-CD1 3.79Å; Y501-L503 HydrophobicContact CE1-CG 4.48Å; Y501-L503 PolarHBondContact O-N 2.84Å; Y501-F519 HydrophobicContact CD2-CB 4.45Å; Y501-F519 HydrophobicContact CE1-CB 4.23Å; Y501-F519 AromaticContact CE1-CD1 3.74Å; Y501-F519 HydrophobicContact CE1-CD1 3.74Å; Y501-F519 HydrophobicContact CE1-CG 4.39Å; Y501-F519 HydrophobicContact CE2-CB 4.03Å; Y501-F519 AromaticContact CZ-CD1 3.77Å; Y501-S520 VanDerWaalsContact CE2-O 3.3Å; Y501-S520 WeakPolarHBondContact CE2-O 3.46Å; Y501-L521 HydrophobicContact CD2-CD2 4Å; Y501-L521 HydrophobicContact CD2-CG 4.08Å; Y501-F615 HydrophobicContact CD1-CE1 4.33Å; Y501-F615 HydrophobicContact CE1-CE1 4.27Å; Y501-W618 WeakPolarHBondContact CB-O 3.4Å; Y501-W618 AromaticContact CD1-CD1 3.71Å; Y501-W618 AromaticContact CD1-NE1 3.85Å; Y501-W618 AromaticContact CD2-NE1 3.36Å; Y501-W618 AromaticContact CG-CD1 3.4Å; Y501-W618 AromaticContact CG-NE1 3.18Å; Y501-W618 PolarHBondContact N-O 2.69Å
502K90.7Very high93.4Very high187 Ų18778 Ų7881%0.81339%0.389SS*.  trans-89.799.6175.1-65.8-178.3-177.1174.60109.4D500 E504D500-K502 PolarHBondContact O-N 3.24Å; K502-E504 PolarHBondContact O-N 3.37Å
503L90.1Very high93.3Very high25 Ų2576.5 Ų76.513%0.13138%0.38CS..PPolyproline II helixtrans-71.4120.3176.1-177.164.3000111.1Y501 N507 R509 F519 F615 H616Y501-L503 HydrophobicContact CD1-CB 4.2Å; Y501-L503 HydrophobicContact CE1-CB 3.92Å; Y501-L503 HydrophobicContact CE1-CD1 3.79Å; Y501-L503 HydrophobicContact CE1-CG 4.48Å; Y501-L503 PolarHBondContact O-N 2.84Å; L503-N507 HydrophobicContact CD2-CB 4.04Å; L503-N507 HydrophobicContact CG-CB 4.3Å; L503-R509 HydrophobicContact CD1-CB 4.12Å; L503-R509 HydrophobicContact CD2-CB 3.97Å; L503-F519 HydrophobicContact CD1-CD1 4.44Å; L503-F519 HydrophobicContact CD1-CE1 4.11Å; L503-F615 HydrophobicContact CD1-CD1 4.21Å; L503-F615 HydrophobicContact CD1-CE1 4.34Å; L503-F615 HydrophobicContact CD2-CD1 4.18Å; L503-F615 WeakPolarHBondContact CD2-O 3.32Å; L503-H616 VanDerWaalsContact CD2-O 3.31Å; L503-H616 WeakPolarHBondContact CD2-O 3.25Å
504E90.1Very high93.3Very high162 Ų16275.2 Ų75.276%0.75738%0.378SS*.PPolyproline II helixtrans-67.1155.8171.5-63.9-176.3171.500111.8K502 P506K502-E504 PolarHBondContact O-N 3.37Å; E504-P506 CarbonylContact O-C 3.44Å
505K89.5Confident93.3Very high199 Ų19974.2 Ų74.287%0.86537%0.373SS*.SBendtrans-60.8138.9177.6-70.1-175.8179.7179.90110.7
506P92.7Very high93.5Very high63 Ų6376.2 Ų76.241%0.40938%0.382SS..SBendcis-75.91381.631.2-35000113E504 P508 R509E504-P506 CarbonylContact O-C 3.44Å; P506-P508 CarbonylContact C-O 3.47Å; P506-P508 CarbonylContact O-C 3.38Å; P506-R509 WeakPolarHBondContact O-CA 3.1Å; P506-R509 PolarHBondContact O-N 2.77Å
507N89.2Confident93.6Very high101 Ų10174.8 Ų74.854%0.5437%0.374SS..SBendtrans-122.5116.2172.4-179.4-6.8000108.6L503L503-N507 HydrophobicContact CD2-CB 4.04Å; L503-N507 HydrophobicContact CG-CB 4.3Å
508P94Very high93.7Very high47 Ų4778 Ų7831%0.30539%0.392SS..SBendcis-75.3157.82.535.8-38.7000112.2P506 P510 T614 F615 H616P506-P508 CarbonylContact C-O 3.47Å; P506-P508 CarbonylContact O-C 3.38Å; P508-P510 WeakPolarHBondContact O-CD 3.12Å; P508-T614 HydrophobicContact CB-CG2 4.37Å; P508-T614 HydrophobicContact CG-CG2 3.95Å; P508-F615 CarbonylContact C-O 3.55Å; P508-F615 WeakPolarHBondContact CA-O 3.23Å; P508-F615 WeakPolarHBondContact CB-O 3.48Å; P508-H616 HydrophobicContact CB-CB 4.49Å
509R94.8Very high93.8Very high103 Ų10375.8 Ų75.839%0.38938%0.377SS..EExtended strand (participates in β ladder)trans-81.3121.3-177.5178.870.4178.4-1561.2109.8L503 P506 M517 T614 F615L503-R509 HydrophobicContact CD1-CB 4.12Å; L503-R509 HydrophobicContact CD2-CB 3.97Å; P506-R509 WeakPolarHBondContact O-CA 3.1Å; P506-R509 PolarHBondContact O-N 2.77Å; R509-M517 HydrophobicContact CG-SD 4.38Å; R509-T614 CarbonylContact O-C 3.55Å; R509-T614 WeakPolarHBondContact O-CA 3.16Å; R509-F615 HydrophobicContact CB-CB 4.31Å; R509-F615 PolarHBondContact N-O 3.07Å; R509-F615 PolarHBondContact O-N 2.96Å
510P94.9Very high93.9Very high76 Ų7676.2 Ų76.249%0.49438%0.384SS..EExtended strand (participates in β ladder)trans-65136.8175.4-21.433.6000111.8P508P508-P510 WeakPolarHBondContact O-CD 3.12Å
511I94Very high94Very high3 Ų373.3 Ų73.32%0.01537%0.369CS..EExtended strand (participates in β ladder)trans-130.3137173.951.9172.2000108.9F515 M517 F546 G612 G613I511-F515 HydrophobicContact CB-CD1 4.11Å; I511-F515 HydrophobicContact CB-CE1 3.68Å; I511-F515 HydrophobicContact CB-CE2 4.23Å; I511-F515 HydrophobicContact CB-CZ 3.75Å; I511-F515 HydrophobicContact CD1-CE1 4.06Å; I511-F515 HydrophobicContact CD1-CZ 3.66Å; I511-F515 HydrophobicContact CG1-CE1 4.25Å; I511-F515 HydrophobicContact CG1-CZ 4.22Å; I511-F515 HydrophobicContact CG2-CD2 4.36Å; I511-F515 HydrophobicContact CG2-CE1 4.32Å; I511-F515 HydrophobicContact CG2-CE2 3.96Å; I511-F515 HydrophobicContact CG2-CZ 3.96Å; I511-M517 HydrophobicContact CG2-CE 3.89Å; I511-M517 HydrophobicContact CG2-SD 3.85Å; I511-F546 HydrophobicContact CD1-CD2 3.6Å; I511-F546 HydrophobicContact CD1-CE2 4.09Å; I511-F546 HydrophobicContact CD1-CG 4.47Å; I511-F546 HydrophobicContact CG1-CD2 3.93Å; I511-F546 HydrophobicContact CG1-CE2 4.15Å; I511-G612 CarbonylContact O-C 3.55Å; I511-G613 WeakPolarHBondContact CG1-O 3.5Å; I511-G613 PolarHBondContact N-O 2.78Å; I511-G613 PolarHBondContact O-N 3.25Å
512T94.6Very high94Very high93 Ų9376.5 Ų76.557%0.57139%0.386SS*.EExtended strand (participates in β ladder)trans-145.3142.8-175.652.60000111.9V611T512-V611 CarbonylContact C-O 3.57Å; T512-V611 WeakPolarHBondContact CA-O 3.37Å
513G94.5Very high94.2Very high3 Ų367.8 Ų67.83%0.03135%0.348CS..SBendtrans56.8-142.2174.600000113.7F515 S604 V611G513-F515 WeakPolarHBondContact O-CD1 3.44Å; G513-S604 VanDerWaalsContact O-CB 3.3Å; G513-S604 WeakPolarHBondContact O-CB 3.16Å; G513-S604 PolarHBondContact O-OG 2.65Å; G513-V611 PolarHBondContact N-O 2.94Å
514N95.7Very high94.2Very high119 Ų11970 Ų7064%0.63636%0.36SS*.SBendtrans-80.4122.1171.2-172.5-66.6000109.5S604N514-S604 PolarHBondContact ND2-O 3.01Å
515F95.4Very high93.7Very high21 Ų2162.3 Ų62.39%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-148.8164.9179.568.9-93.1000111.3I511 G513 M517 F546 L552 V602 E603 S604I511-F515 HydrophobicContact CB-CD1 4.11Å; I511-F515 HydrophobicContact CB-CE1 3.68Å; I511-F515 HydrophobicContact CB-CE2 4.23Å; I511-F515 HydrophobicContact CB-CZ 3.75Å; I511-F515 HydrophobicContact CD1-CE1 4.06Å; I511-F515 HydrophobicContact CD1-CZ 3.66Å; I511-F515 HydrophobicContact CG1-CE1 4.25Å; I511-F515 HydrophobicContact CG1-CZ 4.22Å; I511-F515 HydrophobicContact CG2-CD2 4.36Å; I511-F515 HydrophobicContact CG2-CE1 4.32Å; I511-F515 HydrophobicContact CG2-CE2 3.96Å; I511-F515 HydrophobicContact CG2-CZ 3.96Å; G513-F515 WeakPolarHBondContact O-CD1 3.44Å; F515-M517 HydrophobicContact CD2-CE 4.45Å; F515-M517 HydrophobicContact CD2-CG 4.03Å; F515-F546 HydrophobicContact CD1-CE2 4.49Å; F515-F546 HydrophobicContact CE1-CD2 4.42Å; F515-F546 AromaticContact CE1-CE2 3.61Å; F515-F546 HydrophobicContact CE1-CE2 3.61Å; F515-F546 AromaticContact CE1-CZ 3.81Å; F515-F546 HydrophobicContact CE1-CZ 3.81Å; F515-F546 HydrophobicContact CZ-CE2 4.44Å; F515-L552 HydrophobicContact CE1-CD2 4.37Å; F515-L552 HydrophobicContact CZ-CD2 3.87Å; F515-V602 HydrophobicContact CE2-CB 4.43Å; F515-V602 HydrophobicContact CE2-CG1 3.93Å; F515-V602 HydrophobicContact CZ-CG1 4.22Å; F515-E603 CarbonylContact O-C 3.4Å; F515-E603 VanDerWaalsContact O-CA 3.29Å; F515-E603 WeakPolarHBondContact O-CA 3.37Å; F515-S604 PolarHBondContact O-N 3.2Å
516Q97.1Very high93.3Very high102 Ų10254.5 Ų54.548%0.47729%0.294SS..EExtended strand (participates in β ladder)trans-140.7125.1168.1174.9179.3-29.100108M601 V602 E603Q516-M601 HydrophobicContact CG-CG 4.02Å; Q516-M601 HydrophobicContact CG-SD 3.99Å; Q516-M601 PolarHBondContact NE2-SD 3.24Å; Q516-V602 WeakPolarHBondContact CA-O 3.23Å; Q516-E603 HydrophobicContact CB-CG 4.11Å; Q516-E603 HydrophobicContact CG-CG 3.85Å
517M95.8Very high92.2Very high48 Ų4859.5 Ų59.524%0.23631%0.312CS..EExtended strand (participates in β ladder)trans-133.8144.8179.3-65.6-170.7-169.500110.5R509 I511 F515 F519 M601 V602R509-M517 HydrophobicContact CG-SD 4.38Å; I511-M517 HydrophobicContact CG2-CE 3.89Å; I511-M517 HydrophobicContact CG2-SD 3.85Å; F515-M517 HydrophobicContact CD2-CE 4.45Å; F515-M517 HydrophobicContact CD2-CG 4.03Å; M517-F519 HydrophobicContact CB-CE2 3.89Å; M517-F519 HydrophobicContact CB-CZ 4Å; M517-F519 HydrophobicContact SD-CZ 4.3Å; M517-M601 WeakPolarHBondContact O-CA 3.49Å; M517-V602 PolarHBondContact N-O 3.33Å; M517-V602 PolarHBondContact O-N 2.75Å
518N96.9Very high91.3Very high69 Ų6959.7 Ų59.737%0.36932%0.322SS..EExtended strand (participates in β ladder)trans-112.5129.6178.5-68.1-20000109.7T599 M601 F650N518-T599 HydrophobicContact CB-CG2 3.73Å; N518-M601 WeakPolarHBondContact OD1-CB 3.31Å; N518-M601 VanDerWaalsContact OD1-CG 3.25Å; N518-M601 WeakPolarHBondContact OD1-CG 3.18Å; N518-F650 WeakPolarHBondContact ND2-CZ 3.39Å
519F96.5Very high90.6Very high9 Ų960.9 Ų60.94%0.03934%0.342CS..EExtended strand (participates in β ladder)trans-118.2110.1173.9-56-81000108Y501 L503 M517 L600 V602 F615 W618Y501-F519 HydrophobicContact CD2-CB 4.45Å; Y501-F519 HydrophobicContact CE1-CB 4.23Å; Y501-F519 AromaticContact CE1-CD1 3.74Å; Y501-F519 HydrophobicContact CE1-CD1 3.74Å; Y501-F519 HydrophobicContact CE1-CG 4.39Å; Y501-F519 HydrophobicContact CE2-CB 4.03Å; Y501-F519 AromaticContact CZ-CD1 3.77Å; L503-F519 HydrophobicContact CD1-CD1 4.44Å; L503-F519 HydrophobicContact CD1-CE1 4.11Å; M517-F519 HydrophobicContact CB-CE2 3.89Å; M517-F519 HydrophobicContact CB-CZ 4Å; M517-F519 HydrophobicContact SD-CZ 4.3Å; F519-L600 PolarHBondContact N-O 3.01Å; F519-L600 PolarHBondContact O-N 2.83Å; F519-V602 HydrophobicContact CD2-CG2 3.8Å; F519-V602 HydrophobicContact CE2-CB 4.08Å; F519-V602 HydrophobicContact CE2-CG2 3.73Å; F519-F615 HydrophobicContact CB-CZ 4.48Å; F519-F615 AromaticContact CD1-CD1 3.98Å; F519-F615 HydrophobicContact CD1-CD1 3.98Å; F519-F615 AromaticContact CD1-CE1 3.54Å; F519-F615 HydrophobicContact CD1-CE1 3.54Å; F519-F615 HydrophobicContact CD1-CZ 4.11Å; F519-F615 HydrophobicContact CD2-CD1 4.45Å; F519-F615 HydrophobicContact CD2-CE1 4.06Å; F519-F615 HydrophobicContact CD2-CE2 4.12Å; F519-F615 AromaticContact CD2-CZ 3.87Å; F519-F615 HydrophobicContact CD2-CZ 3.87Å; F519-F615 AromaticContact CE1-CD1 3.42Å; F519-F615 HydrophobicContact CE1-CD1 3.42Å; F519-F615 VanDerWaalsContact CE1-CD1 3.42Å; F519-F615 AromaticContact CE1-CE1 3.51Å; F519-F615 HydrophobicContact CE1-CE1 3.51Å; F519-F615 HydrophobicContact CE1-CG 4.14Å; F519-F615 HydrophobicContact CE1-CZ 4.3Å; F519-F615 AromaticContact CE2-CD1 3.96Å; F519-F615 HydrophobicContact CE2-CD1 3.96Å; F519-F615 AromaticContact CE2-CD2 3.99Å; F519-F615 HydrophobicContact CE2-CD2 3.99Å; F519-F615 HydrophobicContact CE2-CE1 4.03Å; F519-F615 HydrophobicContact CE2-CE2 4.06Å; F519-F615 AromaticContact CE2-CG 3.93Å; F519-F615 HydrophobicContact CE2-CG 3.93Å; F519-F615 HydrophobicContact CE2-CZ 4.07Å; F519-F615 HydrophobicContact CG-CD1 4.46Å; F519-F615 AromaticContact CG-CE1 3.82Å; F519-F615 HydrophobicContact CG-CE1 3.82Å; F519-F615 AromaticContact CG-CZ 3.88Å; F519-F615 HydrophobicContact CG-CZ 3.88Å; F519-F615 HydrophobicContact CZ-CB 4.16Å; F519-F615 AromaticContact CZ-CD1 3.4Å; F519-F615 HydrophobicContact CZ-CD1 3.4Å; F519-F615 VanDerWaalsContact CZ-CD1 3.4Å; F519-F615 HydrophobicContact CZ-CD2 4.18Å; F519-F615 AromaticContact CZ-CE1 3.76Å; F519-F615 HydrophobicContact CZ-CE1 3.76Å; F519-F615 HydrophobicContact CZ-CE2 4.48Å; F519-F615 AromaticContact CZ-CG 3.63Å; F519-F615 HydrophobicContact CZ-CG 3.63Å; F519-F615 HydrophobicContact CZ-CZ 4.28Å; F519-W618 WeakPolarHBondContact O-CZ2 3.45Å
520S97.3Very high90.2Very high39 Ų3959.4 Ų59.427%0.27335%0.345SS..EExtended strand (participates in β ladder)trans-108.1144.5-172.3-58.90000113Y501 K597 W598 T599Y501-S520 VanDerWaalsContact CE2-O 3.3Å; Y501-S520 WeakPolarHBondContact CE2-O 3.46Å; S520-K597 WeakPolarHBondContact OG-CE 3.24Å; S520-W598 CarbonylContact C-O 3.57Å; S520-W598 WeakPolarHBondContact CA-O 3.22Å; S520-W598 WeakPolarHBondContact CB-O 3.24Å; S520-T599 PolarHBondContact OG-OG1 3.15Å
521L95.6Very high90Very high21 Ų2158 Ų5811%0.1134%0.335CS..EExtended strand (participates in β ladder)trans-121.3135.1173.1-80.2173.9000109.4Y501 K597 W598 W618 L620Y501-L521 HydrophobicContact CD2-CD2 4Å; Y501-L521 HydrophobicContact CD2-CG 4.08Å; L521-K597 WeakPolarHBondContact O-CA 3.31Å; L521-W598 PolarHBondContact N-O 3.28Å; L521-W598 PolarHBondContact O-N 3.03Å; L521-W618 HydrophobicContact CB-CH2 4.39Å; L521-W618 HydrophobicContact CB-CZ2 4.13Å; L521-W618 HydrophobicContact CD1-CD2 4.47Å; L521-W618 HydrophobicContact CD1-CH2 3.62Å; L521-W618 HydrophobicContact CD1-CZ2 3.47Å; L521-W618 VanDerWaalsContact CD1-CZ2 3.47Å; L521-W618 HydrophobicContact CD1-CZ3 4.16Å; L521-W618 HydrophobicContact CG-CH2 4.13Å; L521-W618 HydrophobicContact CG-CZ2 3.61Å; L521-L620 HydrophobicContact CD1-CB 3.97Å
522E95.2Very high90Very high117 Ų11757.8 Ų57.855%0.54734%0.335SS..EExtended strand (participates in β ladder)trans-87.5122.6165.6-68.5-59.6152.200108.9K597E522-K597 WeakPolarHBondContact OE1-CB 3.36Å; E522-K597 WeakPolarHBondContact OE1-CG 3.08Å; E522-K597 PolarHBondContact OE2-N 3.19Å
523V94.4Very high90Very high4 Ų455.1 Ų55.12%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-114.1130.8-176.2169.60000109.3Y499 P594 R595 G596 W598 L620 L622Y499-V523 HydrophobicContact CD1-CG2 4.2Å; Y499-V523 HydrophobicContact CD2-CG1 4.48Å; Y499-V523 HydrophobicContact CD2-CG2 4.08Å; Y499-V523 HydrophobicContact CE1-CB 4.38Å; Y499-V523 HydrophobicContact CE1-CG1 4.31Å; Y499-V523 HydrophobicContact CE1-CG2 4.25Å; Y499-V523 HydrophobicContact CE2-CB 4.45Å; Y499-V523 HydrophobicContact CE2-CG1 3.76Å; Y499-V523 HydrophobicContact CE2-CG2 4.15Å; Y499-V523 HydrophobicContact CG-CG2 4.12Å; V523-P594 HydrophobicContact CG1-CB 4.35Å; V523-P594 VanDerWaalsContact CG1-O 3.23Å; V523-P594 WeakPolarHBondContact CG1-O 3.49Å; V523-R595 CarbonylContact O-C 3.52Å; V523-R595 WeakPolarHBondContact O-CA 3.4Å; V523-G596 PolarHBondContact N-O 3.27Å; V523-G596 PolarHBondContact O-N 2.85Å; V523-W598 HydrophobicContact CG2-CG 4.18Å; V523-L620 HydrophobicContact CG2-CD2 3.8Å; V523-L622 HydrophobicContact CG1-CD1 3.72Å
524N90.3Very high90.2Very high70 Ų7056 Ų5637%0.37432%0.319SS..  trans-113.23.7-178.662.54.6000114.2Y499 C526 E527Y499-N524 PolarHBondContact OH-N 2.85Å; Y499-N524 PolarHBondContact OH-OD1 3.21Å; Y499-N524 VanDerWaalsContact OH-OD1 3.08Å; N524-C526 PolarHBondContact OD1-N 3.5Å; N524-E527 WeakPolarHBondContact ND2-CG 3.32Å
525G79.4Confident90.3Very high1 Ų150.4 Ų50.41%0.0129%0.289CS..SBendtrans89.917.4178.100000114.9Y499 P531 V532Y499-G525 PolarHBondContact OH-N 2.89Å; G525-P531 CarbonylContact O-C 3.06Å; G525-P531 WeakPolarHBondContact O-CA 3.46Å; G525-P531 WeakPolarHBondContact O-CB 3.44Å; G525-V532 PolarHBondContact O-N 2.82Å
526C82Confident90.4Very high35 Ų3549.4 Ų49.424%0.23629%0.285CS..  trans94.5121.8-173.3-85.40000113.2C497 Y499 N524 S528C497-C526 WeakPolarHBondContact CA-SG 3.2Å; C497-C526 HydrophobicContact CB-CB 4.34Å; C497-C526 WeakPolarHBondContact CB-SG 3.37Å; C497-C526 WeakPolarHBondContact SG-CB 3.5Å; C497-C526 CovalentContact SG-SG 2.01Å; C497-C526 PolarHBondContact SG-SG 2.79Å; Y499-C526 PolarHBondContact OH-N 3.35Å; N524-C526 PolarHBondContact OD1-N 3.5Å; C526-S528 VanDerWaalsContact C-N 3.34Å
527E68.9Low90.5Very high168 Ų16844.6 Ų44.679%0.78526%0.263SS*.SBendtrans-70.3-27.7175.3-75.3-175.7175.800113.4N524N524-E527 WeakPolarHBondContact ND2-CG 3.32Å
528S69.5Low90.6Very high106 Ų10642.4 Ų42.474%0.74125%0.252SS*.SBendtrans-141.8130.9-173.8-67.50000110.8C526C526-S528 VanDerWaalsContact C-N 3.34Å
529G79Confident90.7Very high72 Ų7239.8 Ų39.874%0.74224%0.237SC*.SBendtrans97.3-159.3179.200000113.8
530T86.8Confident90.7Very high71 Ų7139.4 Ų39.444%0.43624%0.235SC..SBendtrans-74.5125.9178.8-49.60000109.9H495 A626H495-T530 WeakPolarHBondContact CD2-CG2 3.44Å; H495-T530 VanDerWaalsContact NE2-CG2 3.28Å; H495-T530 WeakPolarHBondContact NE2-CG2 3.41Å; T530-A626 HydrophobicContact CG2-CB 3.71Å
531P91.4Very high90.6Very high46 Ų4638 Ų3830%0.29923%0.225SC..  trans-72.9155-176.330.4-36000112.3G525 L533 A626G525-P531 CarbonylContact O-C 3.06Å; G525-P531 WeakPolarHBondContact O-CA 3.46Å; G525-P531 WeakPolarHBondContact O-CB 3.44Å; P531-L533 HydrophobicContact CB-CD2 4.35Å; P531-L533 HydrophobicContact CB-CG 4.2Å; P531-L533 HydrophobicContact CG-CD1 4.41Å; P531-L533 HydrophobicContact CG-CG 4.3Å; P531-A626 HydrophobicContact CG-CB 4.12Å; P531-A626 WeakPolarHBondContact O-CA 3.27Å; P531-A626 WeakPolarHBondContact O-CB 3.33Å; P531-A626 PolarHBondContact O-N 3.29Å
532V94.6Very high90.5Very high0 Ų037 Ų370%022%0.219CC..  trans-98.3114.1163175.10000107.2H495 C497 G525 L535 P594H495-V532 HydrophobicContact CB-CG2 4.07Å; C497-V532 HydrophobicContact CB-CG2 4.27Å; C497-V532 WeakPolarHBondContact SG-CG2 3.48Å; G525-V532 PolarHBondContact O-N 2.82Å; V532-L535 HydrophobicContact CG1-CD2 4.04Å; V532-P594 HydrophobicContact CG1-CG 4.37Å; V532-P594 WeakPolarHBondContact O-CG 3.33Å
533L94.8Very high90.4Very high37 Ų3731.8 Ų31.819%0.19420%0.196CC..  trans-116.8-25179.8-64.3-177.6000112.7P531 D593 P594 T625 H636P531-L533 HydrophobicContact CB-CD2 4.35Å; P531-L533 HydrophobicContact CB-CG 4.2Å; P531-L533 HydrophobicContact CG-CD1 4.41Å; P531-L533 HydrophobicContact CG-CG 4.3Å; L533-D593 WeakPolarHBondContact O-CA 3.47Å; L533-P594 VanDerWaalsContact O-CD 3.31Å; L533-P594 WeakPolarHBondContact O-CD 3.06Å; L533-T625 PolarHBondContact N-O 2.84Å; L533-H636 PolarHBondContact O-CD2 3.2Å; L533-H636 PolarHBondContact O-NE2 2.89Å
534Y96.8Very high90.1Very high21 Ų2131.7 Ų31.78%0.08220%0.195CC..EExtended strand (participates in β ladder)trans-122.3108.3177.3-55.4-94.8000108.3G624 T625 A626 E627 P628 P634 R635 H636Y534-G624 CarbonylContact O-C 3.58Å; Y534-G624 WeakPolarHBondContact O-CA 3.41Å; Y534-T625 PolarHBondContact N-O 3.06Å; Y534-T625 PolarHBondContact O-N 3.47Å; Y534-A626 WeakPolarHBondContact CE2-O 3.45Å; Y534-E627 VanDerWaalsContact CD2-O 3.3Å; Y534-E627 WeakPolarHBondContact CD2-O 3.11Å; Y534-E627 VanDerWaalsContact CE2-C 3.41Å; Y534-P628 HydrophobicContact CD1-CB 4.4Å; Y534-P628 HydrophobicContact CE1-CB 3.98Å; Y534-P628 HydrophobicContact CE1-CG 3.91Å; Y534-P628 HydrophobicContact CE2-CB 4.49Å; Y534-P628 HydrophobicContact CE2-CG 4.03Å; Y534-P628 VanDerWaalsContact CE2-N 3.32Å; Y534-P628 WeakPolarHBondContact OH-CG 3.46Å; Y534-P634 WeakPolarHBondContact CE1-O 3.39Å; Y534-R635 VanDerWaalsContact OH-CA 3.3Å; Y534-R635 WeakPolarHBondContact OH-CA 3.47Å; Y534-H636 AromaticContact CD1-CD2 3.56Å; Y534-H636 AromaticContact CD1-NE2 3.47Å; Y534-H636 WeakPolarHBondContact CD1-NE2 3Å; Y534-H636 AromaticContact CE1-CD2 3.27Å; Y534-H636 WeakPolarHBondContact CE1-CD2 3.26Å; Y534-H636 AromaticContact CE1-NE2 3.53Å; Y534-H636 AromaticContact CZ-CD2 3.66Å; Y534-H636 PolarHBondContact OH-N 3.23Å; Y534-H636 VanDerWaalsContact OH-N 3.12Å
535L98.2Very high90.2Very high1 Ų135 Ų351%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-68.1148.2-176.8-73173.4000112.9V532 V538 T589 W590 G591 E592 P594 W598 L622V532-L535 HydrophobicContact CG1-CD2 4.04Å; L535-V538 HydrophobicContact CD1-CG2 3.97Å; L535-V538 HydrophobicContact CD2-CG2 3.98Å; L535-V538 HydrophobicContact CG-CG2 4.47Å; L535-T589 WeakPolarHBondContact CB-O 3.33Å; L535-W590 CarbonylContact O-C 3.54Å; L535-W590 WeakPolarHBondContact O-CA 3.47Å; L535-G591 PolarHBondContact O-N 3.17Å; L535-E592 HydrophobicContact CD1-CB 4.2Å; L535-E592 WeakPolarHBondContact CG-O 3.08Å; L535-E592 PolarHBondContact N-O 2.8Å; L535-P594 HydrophobicContact CD1-CB 4.05Å; L535-P594 HydrophobicContact CD2-CB 3.97Å; L535-P594 HydrophobicContact CD2-CG 4.37Å; L535-P594 HydrophobicContact CG-CB 4.03Å; L535-P594 HydrophobicContact CG-CG 4.39Å; L535-W598 HydrophobicContact CD1-CH2 3.97Å; L535-W598 HydrophobicContact CD1-CZ2 3.8Å; L535-L622 HydrophobicContact CD2-CB 3.93Å; L535-L622 HydrophobicContact CD2-CD2 4.03Å; L535-L622 HydrophobicContact CD2-CG 4.42Å
536E98.5Very high90.9Very high1 Ų135 Ų351%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-121.5-62.3166.1-65.2-179.9162.700109.1R437 H441 Q494 W590 Y623R437-E536 IonicContact CZ-OE1 3.45Å; R437-E536 IonicContact CZ-OE2 3.71Å; R437-E536 VanDerWaalsContact CZ-OE2 3.27Å; R437-E536 IonicContact NE-OE1 3.48Å; R437-E536 PolarHBondContact NE-OE1 3.37Å; R437-E536 IonicContact NE-OE2 3.6Å; R437-E536 PolarHBondContact NE-OE2 3.2Å; R437-E536 IonicContact NH2-OE1 2.71Å; R437-E536 PolarHBondContact NH2-OE1 3.29Å; R437-E536 IonicContact NH2-OE2 3.27Å; R437-E536 PolarHBondContact NH2-OE2 2.96Å; H441-E536 IonicContact CD2-OE1 2.67Å; H441-E536 IonicContact CE1-OE1 2.7Å; H441-E536 IonicContact NE2-OE1 3.26Å; H441-E536 PolarHBondContact NE2-OE1 2.81Å; Q494-E536 WeakPolarHBondContact CG-OE2 3.49Å; Q494-E536 PolarHBondContact NE2-OE2 3.24Å; E536-W590 HydrophobicContact CB-CD2 4.21Å; E536-W590 HydrophobicContact CB-CE3 4.47Å; E536-W590 HydrophobicContact CB-CH2 3.97Å; E536-W590 HydrophobicContact CB-CZ2 3.69Å; E536-W590 HydrophobicContact CB-CZ3 4.36Å; E536-W590 HydrophobicContact CG-CZ2 3.77Å; E536-W590 WeakPolarHBondContact O-CZ3 3.28Å; E536-Y623 PolarHBondContact N-O 3.08Å
537H98.6Very high91.4Very high1 Ų135.1 Ų35.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-119.4139.9179.8-52.986.5000110.5V358 Q440 L585 W590 Y623V358-H537 HydrophobicContact CB-CB 4.34Å; V358-H537 HydrophobicContact CG1-CB 3.72Å; V358-H537 PolarHBondContact O-NE2 3.2Å; Q440-H537 PolarHBondContact NE2-NE2 2.82Å; Q440-H537 PolarHBondContact OE1-CE1 3.18Å; Q440-H537 PolarHBondContact OE1-NE2 2.96Å; H537-L585 HydrophobicContact CB-CD1 3.8Å; H537-W590 AromaticContact CE1-CH2 3.58Å; H537-W590 AromaticContact CE1-CZ3 3.87Å; H537-W590 AromaticContact NE2-CH2 3.73Å; H537-W590 AromaticContact NE2-CZ3 3.63Å; H537-Y623 HydrophobicContact CB-CD2 3.91Å; H537-Y623 HydrophobicContact CB-CG 4.05Å; H537-Y623 PolarHBondContact N-O 2.87Å; H537-Y623 WeakPolarHBondContact O-CB 3.13Å; H537-Y623 WeakPolarHBondContact O-CD2 3.47Å; H537-Y623 PolarHBondContact O-N 2.86Å
538V98.5Very high92.7Very high1 Ų129 Ų291%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-121.6121170.7175.80000108.7L535 L556 S586 T589 W598 L620 L621 L622L535-V538 HydrophobicContact CD1-CG2 3.97Å; L535-V538 HydrophobicContact CD2-CG2 3.98Å; L535-V538 HydrophobicContact CG-CG2 4.47Å; V538-L556 HydrophobicContact CG1-CD2 3.62Å; V538-S586 PolarHBondContact N-O 2.88Å; V538-S586 PolarHBondContact O-N 3.48Å; V538-T589 VanDerWaalsContact CG2-OG1 3.24Å; V538-T589 WeakPolarHBondContact CG2-OG1 3.06Å; V538-W598 HydrophobicContact CG1-CH2 4.22Å; V538-W598 HydrophobicContact CG1-CZ3 4.07Å; V538-W598 HydrophobicContact CG2-CH2 3.95Å; V538-L620 HydrophobicContact CG1-CD1 3.6Å; V538-L621 WeakPolarHBondContact CA-O 3.2Å; V538-L622 HydrophobicContact CB-CD2 4.37Å; V538-L622 HydrophobicContact CG1-CD2 3.92Å; V538-L622 HydrophobicContact CG2-CD2 3.76Å
539Q98.1Very high93.9Very high15 Ų1524.3 Ų24.37%0.0715%0.146CC..EExtended strand (participates in β ladder)trans-110.9140174-76.2-177.6-37.200111.5T356 V358 F584 L585 L621 Y623T356-Q539 PolarHBondContact O-NE2 2.83Å; V358-Q539 HydrophobicContact CG1-CG 4.25Å; Q539-F584 CarbonylContact C-O 3.44Å; Q539-F584 WeakPolarHBondContact CA-O 3.41Å; Q539-L585 HydrophobicContact CG-CB 4.32Å; Q539-L585 HydrophobicContact CG-CD1 3.88Å; Q539-L621 HydrophobicContact CB-CB 4.05Å; Q539-L621 PolarHBondContact N-O 2.92Å; Q539-L621 PolarHBondContact O-N 2.85Å; Q539-Y623 HydrophobicContact CB-CE2 4.29Å; Q539-Y623 HydrophobicContact CG-CE2 4.17Å; Q539-Y623 PolarHBondContact OE1-OH 3.07Å
540V97.8Very high94.7Very high0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-115.5116169.9168.40000108.2A542 L556 L566 F584 L600 W618 S619 L620V540-A542 HydrophobicContact CG1-CB 4.17Å; V540-L556 HydrophobicContact CG2-CD1 4.04Å; V540-L556 HydrophobicContact CG2-CD2 3.77Å; V540-L556 HydrophobicContact CG2-CG 4.43Å; V540-L566 HydrophobicContact CB-CD1 3.67Å; V540-L566 HydrophobicContact CG1-CD1 4.09Å; V540-L566 HydrophobicContact CG2-CD1 3.66Å; V540-F584 HydrophobicContact CB-CB 4.42Å; V540-F584 PolarHBondContact N-O 3.25Å; V540-F584 PolarHBondContact O-N 3.49Å; V540-L600 HydrophobicContact CG1-CD1 4.28Å; V540-L600 HydrophobicContact CG1-CD2 4.04Å; V540-W618 HydrophobicContact CG1-CE3 3.91Å; V540-W618 HydrophobicContact CG2-CE3 4.17Å; V540-W618 HydrophobicContact CG2-CZ3 3.99Å; V540-S619 WeakPolarHBondContact CA-O 3.41Å; V540-L620 HydrophobicContact CG2-CD1 4.14Å
541L95.2Very high95.2Very high9 Ų918.4 Ų18.45%0.04710%0.095CC..EExtended strand (participates in β ladder)trans-94.4110.4168.1-62.3171.1000106.9K581 P583 W618 S619 L621L541-K581 VanDerWaalsContact CD2-O 3.29Å; L541-K581 WeakPolarHBondContact CD2-O 3.33Å; L541-P583 HydrophobicContact CD2-CB 3.69Å; L541-W618 CarbonylContact O-C 3.56Å; L541-W618 WeakPolarHBondContact O-CA 3.46Å; L541-S619 PolarHBondContact N-O 2.94Å; L541-S619 PolarHBondContact O-N 3.04Å; L541-L621 HydrophobicContact CD1-CD1 3.68Å; L541-L621 HydrophobicContact CD1-CD2 4.2Å; L541-L621 HydrophobicContact CG-CD1 4.1Å
542A92.5Very high95.4Very high0 Ų016.2 Ų16.20%08%0.081CC..EExtended strand (participates in β ladder)trans-119.9145.7179.500000111.4V540 F544 K581 L600 W618V540-A542 HydrophobicContact CG1-CB 4.17Å; A542-F544 HydrophobicContact CB-CD1 4.2Å; A542-F544 HydrophobicContact CB-CE1 4.03Å; A542-K581 PolarHBondContact O-N 3.2Å; A542-K581 VanDerWaalsContact O-N 3.12Å; A542-L600 HydrophobicContact CB-CD2 4.43Å; A542-W618 HydrophobicContact CB-CB 4.06Å
543T92.4Very high95.5Very high9 Ų917.7 Ų17.76%0.0559%0.087CC..EExtended strand (participates in β ladder)trans-122.8118.5177.4-50.70000110.8I579 H580 H616 D617T543-I579 CarbonylContact C-O 3.58Å; T543-I579 VanDerWaalsContact CA-O 3.3Å; T543-I579 WeakPolarHBondContact CA-O 3.4Å; T543-H580 WeakPolarHBondContact CG2-ND1 3.48Å; T543-H616 HydrophobicContact CG2-CB 3.97Å; T543-H616 WeakPolarHBondContact O-CB 3.42Å; T543-H616 PolarHBondContact O-N 2.76Å; T543-D617 WeakPolarHBondContact CB-OD1 3.37Å; T543-D617 PolarHBondContact N-O 3.44Å; T543-D617 PolarHBondContact OG1-OD1 2.88Å
544F89.9Confident95.7Very high2 Ų215.9 Ų15.91%0.0098%0.078CC..EExtended strand (participates in β ladder)trans-148.4145.5175.945.6-97.9000112A542 L552 L554 G578 I579 T614A542-F544 HydrophobicContact CB-CD1 4.2Å; A542-F544 HydrophobicContact CB-CE1 4.03Å; F544-L552 HydrophobicContact CD2-CD1 3.26Å; F544-L552 HydrophobicContact CE2-CD1 3.08Å; F544-L552 HydrophobicContact CE2-CG 4.41Å; F544-L552 HydrophobicContact CG-CD1 4.22Å; F544-L552 HydrophobicContact CZ-CD1 3.92Å; F544-L554 HydrophobicContact CE1-CD1 3.8Å; F544-L554 HydrophobicContact CE1-CD2 4Å; F544-L554 HydrophobicContact CE1-CG 4.45Å; F544-L554 HydrophobicContact CZ-CD1 3.92Å; F544-L554 HydrophobicContact CZ-CD2 4.22Å; F544-L554 HydrophobicContact CZ-CG 4.43Å; F544-G578 CarbonylContact O-C 3.07Å; F544-G578 VanDerWaalsContact O-CA 3.28Å; F544-G578 WeakPolarHBondContact O-CA 3.27Å; F544-I579 HydrophobicContact CD1-CB 4.4Å; F544-I579 HydrophobicContact CD2-CB 3.9Å; F544-I579 HydrophobicContact CD2-CG1 4.19Å; F544-I579 HydrophobicContact CE1-CB 3.95Å; F544-I579 HydrophobicContact CE1-CD1 4.17Å; F544-I579 HydrophobicContact CE1-CG1 4.46Å; F544-I579 HydrophobicContact CE1-CG2 4.43Å; F544-I579 HydrophobicContact CE2-CB 3.36Å; F544-I579 HydrophobicContact CE2-CD1 3.3Å; F544-I579 HydrophobicContact CE2-CG1 3.28Å; F544-I579 HydrophobicContact CG-CB 4.42Å; F544-I579 HydrophobicContact CZ-CB 3.47Å; F544-I579 VanDerWaalsContact CZ-CB 3.47Å; F544-I579 HydrophobicContact CZ-CD1 3.1Å; F544-I579 HydrophobicContact CZ-CG1 3.52Å; F544-I579 HydrophobicContact CZ-CG2 4.23Å; F544-I579 PolarHBondContact N-O 3.45Å; F544-I579 PolarHBondContact O-N 3.29Å; F544-T614 CarbonylContact C-O 3.57Å; F544-T614 VanDerWaalsContact CA-O 3.26Å; F544-T614 WeakPolarHBondContact CA-O 3.46Å
545R92.3Very high95.8Very high139 Ų13915 Ų1553%0.5258%0.075SC..EExtended strand (participates in β ladder)trans-103.6139165.4-58-169.176.2172.94.7108.5G613 T614R545-G613 CarbonylContact O-C 3.59Å; R545-G613 WeakPolarHBondContact O-CA 3.46Å; R545-T614 PolarHBondContact N-O 3.29Å; R545-T614 PolarHBondContact O-N 2.87Å
546F94Very high95.8Very high2 Ų215.1 Ų15.11%0.0098%0.075CC..EExtended strand (participates in β ladder)trans-156.3136.2176.3-159.8-115.1000110I511 F515 K548 D551 L552 S576 S604 V611I511-F546 HydrophobicContact CD1-CD2 3.6Å; I511-F546 HydrophobicContact CD1-CE2 4.09Å; I511-F546 HydrophobicContact CD1-CG 4.47Å; I511-F546 HydrophobicContact CG1-CD2 3.93Å; I511-F546 HydrophobicContact CG1-CE2 4.15Å; F515-F546 HydrophobicContact CD1-CE2 4.49Å; F515-F546 HydrophobicContact CE1-CD2 4.42Å; F515-F546 AromaticContact CE1-CE2 3.61Å; F515-F546 HydrophobicContact CE1-CE2 3.61Å; F515-F546 AromaticContact CE1-CZ 3.81Å; F515-F546 HydrophobicContact CE1-CZ 3.81Å; F515-F546 HydrophobicContact CZ-CE2 4.44Å; F546-K548 WeakPolarHBondContact CD1-O 3.43Å; F546-K548 PolarHBondContact O-N 3.15Å; F546-D551 HydrophobicContact CE1-CB 4.21Å; F546-L552 HydrophobicContact CB-CD1 3.73Å; F546-L552 HydrophobicContact CB-CD2 4.5Å; F546-L552 HydrophobicContact CB-CG 4.31Å; F546-L552 HydrophobicContact CD1-CD1 4.17Å; F546-L552 HydrophobicContact CD1-CD2 3.82Å; F546-L552 HydrophobicContact CD1-CG 3.8Å; F546-L552 HydrophobicContact CD2-CD2 4.39Å; F546-L552 HydrophobicContact CE1-CD2 4.09Å; F546-L552 HydrophobicContact CE1-CG 4.4Å; F546-L552 HydrophobicContact CG-CD1 4.09Å; F546-L552 HydrophobicContact CG-CD2 3.99Å; F546-L552 HydrophobicContact CG-CG 4.15Å; F546-L552 HydrophobicContact CZ-CD2 4.49Å; F546-S576 WeakPolarHBondContact O-CA 3.42Å; F546-S604 WeakPolarHBondContact CE1-OG 3.23Å; F546-S604 WeakPolarHBondContact CZ-OG 3.17Å; F546-V611 HydrophobicContact CE1-CG1 3.89Å; F546-V611 HydrophobicContact CE1-CG2 4.44Å; F546-V611 HydrophobicContact CE2-CG1 4.33Å; F546-V611 HydrophobicContact CZ-CG1 3.57Å
547G92.7Very high95.8Very high36 Ų3615.3 Ų15.337%0.3718%0.076SC..SBendtrans-60.2-15.4-172.500000115.6G612G547-G612 PolarHBondContact N-O 3.36Å
548K94.5Very high95.8Very high39 Ų3915.6 Ų15.617%0.178%0.078CC..SBendtrans-144.294.5166.4180170.2177.2-136.50110F546 G550 D551 P571 D573 F574F546-K548 WeakPolarHBondContact CD1-O 3.43Å; F546-K548 PolarHBondContact O-N 3.15Å; K548-G550 PolarHBondContact O-N 3.11Å; K548-G550 VanDerWaalsContact O-N 3.13Å; K548-D551 WeakPolarHBondContact CD-OD1 3.45Å; K548-D551 WeakPolarHBondContact CE-OD1 3.48Å; K548-D551 HydrophobicContact CG-CB 4.47Å; K548-D551 IonicContact NZ-OD1 2.74Å; K548-D551 PolarHBondContact NZ-OD1 3.41Å; K548-D551 PolarHBondContact O-N 2.8Å; K548-P571 WeakPolarHBondContact CE-O 3.41Å; K548-P571 PolarHBondContact NZ-O 3.22Å; K548-D573 WeakPolarHBondContact CG-O 3.28Å; K548-F574 HydrophobicContact CD-CD1 3.79Å; K548-F574 HydrophobicContact CD-CE1 3.99Å; K548-F574 HydrophobicContact CG-CD1 4.37Å
549R95.3Very high95.8Very high8 Ų816.5 Ų16.53%0.038%0.084CC..G310 helixtrans-48-41.7-178-179.7171.472.8-1751.1113D24 R307 F309 D551 L552 D573 N575 G578 I579D24-R549 IonicContact OD1-CZ 3.45Å; D24-R549 IonicContact OD1-NH1 2.75Å; D24-R549 PolarHBondContact OD1-NH1 2.68Å; D24-R549 IonicContact OD1-NH2 3.21Å; D24-R549 IonicContact OD2-CZ 3.98Å; D24-R549 IonicContact OD2-NH1 3.36Å; D24-R549 PolarHBondContact OD2-NH1 3.26Å; D24-R549 IonicContact OD2-NH2 2.88Å; D24-R549 PolarHBondContact OD2-NH2 2.86Å; R307-R549 PolarHBondContact O-NH2 3.47Å; F309-R549 VanDerWaalsContact CD2-CZ 3.43Å; R549-D551 PolarHBondContact O-N 2.73Å; R549-D551 VanDerWaalsContact O-N 3.16Å; R549-L552 WeakPolarHBondContact O-CB 3.42Å; R549-L552 PolarHBondContact O-N 3.47Å; R549-L552 VanDerWaalsContact O-N 3.09Å; R549-D573 WeakPolarHBondContact CG-OD2 3.31Å; R549-D573 IonicContact CZ-OD1 3.65Å; R549-D573 IonicContact CZ-OD2 3.11Å; R549-D573 VanDerWaalsContact NE-CG 3.34Å; R549-D573 IonicContact NE-OD1 3.29Å; R549-D573 PolarHBondContact NE-OD1 2.69Å; R549-D573 IonicContact NE-OD2 3.66Å; R549-D573 PolarHBondContact NE-OD2 2.73Å; R549-D573 IonicContact NH2-OD1 2.8Å; R549-D573 PolarHBondContact NH2-OD1 2.75Å; R549-D573 IonicContact NH2-OD2 3.63Å; R549-D573 PolarHBondContact NH2-OD2 3.22Å; R549-N575 HydrophobicContact CB-CB 4.37Å; R549-N575 WeakPolarHBondContact CB-O 3.23Å; R549-N575 PolarHBondContact N-O 2.93Å; R549-N575 PolarHBondContact NH1-ND2 2.81Å; R549-G578 WeakPolarHBondContact CD-O 3.46Å; R549-I579 HydrophobicContact CG-CD1 4.16Å; R549-I579 HydrophobicContact CG-CG1 3.86Å
550G96.1Very high95.6Very high2 Ų219.4 Ų19.42%0.0219%0.094CC..G310 helixtrans-62.5-17.2-179.900000117K548 L552 P569 R570 D573K548-G550 PolarHBondContact O-N 3.11Å; K548-G550 VanDerWaalsContact O-N 3.13Å; G550-L552 PolarHBondContact O-N 3.11Å; G550-P569 CarbonylContact O-C 3.51Å; G550-P569 WeakPolarHBondContact O-CA 3.09Å; G550-R570 WeakPolarHBondContact CA-O 3.47Å; G550-R570 CarbonylContact O-C 3.47Å; G550-R570 PolarHBondContact O-N 2.85Å; G550-D573 WeakPolarHBondContact CA-O 3.48Å; G550-D573 PolarHBondContact N-O 3.33Å
551D96.6Very high95.5Very high17 Ų1720.3 Ų20.39%0.09110%0.104CC..G310 helixtrans-81.5-5.8176.6-72.6-7.2000112.3F546 K548 R549 S604 V605 S606F546-D551 HydrophobicContact CE1-CB 4.21Å; K548-D551 WeakPolarHBondContact CD-OD1 3.45Å; K548-D551 WeakPolarHBondContact CE-OD1 3.48Å; K548-D551 HydrophobicContact CG-CB 4.47Å; K548-D551 IonicContact NZ-OD1 2.74Å; K548-D551 PolarHBondContact NZ-OD1 3.41Å; K548-D551 PolarHBondContact O-N 2.8Å; R549-D551 PolarHBondContact O-N 2.73Å; R549-D551 VanDerWaalsContact O-N 3.16Å; D551-S604 CarbonylContact O-C 3.57Å; D551-S604 VanDerWaalsContact O-CA 3.3Å; D551-S604 WeakPolarHBondContact O-CA 3.49Å; D551-V605 HydrophobicContact CB-CG2 4.48Å; D551-V605 WeakPolarHBondContact O-CG2 3.45Å; D551-V605 PolarHBondContact O-N 2.83Å; D551-S606 WeakPolarHBondContact OD2-CA 3.33Å; D551-S606 WeakPolarHBondContact OD2-CB 3.4Å; D551-S606 PolarHBondContact OD2-OG 3.37Å
552L96.4Very high95.7Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-85.1143.8-179.2-64.4171.4000112F515 F544 F546 R549 G550 V602 E603F515-L552 HydrophobicContact CE1-CD2 4.37Å; F515-L552 HydrophobicContact CZ-CD2 3.87Å; F544-L552 HydrophobicContact CD2-CD1 3.26Å; F544-L552 HydrophobicContact CE2-CD1 3.08Å; F544-L552 HydrophobicContact CE2-CG 4.41Å; F544-L552 HydrophobicContact CG-CD1 4.22Å; F544-L552 HydrophobicContact CZ-CD1 3.92Å; F546-L552 HydrophobicContact CB-CD1 3.73Å; F546-L552 HydrophobicContact CB-CD2 4.5Å; F546-L552 HydrophobicContact CB-CG 4.31Å; F546-L552 HydrophobicContact CD1-CD1 4.17Å; F546-L552 HydrophobicContact CD1-CD2 3.82Å; F546-L552 HydrophobicContact CD1-CG 3.8Å; F546-L552 HydrophobicContact CD2-CD2 4.39Å; F546-L552 HydrophobicContact CE1-CD2 4.09Å; F546-L552 HydrophobicContact CE1-CG 4.4Å; F546-L552 HydrophobicContact CG-CD1 4.09Å; F546-L552 HydrophobicContact CG-CD2 3.99Å; F546-L552 HydrophobicContact CG-CG 4.15Å; F546-L552 HydrophobicContact CZ-CD2 4.49Å; R549-L552 WeakPolarHBondContact O-CB 3.42Å; R549-L552 PolarHBondContact O-N 3.47Å; R549-L552 VanDerWaalsContact O-N 3.09Å; G550-L552 PolarHBondContact O-N 3.11Å; L552-V602 HydrophobicContact CD2-CG1 4.5Å; L552-E603 CarbonylContact C-O 3.59Å; L552-E603 WeakPolarHBondContact CA-O 3.44Å
553K97.4Very high96Very high31 Ų3121.3 Ų21.314%0.13511%0.112CC..EExtended strand (participates in β ladder)trans-128.8132.7170.4172.7-178.4168.5-128.60109.3V565 L567 P569 E603K553-V565 HydrophobicContact CG-CG1 4.45Å; K553-L567 CarbonylContact C-O 3.58Å; K553-L567 VanDerWaalsContact CA-O 3.28Å; K553-L567 WeakPolarHBondContact CA-O 3.32Å; K553-P569 HydrophobicContact CB-CG 4.1Å; K553-E603 HydrophobicContact CB-CB 4.2Å; K553-E603 WeakPolarHBondContact CD-OE2 3.43Å; K553-E603 WeakPolarHBondContact CE-OE2 3.35Å; K553-E603 PolarHBondContact N-O 3.06Å; K553-E603 IonicContact NZ-OE1 3.64Å; K553-E603 PolarHBondContact NZ-OE1 2.81Å; K553-E603 IonicContact NZ-OE2 2.78Å; K553-E603 PolarHBondContact NZ-OE2 3.33Å; K553-E603 PolarHBondContact O-N 2.84Å
554L98Very high96.2Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-116.8125-179.8-54.4-178000109.4F544 V565 L566 L567 F584 L600 M601 V602F544-L554 HydrophobicContact CE1-CD1 3.8Å; F544-L554 HydrophobicContact CE1-CD2 4Å; F544-L554 HydrophobicContact CE1-CG 4.45Å; F544-L554 HydrophobicContact CZ-CD1 3.92Å; F544-L554 HydrophobicContact CZ-CD2 4.22Å; F544-L554 HydrophobicContact CZ-CG 4.43Å; L554-V565 CarbonylContact O-C 3.57Å; L554-L566 HydrophobicContact CB-CB 4.1Å; L554-L566 PolarHBondContact O-N 3.35Å; L554-L567 HydrophobicContact CB-CB 4.09Å; L554-L567 HydrophobicContact CD1-CB 4.15Å; L554-L567 HydrophobicContact CD1-CD2 4.36Å; L554-L567 HydrophobicContact CG-CB 4.05Å; L554-L567 HydrophobicContact CG-CD2 4.47Å; L554-L567 PolarHBondContact N-O 2.99Å; L554-L567 PolarHBondContact O-N 2.9Å; L554-F584 HydrophobicContact CD1-CD2 3.99Å; L554-F584 HydrophobicContact CD1-CE1 4.48Å; L554-F584 HydrophobicContact CD1-CE2 3.54Å; L554-F584 HydrophobicContact CD1-CZ 3.84Å; L554-L600 HydrophobicContact CB-CD1 4.47Å; L554-M601 WeakPolarHBondContact CA-O 3.36Å; L554-V602 HydrophobicContact CD2-CB 4.25Å; L554-V602 HydrophobicContact CD2-CG1 3.89Å; L554-V602 HydrophobicContact CD2-CG2 3.92Å
555T98.6Very high96.6Very high2 Ų222.6 Ų22.61%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-127.3126.7175.5-49.60000109.9F557 S563 S564 V565 M601T555-F557 HydrophobicContact CG2-CD2 4.33Å; T555-F557 HydrophobicContact CG2-CE1 4.2Å; T555-F557 HydrophobicContact CG2-CE2 3.65Å; T555-F557 HydrophobicContact CG2-CZ 3.57Å; T555-S563 WeakPolarHBondContact CG2-OG 3.3Å; T555-S564 CarbonylContact C-O 3.41Å; T555-S564 WeakPolarHBondContact CA-O 3.27Å; T555-V565 HydrophobicContact CG2-CG2 4.25Å; T555-M601 PolarHBondContact N-O 3.4Å; T555-M601 PolarHBondContact O-N 3.38Å
556L98.7Very high96.9Very high3 Ų316 Ų162%0.01610%0.095CC..EExtended strand (participates in β ladder)trans-101.3131.7175.8-174.967.4000110.1V538 V540 S563 S564 L566 W598 L600 W618 L620V538-L556 HydrophobicContact CG1-CD2 3.62Å; V540-L556 HydrophobicContact CG2-CD1 4.04Å; V540-L556 HydrophobicContact CG2-CD2 3.77Å; V540-L556 HydrophobicContact CG2-CG 4.43Å; L556-S563 WeakPolarHBondContact O-CA 3.21Å; L556-S564 PolarHBondContact N-O 3.14Å; L556-S564 PolarHBondContact O-N 3.03Å; L556-L566 HydrophobicContact CB-CD1 3.81Å; L556-L566 HydrophobicContact CB-CD2 4.36Å; L556-L566 HydrophobicContact CB-CG 3.96Å; L556-L566 HydrophobicContact CD2-CD1 4.48Å; L556-W598 HydrophobicContact CD1-CE3 3.86Å; L556-W598 HydrophobicContact CD1-CZ3 4.45Å; L556-W598 HydrophobicContact CD2-CE3 3.84Å; L556-W598 HydrophobicContact CD2-CZ3 3.58Å; L556-W598 HydrophobicContact CG-CE3 3.78Å; L556-W598 HydrophobicContact CG-CZ3 3.89Å; L556-L600 HydrophobicContact CD1-CB 4.49Å; L556-W618 HydrophobicContact CD1-CH2 4.29Å; L556-W618 HydrophobicContact CD1-CZ3 4.21Å; L556-L620 HydrophobicContact CD2-CD1 4.29Å
557F98.6Very high97.1Very high5 Ų516.1 Ų16.12%0.02210%0.095CC..EExtended strand (participates in β ladder)trans-111.6124.8175.3-62-88.2000110.4T555 T562 S563 W598 T599 M601 F650 I653 I657T555-F557 HydrophobicContact CG2-CD2 4.33Å; T555-F557 HydrophobicContact CG2-CE1 4.2Å; T555-F557 HydrophobicContact CG2-CE2 3.65Å; T555-F557 HydrophobicContact CG2-CZ 3.57Å; F557-T562 CarbonylContact C-O 3.55Å; F557-T562 WeakPolarHBondContact CA-O 3.41Å; F557-S563 WeakPolarHBondContact CE1-OG 3.44Å; F557-W598 WeakPolarHBondContact O-CA 3.13Å; F557-T599 PolarHBondContact N-O 3.27Å; F557-T599 PolarHBondContact O-N 3.21Å; F557-T599 VanDerWaalsContact O-N 3.1Å; F557-M601 HydrophobicContact CD2-CB 4.36Å; F557-M601 HydrophobicContact CE2-CB 3.77Å; F557-M601 HydrophobicContact CE2-CE 3.83Å; F557-M601 HydrophobicContact CE2-SD 4.03Å; F557-M601 HydrophobicContact CZ-CE 3.87Å; F557-M601 HydrophobicContact CZ-SD 4.43Å; F557-F650 HydrophobicContact CB-CD2 4.04Å; F557-F650 HydrophobicContact CB-CE2 4.21Å; F557-F650 HydrophobicContact CD1-CD2 4.18Å; F557-F650 HydrophobicContact CD1-CE2 4.25Å; F557-F650 HydrophobicContact CD2-CD2 4.13Å; F557-F650 AromaticContact CD2-CE2 3.51Å; F557-F650 HydrophobicContact CD2-CE2 3.51Å; F557-F650 AromaticContact CE2-CE2 3.83Å; F557-F650 HydrophobicContact CE2-CE2 3.83Å; F557-F650 AromaticContact CG-CD2 3.84Å; F557-F650 HydrophobicContact CG-CD2 3.84Å; F557-F650 AromaticContact CG-CE2 3.72Å; F557-F650 HydrophobicContact CG-CE2 3.72Å; F557-F650 HydrophobicContact CZ-CE2 4.34Å; F557-I653 HydrophobicContact CD1-CG2 4.29Å; F557-I653 HydrophobicContact CE1-CG2 3.71Å; F557-I657 HydrophobicContact CE1-CD1 4.15Å; F557-I657 HydrophobicContact CZ-CD1 4.13Å
558S98.3Very high97.3Very high7 Ų715 Ų155%0.0498%0.081CC..  trans-80.2158.617488.60000111.6R560 G561 T562 E592S558-R560 PolarHBondContact O-N 2.86Å; S558-R560 PolarHBondContact OG-N 3.17Å; S558-G561 PolarHBondContact O-N 3.46Å; S558-G561 PolarHBondContact OG-N 3.29Å; S558-T562 PolarHBondContact N-O 3.31Å; S558-T562 WeakPolarHBondContact OG-CB 3.29Å; S558-T562 PolarHBondContact OG-N 3.22Å; S558-T562 VanDerWaalsContact OG-N 3.17Å; S558-E592 VanDerWaalsContact CB-OE2 3.3Å; S558-E592 WeakPolarHBondContact CB-OE2 3.47Å; S558-E592 PolarHBondContact OG-OE2 2.89Å
559P97.6Very high97.5Very high20 Ų2014.8 Ų14.813%0.138%0.084CC..THydrogen-bonded Turntrans-61.7-12.2173.3-2433.6000114.6R595 W598P559-R595 WeakPolarHBondContact CB-O 3.44Å; P559-W598 VanDerWaalsContact CD-NE1 3.28Å; P559-W598 HydrophobicContact CG-CD2 4.45Å; P559-W598 HydrophobicContact CG-CG 4.2Å
560R95.3Very high97.6Very high76 Ų7614.6 Ų14.629%0.2878%0.083SC..THydrogen-bonded Turntrans-99.13.6176.1-56.6-63.884101.48.3112.7S558 E592 D593 R595S558-R560 PolarHBondContact O-N 2.86Å; S558-R560 PolarHBondContact OG-N 3.17Å; R560-E592 HydrophobicContact CB-CG 4.45Å; R560-E592 HydrophobicContact CG-CB 4.25Å; R560-E592 HydrophobicContact CG-CG 4.35Å; R560-D593 IonicContact NH1-OD2 3.27Å; R560-D593 PolarHBondContact NH1-OD2 2.83Å; R560-R595 PolarHBondContact NH1-O 2.82Å; R560-R595 PolarHBondContact NH2-O 3.29Å
561G95.9Very high97.6Very high20 Ų2016.5 Ų16.521%0.20610%0.095CC..  trans88.89.6176.400000114.4S558 I653S558-G561 PolarHBondContact O-N 3.46Å; S558-G561 PolarHBondContact OG-N 3.29Å; G561-I653 WeakPolarHBondContact O-CD1 3.37Å
562T98.5Very high97.5Very high2 Ų218 Ų181%0.01210%0.102CC..  trans-73.8131.8173.9-62.20000109.9N461 G462 I467 F557 S558 Q588 T589 E592N461-T562 VanDerWaalsContact CA-OG1 3.23Å; N461-T562 WeakPolarHBondContact CA-OG1 3.41Å; N461-T562 HydrophobicContact CB-CG2 4.08Å; N461-T562 WeakPolarHBondContact CB-OG1 3.17Å; G462-T562 PolarHBondContact N-OG1 2.8Å; G462-T562 VanDerWaalsContact N-OG1 3.1Å; I467-T562 HydrophobicContact CD1-CG2 3.66Å; F557-T562 CarbonylContact C-O 3.55Å; F557-T562 WeakPolarHBondContact CA-O 3.41Å; S558-T562 PolarHBondContact N-O 3.31Å; S558-T562 WeakPolarHBondContact OG-CB 3.29Å; S558-T562 PolarHBondContact OG-N 3.22Å; S558-T562 VanDerWaalsContact OG-N 3.17Å; T562-Q588 HydrophobicContact CG2-CB 4.43Å; T562-T589 HydrophobicContact CG2-CG2 3.69Å; T562-E592 VanDerWaalsContact CB-OE1 3.3Å; T562-E592 WeakPolarHBondContact CB-OE1 3.44Å; T562-E592 PolarHBondContact OG1-OE1 3.04Å; T562-E592 PolarHBondContact OG1-OE2 3.28Å
563S98.1Very high97.5Very high28 Ų2818.1 Ų18.120%0.19610%0.103CC..EExtended strand (participates in β ladder)trans-112.1115.3179.7172.80000109.7T555 L556 F557T555-S563 WeakPolarHBondContact CG2-OG 3.3Å; L556-S563 WeakPolarHBondContact O-CA 3.21Å; F557-S563 WeakPolarHBondContact CE1-OG 3.44Å
564S98.3Very high97.3Very high2 Ų223.3 Ų23.31%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-111113175.2-65.30000110.1T555 L556 L566 S586 Q588T555-S564 CarbonylContact C-O 3.41Å; T555-S564 WeakPolarHBondContact CA-O 3.27Å; L556-S564 PolarHBondContact N-O 3.14Å; L556-S564 PolarHBondContact O-N 3.03Å; S564-L566 PolarHBondContact O-N 2.96Å; S564-S586 PolarHBondContact OG-OG 3.04Å; S564-Q588 PolarHBondContact OG-OE1 3.07Å
565V98.4Very high97Very high36 Ų3625.2 Ų25.222%0.21814%0.136CC..EExtended strand (participates in β ladder)trans-74.797.4170.1179.90000107.2P380 N469 K553 L554 T555 P568P380-V565 VanDerWaalsContact CD-O 3.28Å; P380-V565 WeakPolarHBondContact CD-O 3.46Å; P380-V565 WeakPolarHBondContact CG-O 3.34Å; N469-V565 PolarHBondContact ND2-O 2.5Å; K553-V565 HydrophobicContact CG-CG1 4.45Å; L554-V565 CarbonylContact O-C 3.57Å; T555-V565 HydrophobicContact CG2-CG2 4.25Å; V565-P568 HydrophobicContact CG1-CB 4.39Å
566L98.5Very high96.6Very high1 Ų128.4 Ų28.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-69.7-35.4-176.8-65.9-178.2000112.2S350 P380 V540 L554 L556 S564 F584 L600S350-L566 WeakPolarHBondContact CB-O 3.46Å; S350-L566 PolarHBondContact OG-O 3.41Å; P380-L566 HydrophobicContact CG-CD2 3.9Å; V540-L566 HydrophobicContact CB-CD1 3.67Å; V540-L566 HydrophobicContact CG1-CD1 4.09Å; V540-L566 HydrophobicContact CG2-CD1 3.66Å; L554-L566 HydrophobicContact CB-CB 4.1Å; L554-L566 PolarHBondContact O-N 3.35Å; L556-L566 HydrophobicContact CB-CD1 3.81Å; L556-L566 HydrophobicContact CB-CD2 4.36Å; L556-L566 HydrophobicContact CB-CG 3.96Å; L556-L566 HydrophobicContact CD2-CD1 4.48Å; S564-L566 PolarHBondContact O-N 2.96Å; L566-F584 HydrophobicContact CB-CB 4.07Å; L566-F584 HydrophobicContact CB-CD1 4.4Å; L566-F584 HydrophobicContact CB-CG 4.28Å; L566-F584 HydrophobicContact CD1-CB 4.08Å; L566-F584 HydrophobicContact CD2-CB 4.33Å; L566-F584 HydrophobicContact CG-CB 4.4Å; L566-L600 HydrophobicContact CD1-CD1 4.23Å
567L97.6Very high96.1Very high4 Ų431.9 Ų31.92%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-144.4114.7175.9-178.865000108.1F309 K553 L554 I579 F584F309-L567 HydrophobicContact CZ-CD1 3.92Å; F309-L567 HydrophobicContact CZ-CD2 4.08Å; K553-L567 CarbonylContact C-O 3.58Å; K553-L567 VanDerWaalsContact CA-O 3.28Å; K553-L567 WeakPolarHBondContact CA-O 3.32Å; L554-L567 HydrophobicContact CB-CB 4.09Å; L554-L567 HydrophobicContact CD1-CB 4.15Å; L554-L567 HydrophobicContact CD1-CD2 4.36Å; L554-L567 HydrophobicContact CG-CB 4.05Å; L554-L567 HydrophobicContact CG-CD2 4.47Å; L554-L567 PolarHBondContact N-O 2.99Å; L554-L567 PolarHBondContact O-N 2.9Å; L567-I579 HydrophobicContact CD2-CD1 3.56Å; L567-F584 HydrophobicContact CB-CD1 4.38Å; L567-F584 HydrophobicContact CB-CE1 3.83Å; L567-F584 HydrophobicContact CB-CZ 4.33Å; L567-F584 HydrophobicContact CD1-CE1 4.17Å; L567-F584 HydrophobicContact CD2-CE1 4.12Å; L567-F584 HydrophobicContact CD2-CZ 4Å; L567-F584 HydrophobicContact CG-CE1 4.26Å
568P97.4Very high95.5Very high11 Ų1131.7 Ų31.77%0.07118%0.176CC..  trans-75.4163.2167.933.2-34.8000110.7S348 E378 V565 R570S348-P568 WeakPolarHBondContact OG-CD 3.41Å; E378-P568 HydrophobicContact CG-CG 4.3Å; V565-P568 HydrophobicContact CG1-CB 4.39Å; P568-R570 PolarHBondContact O-N 2.81Å
569P97.4Very high95.2Very high36 Ų3631.7 Ų31.723%0.23418%0.175CC..  trans-58.5137.9171.2-21.232.1000111.7G550 K553 V605G550-P569 CarbonylContact O-C 3.51Å; G550-P569 WeakPolarHBondContact O-CA 3.09Å; K553-P569 HydrophobicContact CB-CG 4.1Å; P569-V605 HydrophobicContact CB-CG2 3.85Å; P569-V605 HydrophobicContact CG-CG1 4.04Å; P569-V605 HydrophobicContact CG-CG2 3.95Å
570R97.1Very high94.8Very high3 Ų334.1 Ų34.11%0.01119%0.185CC..  trans-122.283.3178.7-65.817472.2-135.620.1109R307 T308 D347 G550 P568 Q572 D573R307-R570 VanDerWaalsContact C-NH1 3.27Å; R307-R570 VanDerWaalsContact N-NH2 3.12Å; R307-R570 PolarHBondContact O-NH1 3.4Å; T308-R570 PolarHBondContact O-NH2 2.92Å; D347-R570 IonicContact OD1-CZ 3.38Å; D347-R570 VanDerWaalsContact OD1-CZ 3.22Å; D347-R570 IonicContact OD1-NE 3.51Å; D347-R570 PolarHBondContact OD1-NE 2.88Å; D347-R570 IonicContact OD1-NH2 3.64Å; D347-R570 PolarHBondContact OD1-NH2 3.42Å; D347-R570 IonicContact OD2-NH2 3.63Å; G550-R570 WeakPolarHBondContact CA-O 3.47Å; G550-R570 CarbonylContact O-C 3.47Å; G550-R570 PolarHBondContact O-N 2.85Å; P568-R570 PolarHBondContact O-N 2.81Å; R570-Q572 PolarHBondContact O-N 3.48Å; R570-D573 HydrophobicContact CB-CB 4.1Å; R570-D573 IonicContact NH1-OD2 2.75Å; R570-D573 PolarHBondContact NH1-OD2 3.19Å; R570-D573 WeakPolarHBondContact O-CB 3.48Å; R570-D573 PolarHBondContact O-N 3.2Å
571P96.2Very high94.4Very high42 Ų4233.5 Ų33.527%0.27318%0.184SC..THydrogen-bonded Turntrans-58.4-21.2-166.3-29.938.7000116.4K548K548-P571 WeakPolarHBondContact CE-O 3.41Å; K548-P571 PolarHBondContact NZ-O 3.22Å
572Q95.2Very high94.3Very high48 Ų4832.7 Ų32.722%0.22418%0.175CC..THydrogen-bonded Turntrans-83.2-14.2-179.3-627210.700112.2R307 R345 R570 F574R307-Q572 WeakPolarHBondContact CD-O 3.21Å; R307-Q572 HydrophobicContact CG-CB 3.97Å; R307-Q572 VanDerWaalsContact CG-O 3.29Å; R307-Q572 WeakPolarHBondContact CG-O 3.36Å; R307-Q572 PolarHBondContact NE-O 2.7Å; R345-Q572 PolarHBondContact O-OE1 2.77Å; R570-Q572 PolarHBondContact O-N 3.48Å; Q572-F574 WeakPolarHBondContact O-CD2 3.42Å; Q572-F574 WeakPolarHBondContact O-CE2 3.4Å; Q572-F574 PolarHBondContact O-N 3.14Å
573D96Very high94Very high3 Ų333.4 Ų33.42%0.01618%0.18CC..  trans-84.595.5180-175.2-3.9000110.9G306 K548 R549 G550 R570 N575G306-D573 WeakPolarHBondContact O-CB 3.41Å; G306-D573 PolarHBondContact O-N 3.16Å; K548-D573 WeakPolarHBondContact CG-O 3.28Å; R549-D573 WeakPolarHBondContact CG-OD2 3.31Å; R549-D573 IonicContact CZ-OD1 3.65Å; R549-D573 IonicContact CZ-OD2 3.11Å; R549-D573 VanDerWaalsContact NE-CG 3.34Å; R549-D573 IonicContact NE-OD1 3.29Å; R549-D573 PolarHBondContact NE-OD1 2.69Å; R549-D573 IonicContact NE-OD2 3.66Å; R549-D573 PolarHBondContact NE-OD2 2.73Å; R549-D573 IonicContact NH2-OD1 2.8Å; R549-D573 PolarHBondContact NH2-OD1 2.75Å; R549-D573 IonicContact NH2-OD2 3.63Å; R549-D573 PolarHBondContact NH2-OD2 3.22Å; G550-D573 WeakPolarHBondContact CA-O 3.48Å; G550-D573 PolarHBondContact N-O 3.33Å; R570-D573 HydrophobicContact CB-CB 4.1Å; R570-D573 IonicContact NH1-OD2 2.75Å; R570-D573 PolarHBondContact NH1-OD2 3.19Å; R570-D573 WeakPolarHBondContact O-CB 3.48Å; R570-D573 PolarHBondContact O-N 3.2Å; D573-N575 VanDerWaalsContact OD1-CB 3.3Å; D573-N575 WeakPolarHBondContact OD1-CB 3.21Å; D573-N575 PolarHBondContact OD1-N 2.59Å; D573-N575 VanDerWaalsContact OD1-N 3.16Å
574F94.1Very high94Very high140 Ų14032.1 Ų32.161%0.61417%0.171SC*.  trans-939178.4-62-86.5000113.6K548 Q572 S576K548-F574 HydrophobicContact CD-CD1 3.79Å; K548-F574 HydrophobicContact CD-CE1 3.99Å; K548-F574 HydrophobicContact CG-CD1 4.37Å; Q572-F574 WeakPolarHBondContact O-CD2 3.42Å; Q572-F574 WeakPolarHBondContact O-CE2 3.4Å; Q572-F574 PolarHBondContact O-N 3.14Å; F574-S576 PolarHBondContact O-N 3.38Å
575N91.7Very high94Very high40 Ų4032.1 Ų32.121%0.21417%0.171CC..  trans-62129.8-178.8-168.8-28.9000109.9D24 R549 D573 N577D24-N575 PolarHBondContact OD1-ND2 3.08Å; R549-N575 HydrophobicContact CB-CB 4.37Å; R549-N575 WeakPolarHBondContact CB-O 3.23Å; R549-N575 PolarHBondContact N-O 2.93Å; R549-N575 PolarHBondContact NH1-ND2 2.81Å; D573-N575 VanDerWaalsContact OD1-CB 3.3Å; D573-N575 WeakPolarHBondContact OD1-CB 3.21Å; D573-N575 PolarHBondContact OD1-N 2.59Å; D573-N575 VanDerWaalsContact OD1-N 3.16Å; N575-N577 VanDerWaalsContact OD1-CB 3.3Å; N575-N577 WeakPolarHBondContact OD1-CB 3.4Å; N575-N577 PolarHBondContact OD1-N 3.46Å
576S90.6Very high94Very high69 Ų6930.5 Ų30.548%0.48316%0.161SC..SBendtrans-99.4-6.6-17863.50000113.8F546 F574 G578F546-S576 WeakPolarHBondContact O-CA 3.42Å; F574-S576 PolarHBondContact O-N 3.38Å; S576-G578 VanDerWaalsContact C-N 3.26Å; S576-G578 PolarHBondContact O-N 3.29Å
577N86.8Confident94Very high77 Ų7730.6 Ų30.641%0.41216%0.162SC..SBendtrans-70.1-27.2175.3-66.8-15.6000111.5N575N575-N577 VanDerWaalsContact OD1-CB 3.3Å; N575-N577 WeakPolarHBondContact OD1-CB 3.4Å; N575-N577 PolarHBondContact OD1-N 3.46Å
578G86.6Confident94.1Very high1 Ų130.6 Ų30.61%0.0116%0.161CC..  trans84-148.9-179.600000112.4F544 R549 S576F544-G578 CarbonylContact O-C 3.07Å; F544-G578 VanDerWaalsContact O-CA 3.28Å; F544-G578 WeakPolarHBondContact O-CA 3.27Å; R549-G578 WeakPolarHBondContact CD-O 3.46Å; S576-G578 VanDerWaalsContact C-N 3.26Å; S576-G578 PolarHBondContact O-N 3.29Å
579I90.9Very high94.1Very high6 Ų630.2 Ų30.23%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-118.8129.1-178.7-63.9178.4000108.6F309 T543 F544 R549 L567 W582 F584F309-I579 HydrophobicContact CE1-CD1 4.13Å; F309-I579 HydrophobicContact CE2-CD1 4.32Å; F309-I579 HydrophobicContact CZ-CD1 3.72Å; F309-I579 HydrophobicContact CZ-CG1 4.41Å; T543-I579 CarbonylContact C-O 3.58Å; T543-I579 VanDerWaalsContact CA-O 3.3Å; T543-I579 WeakPolarHBondContact CA-O 3.4Å; F544-I579 HydrophobicContact CD1-CB 4.4Å; F544-I579 HydrophobicContact CD2-CB 3.9Å; F544-I579 HydrophobicContact CD2-CG1 4.19Å; F544-I579 HydrophobicContact CE1-CB 3.95Å; F544-I579 HydrophobicContact CE1-CD1 4.17Å; F544-I579 HydrophobicContact CE1-CG1 4.46Å; F544-I579 HydrophobicContact CE1-CG2 4.43Å; F544-I579 HydrophobicContact CE2-CB 3.36Å; F544-I579 HydrophobicContact CE2-CD1 3.3Å; F544-I579 HydrophobicContact CE2-CG1 3.28Å; F544-I579 HydrophobicContact CG-CB 4.42Å; F544-I579 HydrophobicContact CZ-CB 3.47Å; F544-I579 VanDerWaalsContact CZ-CB 3.47Å; F544-I579 HydrophobicContact CZ-CD1 3.1Å; F544-I579 HydrophobicContact CZ-CG1 3.52Å; F544-I579 HydrophobicContact CZ-CG2 4.23Å; F544-I579 PolarHBondContact N-O 3.45Å; F544-I579 PolarHBondContact O-N 3.29Å; R549-I579 HydrophobicContact CG-CD1 4.16Å; R549-I579 HydrophobicContact CG-CG1 3.86Å; L567-I579 HydrophobicContact CD2-CD1 3.56Å; I579-W582 HydrophobicContact CG2-CB 3.39Å; I579-W582 HydrophobicContact CG2-CG 4.45Å; I579-F584 HydrophobicContact CD1-CE2 4.34Å; I579-F584 HydrophobicContact CD1-CZ 3.7Å; I579-F584 HydrophobicContact CG2-CE2 4.07Å; I579-F584 HydrophobicContact CG2-CZ 4.23Å
580H89.5Confident94.2Very high72 Ų7228.5 Ų28.533%0.33315%0.148SC..EExtended strand (participates in β ladder)trans-119.2106.2179.7-168.675000111A20 E22 T543 W582A20-H580 PolarHBondContact O-CD2 3.02Å; A20-H580 VanDerWaalsContact O-CD2 3.31Å; E22-H580 HydrophobicContact CB-CB 4.09Å; E22-H580 WeakPolarHBondContact OE2-CB 3.39Å; T543-H580 WeakPolarHBondContact CG2-ND1 3.48Å; H580-W582 PolarHBondContact O-N 3.48Å; H580-W582 VanDerWaalsContact O-N 3.07Å
581K88.2Confident94.2Very high62 Ų6229.1 Ų29.127%0.2715%0.154SC..EExtended strand (participates in β ladder)trans49.635.1176.2-62.7-176.6176177.50114.6A20 L541 A542A20-K581 HydrophobicContact CB-CD 4.38Å; L541-K581 VanDerWaalsContact CD2-O 3.29Å; L541-K581 WeakPolarHBondContact CD2-O 3.33Å; A542-K581 PolarHBondContact O-N 3.2Å; A542-K581 VanDerWaalsContact O-N 3.12Å
582W92.5Very high94.3Very high3 Ų327.1 Ų27.11%0.01114%0.142CC..EExtended strand (participates in β ladder)trans-71.7131.2177.5-173-96.3000111.1I21 H23 F309 D310 S350 A351 I579 H580 F584I21-W582 HydrophobicContact CG2-CE3 3.56Å; I21-W582 HydrophobicContact CG2-CZ3 3.69Å; H23-W582 AromaticContact CD2-CZ3 3.86Å; F309-W582 HydrophobicContact CB-CE3 4.5Å; F309-W582 HydrophobicContact CB-CH2 4.46Å; F309-W582 HydrophobicContact CB-CZ3 4.26Å; F309-W582 AromaticContact CD1-CD2 3.54Å; F309-W582 HydrophobicContact CD1-CD2 3.54Å; F309-W582 AromaticContact CD1-CE2 3.57Å; F309-W582 AromaticContact CD1-CE3 3.89Å; F309-W582 HydrophobicContact CD1-CE3 3.89Å; F309-W582 AromaticContact CD1-CG 3.89Å; F309-W582 HydrophobicContact CD1-CG 3.89Å; F309-W582 HydrophobicContact CD1-CH2 4.3Å; F309-W582 AromaticContact CD1-CZ2 3.98Å; F309-W582 HydrophobicContact CD1-CZ2 3.98Å; F309-W582 HydrophobicContact CD1-CZ3 4.25Å; F309-W582 AromaticContact CD1-NE1 3.88Å; F309-W582 AromaticContact CE1-CD1 3.77Å; F309-W582 HydrophobicContact CE1-CD2 4.04Å; F309-W582 AromaticContact CE1-CE2 3.98Å; F309-W582 AromaticContact CE1-CG 3.92Å; F309-W582 HydrophobicContact CE1-CG 3.92Å; F309-W582 AromaticContact CE1-NE1 3.78Å; D310-W582 WeakPolarHBondContact O-CH2 3.39Å; S350-W582 PolarHBondContact O-NE1 3.29Å; A351-W582 WeakPolarHBondContact O-CZ2 3.47Å; I579-W582 HydrophobicContact CG2-CB 3.39Å; I579-W582 HydrophobicContact CG2-CG 4.45Å; H580-W582 PolarHBondContact O-N 3.48Å; H580-W582 VanDerWaalsContact O-N 3.07Å; W582-F584 HydrophobicContact CB-CE2 4.1Å; W582-F584 HydrophobicContact CB-CZ 4.3Å; W582-F584 AromaticContact CD1-CD1 3.83Å; W582-F584 AromaticContact CD1-CE1 3.58Å; W582-F584 AromaticContact CD1-CE2 3.93Å; W582-F584 AromaticContact CD1-CZ 3.62Å; W582-F584 HydrophobicContact CG-CE2 4.41Å; W582-F584 HydrophobicContact CG-CZ 4.25Å; W582-F584 PolarHBondContact O-N 2.74Å; W582-F584 VanDerWaalsContact O-N 3.09Å
583P93.6Very high94.3Very high18 Ų1825.1 Ų25.112%0.11713%0.133CC..EExtended strand (participates in β ladder)trans-83.476.6-175.334.4-36.6000112.7I21 L541 L585I21-P583 HydrophobicContact CD1-CG 4.02Å; L541-P583 HydrophobicContact CD2-CB 3.69Å; P583-L585 PolarHBondContact O-N 3.01Å
584F97.4Very high94.3Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-61122173.1-64.9-74.6000110.8F309 Q539 V540 L554 L566 L567 I579 W582F309-F584 HydrophobicContact CE1-CE1 4.07Å; F309-F584 HydrophobicContact CE1-CZ 4.04Å; F309-F584 HydrophobicContact CZ-CE1 4.39Å; F309-F584 HydrophobicContact CZ-CZ 4.36Å; Q539-F584 CarbonylContact C-O 3.44Å; Q539-F584 WeakPolarHBondContact CA-O 3.41Å; V540-F584 HydrophobicContact CB-CB 4.42Å; V540-F584 PolarHBondContact N-O 3.25Å; V540-F584 PolarHBondContact O-N 3.49Å; L554-F584 HydrophobicContact CD1-CD2 3.99Å; L554-F584 HydrophobicContact CD1-CE1 4.48Å; L554-F584 HydrophobicContact CD1-CE2 3.54Å; L554-F584 HydrophobicContact CD1-CZ 3.84Å; L566-F584 HydrophobicContact CB-CB 4.07Å; L566-F584 HydrophobicContact CB-CD1 4.4Å; L566-F584 HydrophobicContact CB-CG 4.28Å; L566-F584 HydrophobicContact CD1-CB 4.08Å; L566-F584 HydrophobicContact CD2-CB 4.33Å; L566-F584 HydrophobicContact CG-CB 4.4Å; L567-F584 HydrophobicContact CB-CD1 4.38Å; L567-F584 HydrophobicContact CB-CE1 3.83Å; L567-F584 HydrophobicContact CB-CZ 4.33Å; L567-F584 HydrophobicContact CD1-CE1 4.17Å; L567-F584 HydrophobicContact CD2-CE1 4.12Å; L567-F584 HydrophobicContact CD2-CZ 4Å; L567-F584 HydrophobicContact CG-CE1 4.26Å; I579-F584 HydrophobicContact CD1-CE2 4.34Å; I579-F584 HydrophobicContact CD1-CZ 3.7Å; I579-F584 HydrophobicContact CG2-CE2 4.07Å; I579-F584 HydrophobicContact CG2-CZ 4.23Å; W582-F584 HydrophobicContact CB-CE2 4.1Å; W582-F584 HydrophobicContact CB-CZ 4.3Å; W582-F584 AromaticContact CD1-CD1 3.83Å; W582-F584 AromaticContact CD1-CE1 3.58Å; W582-F584 AromaticContact CD1-CE2 3.93Å; W582-F584 AromaticContact CD1-CZ 3.62Å; W582-F584 HydrophobicContact CG-CE2 4.41Å; W582-F584 HydrophobicContact CG-CZ 4.25Å; W582-F584 PolarHBondContact O-N 2.74Å; W582-F584 VanDerWaalsContact O-N 3.09Å
585L98.4Very high94.3Very high3 Ų319.1 Ų19.12%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-103.4136.5-179.2174.962.9000111.6T356 V358 P380 S381 H537 Q539 P583 V587T356-L585 HydrophobicContact CG2-CB 4.34Å; T356-L585 WeakPolarHBondContact O-CB 3.41Å; T356-L585 WeakPolarHBondContact O-CD2 3.2Å; V358-L585 HydrophobicContact CG1-CD1 4Å; P380-L585 WeakPolarHBondContact CG-O 3.42Å; S381-L585 PolarHBondContact N-O 3.23Å; H537-L585 HydrophobicContact CB-CD1 3.8Å; Q539-L585 HydrophobicContact CG-CB 4.32Å; Q539-L585 HydrophobicContact CG-CD1 3.88Å; P583-L585 PolarHBondContact O-N 3.01Å; L585-V587 HydrophobicContact CD2-CG1 4.49Å
586S98.7Very high94.5Very high1 Ų117.7 Ų17.71%0.00710%0.1CC..EExtended strand (participates in β ladder)trans-123.3130.9162.4178.10000110.5P380 V538 S564 Q588P380-S586 WeakPolarHBondContact O-CA 3.34Å; V538-S586 PolarHBondContact N-O 2.88Å; V538-S586 PolarHBondContact O-N 3.48Å; S564-S586 PolarHBondContact OG-OG 3.04Å; S586-Q588 PolarHBondContact OG-N 3.02Å
587V98.7Very high94.8Very high4 Ų419.6 Ų19.62%0.02410%0.1CC..  trans-100.31.5167.4-64.40000112.1P380 I383 Y473 L585 T589 W590P380-V587 WeakPolarHBondContact O-CG2 3.24Å; P380-V587 PolarHBondContact O-N 3.1Å; I383-V587 HydrophobicContact CB-CG2 4.38Å; I383-V587 HydrophobicContact CG1-CG2 4.35Å; Y473-V587 HydrophobicContact CE2-CG2 4.47Å; Y473-V587 PolarHBondContact OH-O 2.95Å; L585-V587 HydrophobicContact CD2-CG1 4.49Å; V587-T589 VanDerWaalsContact C-N 3.31Å; V587-T589 PolarHBondContact O-N 2.66Å; V587-W590 HydrophobicContact CB-CE3 3.94Å; V587-W590 HydrophobicContact CB-CZ3 4.21Å; V587-W590 HydrophobicContact CG1-CE3 4.21Å; V587-W590 HydrophobicContact CG1-CZ3 3.99Å; V587-W590 WeakPolarHBondContact O-CB 3.49Å; V587-W590 PolarHBondContact O-N 3.15Å
588Q98.8Very high95.4Very high4 Ų416 Ų162%0.0198%0.08CC..THydrogen-bonded Turntrans-75.8-17.2-169.8-68.7-179.4-25.600114.6P380 N461 I467 N469 Y473 T562 S564 S586 W590P380-Q588 HydrophobicContact CB-CG 4.05Å; N461-Q588 VanDerWaalsContact CB-O 3.31Å; N461-Q588 WeakPolarHBondContact CB-O 3.4Å; N461-Q588 PolarHBondContact ND2-O 3.4Å; I467-Q588 HydrophobicContact CB-CB 4.39Å; I467-Q588 HydrophobicContact CB-CG 4.22Å; I467-Q588 HydrophobicContact CD1-CB 3.73Å; I467-Q588 HydrophobicContact CD1-CG 4.19Å; I467-Q588 HydrophobicContact CG2-CB 4.28Å; I467-Q588 HydrophobicContact CG2-CG 4.42Å; N469-Q588 PolarHBondContact OD1-NE2 3.27Å; Y473-Q588 PolarHBondContact OH-O 2.93Å; T562-Q588 HydrophobicContact CG2-CB 4.43Å; S564-Q588 PolarHBondContact OG-OE1 3.07Å; S586-Q588 PolarHBondContact OG-N 3.02Å; Q588-W590 VanDerWaalsContact C-N 3.31Å
589T98.4Very high95.9Very high2 Ų216.1 Ų16.11%0.0128%0.081CC..THydrogen-bonded Turntrans-93.613.2178.453.80000112.4L535 V538 T562 V587 G591 E592 W598L535-T589 WeakPolarHBondContact CB-O 3.33Å; V538-T589 VanDerWaalsContact CG2-OG1 3.24Å; V538-T589 WeakPolarHBondContact CG2-OG1 3.06Å; T562-T589 HydrophobicContact CG2-CG2 3.69Å; V587-T589 VanDerWaalsContact C-N 3.31Å; V587-T589 PolarHBondContact O-N 2.66Å; T589-G591 PolarHBondContact O-N 3.36Å; T589-E592 VanDerWaalsContact O-CB 3.26Å; T589-E592 WeakPolarHBondContact O-CB 3.26Å; T589-E592 WeakPolarHBondContact O-CG 3.22Å; T589-E592 PolarHBondContact O-N 2.71Å; T589-W598 HydrophobicContact CG2-CH2 4.11Å
590W98.4Very high96.3Very high1 Ų115.9 Ų15.90%0.0048%0.08CC..THydrogen-bonded Turntrans-54.6124.4-176.4-152.1-66.6000112.3I383 Q440 H441 L444 V463 Y473 L535 E536 H537 V587 Q588I383-W590 HydrophobicContact CD1-CZ3 4.47Å; Q440-W590 HydrophobicContact CB-CH2 3.5Å; Q440-W590 VanDerWaalsContact CB-CH2 3.5Å; Q440-W590 HydrophobicContact CB-CZ2 4.01Å; Q440-W590 HydrophobicContact CB-CZ3 4.31Å; Q440-W590 HydrophobicContact CG-CH2 4.31Å; H441-W590 AromaticContact CD2-CE2 3.96Å; H441-W590 AromaticContact CD2-CZ2 3.57Å; H441-W590 AromaticContact CD2-NE1 3.71Å; H441-W590 AromaticContact CE1-CD1 3.9Å; H441-W590 AromaticContact CE1-CE2 3.89Å; H441-W590 AromaticContact CE1-NE1 2.96Å; H441-W590 PolarHBondContact CE1-NE1 2.74Å; H441-W590 AromaticContact CG-CZ2 4Å; H441-W590 AromaticContact CG-NE1 3.56Å; H441-W590 AromaticContact ND1-CD1 3.95Å; H441-W590 AromaticContact ND1-NE1 3.08Å; H441-W590 PolarHBondContact ND1-NE1 3.01Å; H441-W590 AromaticContact NE2-CE2 3.83Å; H441-W590 AromaticContact NE2-CZ2 3.72Å; H441-W590 AromaticContact NE2-NE1 3.35Å; H441-W590 PolarHBondContact NE2-NE1 2.78Å; L444-W590 HydrophobicContact CD1-CB 4.33Å; L444-W590 HydrophobicContact CD1-CG 4.16Å; L444-W590 HydrophobicContact CD2-CB 4.16Å; L444-W590 HydrophobicContact CD2-CD2 3.16Å; L444-W590 VanDerWaalsContact CD2-CE2 3.45Å; L444-W590 HydrophobicContact CD2-CE3 3.41Å; L444-W590 VanDerWaalsContact CD2-CE3 3.41Å; L444-W590 HydrophobicContact CD2-CG 3.52Å; L444-W590 HydrophobicContact CD2-CH2 4.2Å; L444-W590 HydrophobicContact CD2-CZ2 3.98Å; L444-W590 HydrophobicContact CD2-CZ3 3.93Å; V463-W590 WeakPolarHBondContact CG2-O 3.43Å; Y473-W590 VanDerWaalsContact OH-CB 3.24Å; Y473-W590 WeakPolarHBondContact OH-CB 3.27Å; L535-W590 CarbonylContact O-C 3.54Å; L535-W590 WeakPolarHBondContact O-CA 3.47Å; E536-W590 HydrophobicContact CB-CD2 4.21Å; E536-W590 HydrophobicContact CB-CE3 4.47Å; E536-W590 HydrophobicContact CB-CH2 3.97Å; E536-W590 HydrophobicContact CB-CZ2 3.69Å; E536-W590 HydrophobicContact CB-CZ3 4.36Å; E536-W590 HydrophobicContact CG-CZ2 3.77Å; E536-W590 WeakPolarHBondContact O-CZ3 3.28Å; H537-W590 AromaticContact CE1-CH2 3.58Å; H537-W590 AromaticContact CE1-CZ3 3.87Å; H537-W590 AromaticContact NE2-CH2 3.73Å; H537-W590 AromaticContact NE2-CZ3 3.63Å; V587-W590 HydrophobicContact CB-CE3 3.94Å; V587-W590 HydrophobicContact CB-CZ3 4.21Å; V587-W590 HydrophobicContact CG1-CE3 4.21Å; V587-W590 HydrophobicContact CG1-CZ3 3.99Å; V587-W590 WeakPolarHBondContact O-CB 3.49Å; V587-W590 PolarHBondContact O-N 3.15Å; Q588-W590 VanDerWaalsContact C-N 3.31Å
591G97.6Very high96.7Very high15 Ų1512.6 Ų12.616%0.1557%0.065CC..THydrogen-bonded Turntrans87.7-11-178.100000115.3V463 L535 T589 H636V463-G591 VanDerWaalsContact CG1-C 3.5Å; V463-G591 WeakPolarHBondContact CG1-O 3.42Å; L535-G591 PolarHBondContact O-N 3.17Å; T589-G591 PolarHBondContact O-N 3.36Å; G591-H636 PolarHBondContact O-CE1 2.79Å; G591-H636 PolarHBondContact O-NE2 3.28Å
592E97.3Very high97.1Very high1 Ų19.8 Ų9.81%0.0055%0.053CC..  trans-66.7151.2-179.2-70.4177.7-155.900112.7N461 G462 V463 L535 S558 R560 T562 T589 P594N461-E592 WeakPolarHBondContact CB-OE1 3.11Å; G462-E592 PolarHBondContact N-OE1 3.1Å; V463-E592 HydrophobicContact CG1-CG 4.14Å; L535-E592 HydrophobicContact CD1-CB 4.2Å; L535-E592 WeakPolarHBondContact CG-O 3.08Å; L535-E592 PolarHBondContact N-O 2.8Å; S558-E592 VanDerWaalsContact CB-OE2 3.3Å; S558-E592 WeakPolarHBondContact CB-OE2 3.47Å; S558-E592 PolarHBondContact OG-OE2 2.89Å; R560-E592 HydrophobicContact CB-CG 4.45Å; R560-E592 HydrophobicContact CG-CB 4.25Å; R560-E592 HydrophobicContact CG-CG 4.35Å; T562-E592 VanDerWaalsContact CB-OE1 3.3Å; T562-E592 WeakPolarHBondContact CB-OE1 3.44Å; T562-E592 PolarHBondContact OG1-OE1 3.04Å; T562-E592 PolarHBondContact OG1-OE2 3.28Å; T589-E592 VanDerWaalsContact O-CB 3.26Å; T589-E592 WeakPolarHBondContact O-CB 3.26Å; T589-E592 WeakPolarHBondContact O-CG 3.22Å; T589-E592 PolarHBondContact O-N 2.71Å; E592-P594 WeakPolarHBondContact O-CD 3.32Å
593D95.5Very high97.3Very high6 Ų610.5 Ų10.53%0.0326%0.056CC..  trans-72.1116.1165.6-179.4-1.4000109.5L533 R560 R595 H636L533-D593 WeakPolarHBondContact O-CA 3.47Å; R560-D593 IonicContact NH1-OD2 3.27Å; R560-D593 PolarHBondContact NH1-OD2 2.83Å; D593-R595 PolarHBondContact O-N 3.25Å; D593-R595 VanDerWaalsContact OD1-CB 3.32Å; D593-R595 WeakPolarHBondContact OD1-CB 3.37Å; D593-R595 VanDerWaalsContact OD1-CG 3.3Å; D593-R595 WeakPolarHBondContact OD1-CG 3.32Å; D593-R595 IonicContact OD1-CZ 2.84Å; D593-R595 PolarHBondContact OD1-N 3.25Å; D593-R595 IonicContact OD1-NE 3.71Å; D593-R595 PolarHBondContact OD1-NE 3.11Å; D593-R595 IonicContact OD1-NH2 2.87Å; D593-R595 IonicContact OD2-CZ 2.93Å; D593-R595 IonicContact OD2-NE 3.4Å; D593-R595 PolarHBondContact OD2-NE 3.45Å; D593-R595 IonicContact OD2-NH2 3.26Å; D593-R595 PolarHBondContact OD2-NH2 3.47Å; D593-H636 HydrophobicContact CB-CB 4.36Å; D593-H636 PolarHBondContact N-NE2 3.11Å
594P95.7Very high97.5Very high0 Ų09.8 Ų9.80%05%0.052CC..  trans-74.1-7.3-17729.2-33.8000114V523 V532 L533 L535 E592 W598 L622V523-P594 HydrophobicContact CG1-CB 4.35Å; V523-P594 VanDerWaalsContact CG1-O 3.23Å; V523-P594 WeakPolarHBondContact CG1-O 3.49Å; V532-P594 HydrophobicContact CG1-CG 4.37Å; V532-P594 WeakPolarHBondContact O-CG 3.33Å; L533-P594 VanDerWaalsContact O-CD 3.31Å; L533-P594 WeakPolarHBondContact O-CD 3.06Å; L535-P594 HydrophobicContact CD1-CB 4.05Å; L535-P594 HydrophobicContact CD2-CB 3.97Å; L535-P594 HydrophobicContact CD2-CG 4.37Å; L535-P594 HydrophobicContact CG-CB 4.03Å; L535-P594 HydrophobicContact CG-CG 4.39Å; E592-P594 WeakPolarHBondContact O-CD 3.32Å; P594-W598 HydrophobicContact CB-CZ2 4.42Å; P594-W598 PolarHBondContact O-NE1 3.48Å; P594-L622 HydrophobicContact CB-CD1 3.77Å
595R95.3Very high97.4Very high16 Ų1613.2 Ų13.26%0.067%0.072CC..  trans-76.5131.3-171.8-62.4173.5-64.11654.3112.6V523 P559 R560 D593 S637 S638 V640V523-R595 CarbonylContact O-C 3.52Å; V523-R595 WeakPolarHBondContact O-CA 3.4Å; P559-R595 WeakPolarHBondContact CB-O 3.44Å; R560-R595 PolarHBondContact NH1-O 2.82Å; R560-R595 PolarHBondContact NH2-O 3.29Å; D593-R595 PolarHBondContact O-N 3.25Å; D593-R595 VanDerWaalsContact OD1-CB 3.32Å; D593-R595 WeakPolarHBondContact OD1-CB 3.37Å; D593-R595 VanDerWaalsContact OD1-CG 3.3Å; D593-R595 WeakPolarHBondContact OD1-CG 3.32Å; D593-R595 IonicContact OD1-CZ 2.84Å; D593-R595 PolarHBondContact OD1-N 3.25Å; D593-R595 IonicContact OD1-NE 3.71Å; D593-R595 PolarHBondContact OD1-NE 3.11Å; D593-R595 IonicContact OD1-NH2 2.87Å; D593-R595 IonicContact OD2-CZ 2.93Å; D593-R595 IonicContact OD2-NE 3.4Å; D593-R595 PolarHBondContact OD2-NE 3.45Å; D593-R595 IonicContact OD2-NH2 3.26Å; D593-R595 PolarHBondContact OD2-NH2 3.47Å; R595-S637 PolarHBondContact NH1-O 2.99Å; R595-S637 PolarHBondContact NH2-O 2.61Å; R595-S638 PolarHBondContact NH1-O 2.94Å; R595-V640 HydrophobicContact CB-CG1 4.45Å
596G95.7Very high97.2Very high10 Ų1013.4 Ų13.410%0.1037%0.074CC..EExtended strand (participates in β ladder)trans122.2-16018000000112.3V523 W598V523-G596 PolarHBondContact N-O 3.27Å; V523-G596 PolarHBondContact O-N 2.85Å; G596-W598 PolarHBondContact O-N 3.44Å
597K97.7Very high97Very high109 Ų10920.2 Ų20.247%0.47412%0.116SC..EExtended strand (participates in β ladder)trans-80114.9-173.8-170.9174.8179.2177.30112.7S520 L521 E522S520-K597 WeakPolarHBondContact OG-CE 3.24Å; L521-K597 WeakPolarHBondContact O-CA 3.31Å; E522-K597 WeakPolarHBondContact OE1-CB 3.36Å; E522-K597 WeakPolarHBondContact OE1-CG 3.08Å; E522-K597 PolarHBondContact OE2-N 3.19Å
598W98.3Very high96.7Very high1 Ų123.9 Ų23.90%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-90.7143.6164.2-73.176.7000109.9S520 L521 V523 L535 V538 L556 F557 P559 T589 P594 G596 L620 L622S520-W598 CarbonylContact C-O 3.57Å; S520-W598 WeakPolarHBondContact CA-O 3.22Å; S520-W598 WeakPolarHBondContact CB-O 3.24Å; L521-W598 PolarHBondContact N-O 3.28Å; L521-W598 PolarHBondContact O-N 3.03Å; V523-W598 HydrophobicContact CG2-CG 4.18Å; L535-W598 HydrophobicContact CD1-CH2 3.97Å; L535-W598 HydrophobicContact CD1-CZ2 3.8Å; V538-W598 HydrophobicContact CG1-CH2 4.22Å; V538-W598 HydrophobicContact CG1-CZ3 4.07Å; V538-W598 HydrophobicContact CG2-CH2 3.95Å; L556-W598 HydrophobicContact CD1-CE3 3.86Å; L556-W598 HydrophobicContact CD1-CZ3 4.45Å; L556-W598 HydrophobicContact CD2-CE3 3.84Å; L556-W598 HydrophobicContact CD2-CZ3 3.58Å; L556-W598 HydrophobicContact CG-CE3 3.78Å; L556-W598 HydrophobicContact CG-CZ3 3.89Å; F557-W598 WeakPolarHBondContact O-CA 3.13Å; P559-W598 VanDerWaalsContact CD-NE1 3.28Å; P559-W598 HydrophobicContact CG-CD2 4.45Å; P559-W598 HydrophobicContact CG-CG 4.2Å; T589-W598 HydrophobicContact CG2-CH2 4.11Å; P594-W598 HydrophobicContact CB-CZ2 4.42Å; P594-W598 PolarHBondContact O-NE1 3.48Å; G596-W598 PolarHBondContact O-N 3.44Å; W598-L620 HydrophobicContact CB-CD2 3.95Å; W598-L620 HydrophobicContact CD2-CD1 4.45Å; W598-L620 HydrophobicContact CD2-CD2 3.75Å; W598-L620 HydrophobicContact CE3-CD1 4.23Å; W598-L620 HydrophobicContact CE3-CD2 4.33Å; W598-L620 HydrophobicContact CG-CD2 3.56Å; W598-L622 HydrophobicContact CH2-CD2 4.42Å; W598-L622 HydrophobicContact CZ2-CD2 4.09Å
599T98.4Very high96.3Very high5 Ų534.1 Ų34.13%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-133.1119.1176.2-59.30000110.6N518 S520 F557 F650N518-T599 HydrophobicContact CB-CG2 3.73Å; S520-T599 PolarHBondContact OG-OG1 3.15Å; F557-T599 PolarHBondContact N-O 3.27Å; F557-T599 PolarHBondContact O-N 3.21Å; F557-T599 VanDerWaalsContact O-N 3.1Å; T599-F650 HydrophobicContact CG2-CE2 3.82Å; T599-F650 HydrophobicContact CG2-CZ 4.07Å
600L98.3Very high96Very high0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-88.3112.6165.2178.863.5000108.3F519 V540 A542 L554 L556 L566 V602 W618F519-L600 PolarHBondContact N-O 3.01Å; F519-L600 PolarHBondContact O-N 2.83Å; V540-L600 HydrophobicContact CG1-CD1 4.28Å; V540-L600 HydrophobicContact CG1-CD2 4.04Å; A542-L600 HydrophobicContact CB-CD2 4.43Å; L554-L600 HydrophobicContact CB-CD1 4.47Å; L556-L600 HydrophobicContact CD1-CB 4.49Å; L566-L600 HydrophobicContact CD1-CD1 4.23Å; L600-V602 HydrophobicContact CD2-CG2 4.34Å; L600-V602 HydrophobicContact CG-CG2 4.16Å; L600-W618 HydrophobicContact CB-CD2 4.02Å; L600-W618 HydrophobicContact CB-CE3 4.23Å; L600-W618 HydrophobicContact CB-CH2 4.09Å; L600-W618 HydrophobicContact CB-CZ2 3.91Å; L600-W618 HydrophobicContact CB-CZ3 4.24Å; L600-W618 HydrophobicContact CD2-CB 3.79Å; L600-W618 HydrophobicContact CD2-CD2 3.67Å; L600-W618 HydrophobicContact CD2-CE3 4.01Å; L600-W618 HydrophobicContact CD2-CG 3.6Å
601M98.1Very high95.7Very high4 Ų441.7 Ų41.72%0.0222%0.215CC..EExtended strand (participates in β ladder)trans-93.9123.6172.6-176.1167.678.700109.2Q516 M517 N518 L554 T555 F557 E603Q516-M601 HydrophobicContact CG-CG 4.02Å; Q516-M601 HydrophobicContact CG-SD 3.99Å; Q516-M601 PolarHBondContact NE2-SD 3.24Å; M517-M601 WeakPolarHBondContact O-CA 3.49Å; N518-M601 WeakPolarHBondContact OD1-CB 3.31Å; N518-M601 VanDerWaalsContact OD1-CG 3.25Å; N518-M601 WeakPolarHBondContact OD1-CG 3.18Å; L554-M601 WeakPolarHBondContact CA-O 3.36Å; T555-M601 PolarHBondContact N-O 3.4Å; T555-M601 PolarHBondContact O-N 3.38Å; F557-M601 HydrophobicContact CD2-CB 4.36Å; F557-M601 HydrophobicContact CE2-CB 3.77Å; F557-M601 HydrophobicContact CE2-CE 3.83Å; F557-M601 HydrophobicContact CE2-SD 4.03Å; F557-M601 HydrophobicContact CZ-CE 3.87Å; F557-M601 HydrophobicContact CZ-SD 4.43Å; M601-E603 HydrophobicContact CE-CG 4.29Å; M601-E603 WeakPolarHBondContact CE-OE2 3.38Å; M601-E603 HydrophobicContact CG-CG 4Å
602V96.7Very high95.5Very high2 Ų242.6 Ų42.61%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-111.8122.4176.9-174.50000108F515 Q516 M517 F519 L552 L554 L600 F615F515-V602 HydrophobicContact CE2-CB 4.43Å; F515-V602 HydrophobicContact CE2-CG1 3.93Å; F515-V602 HydrophobicContact CZ-CG1 4.22Å; Q516-V602 WeakPolarHBondContact CA-O 3.23Å; M517-V602 PolarHBondContact N-O 3.33Å; M517-V602 PolarHBondContact O-N 2.75Å; F519-V602 HydrophobicContact CD2-CG2 3.8Å; F519-V602 HydrophobicContact CE2-CB 4.08Å; F519-V602 HydrophobicContact CE2-CG2 3.73Å; L552-V602 HydrophobicContact CD2-CG1 4.5Å; L554-V602 HydrophobicContact CD2-CB 4.25Å; L554-V602 HydrophobicContact CD2-CG1 3.89Å; L554-V602 HydrophobicContact CD2-CG2 3.92Å; L600-V602 HydrophobicContact CD2-CG2 4.34Å; L600-V602 HydrophobicContact CG-CG2 4.16Å; V602-F615 HydrophobicContact CG2-CD2 4.48Å; V602-F615 HydrophobicContact CG2-CE2 4.35Å
603E96.9Very high95.3Very high18 Ų1843.4 Ų43.48%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-123.7149.8-177.7-62.7168.99100110.2F515 Q516 L552 K553 M601F515-E603 CarbonylContact O-C 3.4Å; F515-E603 VanDerWaalsContact O-CA 3.29Å; F515-E603 WeakPolarHBondContact O-CA 3.37Å; Q516-E603 HydrophobicContact CB-CG 4.11Å; Q516-E603 HydrophobicContact CG-CG 3.85Å; L552-E603 CarbonylContact C-O 3.59Å; L552-E603 WeakPolarHBondContact CA-O 3.44Å; K553-E603 HydrophobicContact CB-CB 4.2Å; K553-E603 WeakPolarHBondContact CD-OE2 3.43Å; K553-E603 WeakPolarHBondContact CE-OE2 3.35Å; K553-E603 PolarHBondContact N-O 3.06Å; K553-E603 IonicContact NZ-OE1 3.64Å; K553-E603 PolarHBondContact NZ-OE1 2.81Å; K553-E603 IonicContact NZ-OE2 2.78Å; K553-E603 PolarHBondContact NZ-OE2 3.33Å; K553-E603 PolarHBondContact O-N 2.84Å; M601-E603 HydrophobicContact CE-CG 4.29Å; M601-E603 WeakPolarHBondContact CE-OE2 3.38Å; M601-E603 HydrophobicContact CG-CG 4Å
604S96.9Very high95.3Very high3 Ų344.9 Ų44.92%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-120.9128.8163.5-177.70000111.2G513 N514 F515 F546 D551 S606G513-S604 VanDerWaalsContact O-CB 3.3Å; G513-S604 WeakPolarHBondContact O-CB 3.16Å; G513-S604 PolarHBondContact O-OG 2.65Å; N514-S604 PolarHBondContact ND2-O 3.01Å; F515-S604 PolarHBondContact O-N 3.2Å; F546-S604 WeakPolarHBondContact CE1-OG 3.23Å; F546-S604 WeakPolarHBondContact CZ-OG 3.17Å; D551-S604 CarbonylContact O-C 3.57Å; D551-S604 VanDerWaalsContact O-CA 3.3Å; D551-S604 WeakPolarHBondContact O-CA 3.49Å; S604-S606 VanDerWaalsContact C-N 3.27Å; S604-S606 WeakPolarHBondContact OG-CB 3.42Å; S604-S606 PolarHBondContact OG-N 3.5Å
605V95.8Very high95.3Very high72 Ų7244.9 Ų44.944%0.43624%0.242SC..  trans-89.410.5173.7-59.80000112.8D551 P569D551-V605 HydrophobicContact CB-CG2 4.48Å; D551-V605 WeakPolarHBondContact O-CG2 3.45Å; D551-V605 PolarHBondContact O-N 2.83Å; P569-V605 HydrophobicContact CB-CG2 3.85Å; P569-V605 HydrophobicContact CG-CG1 4.04Å; P569-V605 HydrophobicContact CG-CG2 3.95Å
606S94.8Very high95.2Very high8 Ų846.6 Ų46.66%0.05625%0.251CS..  trans-62.6138-174.4-1580000112.7D551 S604 N608 V611D551-S606 WeakPolarHBondContact OD2-CA 3.33Å; D551-S606 WeakPolarHBondContact OD2-CB 3.4Å; D551-S606 PolarHBondContact OD2-OG 3.37Å; S604-S606 VanDerWaalsContact C-N 3.27Å; S604-S606 WeakPolarHBondContact OG-CB 3.42Å; S604-S606 PolarHBondContact OG-N 3.5Å; S606-N608 PolarHBondContact OG-N 2.9Å; S606-V611 WeakPolarHBondContact OG-CG1 3.28Å
607T93.4Very high95.1Very high143 Ų14349 Ų4988%0.87726%0.261SS*.SBendtrans-86.6-16.7170.355.60000112.1R609T607-R609 PolarHBondContact O-N 3.2Å
608N93.2Very high95Very high82 Ų8243.8 Ų43.844%0.43924%0.239SC..  trans-82.7103.5178.7-178.6-1000110.4S606 N610 V611S606-N608 PolarHBondContact OG-N 2.9Å; N608-N610 PolarHBondContact O-N 3.23Å; N608-N610 VanDerWaalsContact O-N 3.12Å; N608-N610 WeakPolarHBondContact OD1-CB 3.46Å; N608-N610 PolarHBondContact OD1-N 2.89Å; N608-V611 HydrophobicContact CB-CB 4.27Å; N608-V611 VanDerWaalsContact O-CG1 3.28Å; N608-V611 WeakPolarHBondContact O-CG1 3.47Å; N608-V611 PolarHBondContact O-N 2.81Å
609R90.7Very high94.9Very high218 Ų21844.4 Ų44.482%0.82324%0.243SC*.THydrogen-bonded Turntrans-62.7-19.7179.8-64.3-176.4-179-177.80.1114.4T607T607-R609 PolarHBondContact O-N 3.2Å
610N92.2Very high94.9Very high148 Ų14844.1 Ų44.179%0.79124%0.241SC*.THydrogen-bonded Turntrans-95-6.2-177.4-60.1-25.4000112.7N608 G612N608-N610 PolarHBondContact O-N 3.23Å; N608-N610 VanDerWaalsContact O-N 3.12Å; N608-N610 WeakPolarHBondContact OD1-CB 3.46Å; N608-N610 PolarHBondContact OD1-N 2.89Å; N610-G612 PolarHBondContact O-N 3.29Å
611V92.2Very high94.8Very high14 Ų1444.6 Ų44.69%0.08524%0.244CC..  trans-66.3121.4174.978.60000108.2T512 G513 F546 S606 N608T512-V611 CarbonylContact C-O 3.57Å; T512-V611 WeakPolarHBondContact CA-O 3.37Å; G513-V611 PolarHBondContact N-O 2.94Å; F546-V611 HydrophobicContact CE1-CG1 3.89Å; F546-V611 HydrophobicContact CE1-CG2 4.44Å; F546-V611 HydrophobicContact CE2-CG1 4.33Å; F546-V611 HydrophobicContact CZ-CG1 3.57Å; S606-V611 WeakPolarHBondContact OG-CG1 3.28Å; N608-V611 HydrophobicContact CB-CB 4.27Å; N608-V611 VanDerWaalsContact O-CG1 3.28Å; N608-V611 WeakPolarHBondContact O-CG1 3.47Å; N608-V611 PolarHBondContact O-N 2.81Å
612G91.9Very high94.7Very high35 Ų3544.4 Ų44.436%0.36124%0.243SC..EExtended strand (participates in β ladder)trans-113165.7-177.800000111.9I511 G547 N610I511-G612 CarbonylContact O-C 3.55Å; G547-G612 PolarHBondContact N-O 3.36Å; N610-G612 PolarHBondContact O-N 3.29Å
613G94.6Very high94.8Very high18 Ų1845 Ų4519%0.18625%0.245CC..EExtended strand (participates in β ladder)trans-175.1-171.6173.700000112.1I511 R545I511-G613 WeakPolarHBondContact CG1-O 3.5Å; I511-G613 PolarHBondContact N-O 2.78Å; I511-G613 PolarHBondContact O-N 3.25Å; R545-G613 CarbonylContact O-C 3.59Å; R545-G613 WeakPolarHBondContact O-CA 3.46Å
614T95.1Very high94.8Very high36 Ų3644.2 Ų44.222%0.22124%0.241CC..EExtended strand (participates in β ladder)trans-142.2130.8-176.648.80000110.6P508 R509 F544 R545 H616P508-T614 HydrophobicContact CB-CG2 4.37Å; P508-T614 HydrophobicContact CG-CG2 3.95Å; R509-T614 CarbonylContact O-C 3.55Å; R509-T614 WeakPolarHBondContact O-CA 3.16Å; F544-T614 CarbonylContact C-O 3.57Å; F544-T614 VanDerWaalsContact CA-O 3.26Å; F544-T614 WeakPolarHBondContact CA-O 3.46Å; R545-T614 PolarHBondContact N-O 3.29Å; R545-T614 PolarHBondContact O-N 2.87Å; T614-H616 PolarHBondContact O-CD2 2.84Å; T614-H616 PolarHBondContact OG1-NE2 2.8Å
615F94.8Very high94.8Very high1 Ų144.1 Ų44.10%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-90124.8166.8175.7-95.5000109.2Y501 L503 P508 R509 F519 V602 W618Y501-F615 HydrophobicContact CD1-CE1 4.33Å; Y501-F615 HydrophobicContact CE1-CE1 4.27Å; L503-F615 HydrophobicContact CD1-CD1 4.21Å; L503-F615 HydrophobicContact CD1-CE1 4.34Å; L503-F615 HydrophobicContact CD2-CD1 4.18Å; L503-F615 WeakPolarHBondContact CD2-O 3.32Å; P508-F615 CarbonylContact C-O 3.55Å; P508-F615 WeakPolarHBondContact CA-O 3.23Å; P508-F615 WeakPolarHBondContact CB-O 3.48Å; R509-F615 HydrophobicContact CB-CB 4.31Å; R509-F615 PolarHBondContact N-O 3.07Å; R509-F615 PolarHBondContact O-N 2.96Å; F519-F615 HydrophobicContact CB-CZ 4.48Å; F519-F615 AromaticContact CD1-CD1 3.98Å; F519-F615 HydrophobicContact CD1-CD1 3.98Å; F519-F615 AromaticContact CD1-CE1 3.54Å; F519-F615 HydrophobicContact CD1-CE1 3.54Å; F519-F615 HydrophobicContact CD1-CZ 4.11Å; F519-F615 HydrophobicContact CD2-CD1 4.45Å; F519-F615 HydrophobicContact CD2-CE1 4.06Å; F519-F615 HydrophobicContact CD2-CE2 4.12Å; F519-F615 AromaticContact CD2-CZ 3.87Å; F519-F615 HydrophobicContact CD2-CZ 3.87Å; F519-F615 AromaticContact CE1-CD1 3.42Å; F519-F615 HydrophobicContact CE1-CD1 3.42Å; F519-F615 VanDerWaalsContact CE1-CD1 3.42Å; F519-F615 AromaticContact CE1-CE1 3.51Å; F519-F615 HydrophobicContact CE1-CE1 3.51Å; F519-F615 HydrophobicContact CE1-CG 4.14Å; F519-F615 HydrophobicContact CE1-CZ 4.3Å; F519-F615 AromaticContact CE2-CD1 3.96Å; F519-F615 HydrophobicContact CE2-CD1 3.96Å; F519-F615 AromaticContact CE2-CD2 3.99Å; F519-F615 HydrophobicContact CE2-CD2 3.99Å; F519-F615 HydrophobicContact CE2-CE1 4.03Å; F519-F615 HydrophobicContact CE2-CE2 4.06Å; F519-F615 AromaticContact CE2-CG 3.93Å; F519-F615 HydrophobicContact CE2-CG 3.93Å; F519-F615 HydrophobicContact CE2-CZ 4.07Å; F519-F615 HydrophobicContact CG-CD1 4.46Å; F519-F615 AromaticContact CG-CE1 3.82Å; F519-F615 HydrophobicContact CG-CE1 3.82Å; F519-F615 AromaticContact CG-CZ 3.88Å; F519-F615 HydrophobicContact CG-CZ 3.88Å; F519-F615 HydrophobicContact CZ-CB 4.16Å; F519-F615 AromaticContact CZ-CD1 3.4Å; F519-F615 HydrophobicContact CZ-CD1 3.4Å; F519-F615 VanDerWaalsContact CZ-CD1 3.4Å; F519-F615 HydrophobicContact CZ-CD2 4.18Å; F519-F615 AromaticContact CZ-CE1 3.76Å; F519-F615 HydrophobicContact CZ-CE1 3.76Å; F519-F615 HydrophobicContact CZ-CE2 4.48Å; F519-F615 AromaticContact CZ-CG 3.63Å; F519-F615 HydrophobicContact CZ-CG 3.63Å; F519-F615 HydrophobicContact CZ-CZ 4.28Å; V602-F615 HydrophobicContact CG2-CD2 4.48Å; V602-F615 HydrophobicContact CG2-CE2 4.35Å; F615-W618 HydrophobicContact CZ-CB 4.24Å; F615-W618 AromaticContact CZ-CD1 3.74Å; F615-W618 HydrophobicContact CZ-CG 4.31Å
616H93.3Very high94.8Very high52 Ų5242 Ų4224%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-100-59-174.4-67.6-102.2000111.6L503 P508 T543 T614L503-H616 VanDerWaalsContact CD2-O 3.31Å; L503-H616 WeakPolarHBondContact CD2-O 3.25Å; P508-H616 HydrophobicContact CB-CB 4.49Å; T543-H616 HydrophobicContact CG2-CB 3.97Å; T543-H616 WeakPolarHBondContact O-CB 3.42Å; T543-H616 PolarHBondContact O-N 2.76Å; T614-H616 PolarHBondContact O-CD2 2.84Å; T614-H616 PolarHBondContact OG1-NE2 2.8Å
617D93.5Very high94.8Very high59 Ų5947.5 Ų47.532%0.31626%0.255SS..EExtended strand (participates in β ladder)trans-160.8168.5-174.955.752.4000111.6T543T543-D617 WeakPolarHBondContact CB-OD1 3.37Å; T543-D617 PolarHBondContact N-O 3.44Å; T543-D617 PolarHBondContact OG1-OD1 2.88Å
618W95.8Very high95Very high1 Ų141.4 Ų41.40%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-149.2155.6158.975-68.7000111.1Y501 F519 L521 V540 L541 A542 L556 L600 F615 L620Y501-W618 WeakPolarHBondContact CB-O 3.4Å; Y501-W618 AromaticContact CD1-CD1 3.71Å; Y501-W618 AromaticContact CD1-NE1 3.85Å; Y501-W618 AromaticContact CD2-NE1 3.36Å; Y501-W618 AromaticContact CG-CD1 3.4Å; Y501-W618 AromaticContact CG-NE1 3.18Å; Y501-W618 PolarHBondContact N-O 2.69Å; F519-W618 WeakPolarHBondContact O-CZ2 3.45Å; L521-W618 HydrophobicContact CB-CH2 4.39Å; L521-W618 HydrophobicContact CB-CZ2 4.13Å; L521-W618 HydrophobicContact CD1-CD2 4.47Å; L521-W618 HydrophobicContact CD1-CH2 3.62Å; L521-W618 HydrophobicContact CD1-CZ2 3.47Å; L521-W618 VanDerWaalsContact CD1-CZ2 3.47Å; L521-W618 HydrophobicContact CD1-CZ3 4.16Å; L521-W618 HydrophobicContact CG-CH2 4.13Å; L521-W618 HydrophobicContact CG-CZ2 3.61Å; V540-W618 HydrophobicContact CG1-CE3 3.91Å; V540-W618 HydrophobicContact CG2-CE3 4.17Å; V540-W618 HydrophobicContact CG2-CZ3 3.99Å; L541-W618 CarbonylContact O-C 3.56Å; L541-W618 WeakPolarHBondContact O-CA 3.46Å; A542-W618 HydrophobicContact CB-CB 4.06Å; L556-W618 HydrophobicContact CD1-CH2 4.29Å; L556-W618 HydrophobicContact CD1-CZ3 4.21Å; L600-W618 HydrophobicContact CB-CD2 4.02Å; L600-W618 HydrophobicContact CB-CE3 4.23Å; L600-W618 HydrophobicContact CB-CH2 4.09Å; L600-W618 HydrophobicContact CB-CZ2 3.91Å; L600-W618 HydrophobicContact CB-CZ3 4.24Å; L600-W618 HydrophobicContact CD2-CB 3.79Å; L600-W618 HydrophobicContact CD2-CD2 3.67Å; L600-W618 HydrophobicContact CD2-CE3 4.01Å; L600-W618 HydrophobicContact CD2-CG 3.6Å; F615-W618 HydrophobicContact CZ-CB 4.24Å; F615-W618 AromaticContact CZ-CD1 3.74Å; F615-W618 HydrophobicContact CZ-CG 4.31Å; W618-L620 HydrophobicContact CE3-CB 4.3Å; W618-L620 HydrophobicContact CH2-CB 4.12Å; W618-L620 HydrophobicContact CZ3-CB 3.61Å; W618-L620 HydrophobicContact CZ3-CD1 3.98Å; W618-L620 HydrophobicContact CZ3-CG 4.26Å
619S96.5Very high95.1Very high13 Ų1337.9 Ų37.99%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-126.7138.4174.1-50.90000109.7Y499 D500 V540 L541Y499-S619 CarbonylContact O-C 3.57Å; Y499-S619 VanDerWaalsContact O-CA 3.29Å; Y499-S619 WeakPolarHBondContact O-CA 2.8Å; D500-S619 VanDerWaalsContact OD1-CB 3.27Å; D500-S619 WeakPolarHBondContact OD1-CB 3.28Å; D500-S619 PolarHBondContact OD1-OG 3.05Å; V540-S619 WeakPolarHBondContact CA-O 3.41Å; L541-S619 PolarHBondContact N-O 2.94Å; L541-S619 PolarHBondContact O-N 3.04Å
620L97.4Very high95.4Very high0 Ų028.8 Ų28.80%017%0.167CC..EExtended strand (participates in β ladder)trans-102119.4174.4-177.367.2000109.1T498 Y499 L521 V523 V538 V540 L556 W598 W618 L622T498-L620 CarbonylContact C-O 3.54Å; T498-L620 WeakPolarHBondContact CA-O 3.43Å; Y499-L620 PolarHBondContact N-O 2.91Å; Y499-L620 PolarHBondContact O-N 3.4Å; L521-L620 HydrophobicContact CD1-CB 3.97Å; V523-L620 HydrophobicContact CG2-CD2 3.8Å; V538-L620 HydrophobicContact CG1-CD1 3.6Å; V540-L620 HydrophobicContact CG2-CD1 4.14Å; L556-L620 HydrophobicContact CD2-CD1 4.29Å; W598-L620 HydrophobicContact CB-CD2 3.95Å; W598-L620 HydrophobicContact CD2-CD1 4.45Å; W598-L620 HydrophobicContact CD2-CD2 3.75Å; W598-L620 HydrophobicContact CE3-CD1 4.23Å; W598-L620 HydrophobicContact CE3-CD2 4.33Å; W598-L620 HydrophobicContact CG-CD2 3.56Å; W618-L620 HydrophobicContact CE3-CB 4.3Å; W618-L620 HydrophobicContact CH2-CB 4.12Å; W618-L620 HydrophobicContact CZ3-CB 3.61Å; W618-L620 HydrophobicContact CZ3-CD1 3.98Å; W618-L620 HydrophobicContact CZ3-CG 4.26Å; L620-L622 HydrophobicContact CD1-CD2 3.83Å; L620-L622 HydrophobicContact CD2-CD1 4.24Å; L620-L622 HydrophobicContact CD2-CD2 3.91Å; L620-L622 HydrophobicContact CD2-CG 4.19Å; L620-L622 HydrophobicContact CG-CD2 3.67Å; L620-L622 HydrophobicContact CG-CG 4.01Å
621L96.9Very high95.5Very high10 Ų1026 Ų265%0.05216%0.157CC..EExtended strand (participates in β ladder)trans-109.8118.7175.8-7870.1000108.3T498 V538 Q539 L541 Y623T498-L621 HydrophobicContact CG2-CD1 4.04Å; T498-L621 HydrophobicContact CG2-CG 4.25Å; V538-L621 WeakPolarHBondContact CA-O 3.2Å; Q539-L621 HydrophobicContact CB-CB 4.05Å; Q539-L621 PolarHBondContact N-O 2.92Å; Q539-L621 PolarHBondContact O-N 2.85Å; L541-L621 HydrophobicContact CD1-CD1 3.68Å; L541-L621 HydrophobicContact CD1-CD2 4.2Å; L541-L621 HydrophobicContact CG-CD1 4.1Å; L621-Y623 HydrophobicContact CB-CE2 3.93Å
622L97.2Very high95.4Very high0 Ų032.8 Ų32.80%019%0.193CC..EExtended strand (participates in β ladder)trans-111116-178.1-55.8179.4000109I496 C497 Y499 V523 L535 V538 P594 W598 L620I496-L622 CarbonylContact C-O 3.45Å; I496-L622 WeakPolarHBondContact CA-O 3.37Å; C497-L622 HydrophobicContact CB-CB 4.26Å; C497-L622 PolarHBondContact N-O 2.75Å; C497-L622 PolarHBondContact O-N 2.96Å; Y499-L622 HydrophobicContact CD2-CD1 4.35Å; Y499-L622 HydrophobicContact CE2-CD1 3.99Å; V523-L622 HydrophobicContact CG1-CD1 3.72Å; L535-L622 HydrophobicContact CD2-CB 3.93Å; L535-L622 HydrophobicContact CD2-CD2 4.03Å; L535-L622 HydrophobicContact CD2-CG 4.42Å; V538-L622 HydrophobicContact CB-CD2 4.37Å; V538-L622 HydrophobicContact CG1-CD2 3.92Å; V538-L622 HydrophobicContact CG2-CD2 3.76Å; P594-L622 HydrophobicContact CB-CD1 3.77Å; W598-L622 HydrophobicContact CH2-CD2 4.42Å; W598-L622 HydrophobicContact CZ2-CD2 4.09Å; L620-L622 HydrophobicContact CD1-CD2 3.83Å; L620-L622 HydrophobicContact CD2-CD1 4.24Å; L620-L622 HydrophobicContact CD2-CD2 3.91Å; L620-L622 HydrophobicContact CD2-CG 4.19Å; L620-L622 HydrophobicContact CG-CD2 3.67Å; L620-L622 HydrophobicContact CG-CG 4.01Å
623Y97.7Very high95.5Very high15 Ų1532.8 Ų32.86%0.05919%0.185CC..EExtended strand (participates in β ladder)trans-102133.9174.8-58.4-109.6000108.6V358 H495 I496 E536 H537 Q539 L621V358-Y623 HydrophobicContact CG1-CD2 4.35Å; V358-Y623 HydrophobicContact CG1-CE1 4.38Å; V358-Y623 HydrophobicContact CG1-CE2 4.07Å; V358-Y623 HydrophobicContact CG2-CE1 4.32Å; H495-Y623 WeakPolarHBondContact O-CA 3.45Å; I496-Y623 HydrophobicContact CD1-CD1 3.81Å; I496-Y623 HydrophobicContact CD1-CE1 3.31Å; I496-Y623 HydrophobicContact CG1-CD1 3.56Å; I496-Y623 HydrophobicContact CG1-CE1 3.61Å; I496-Y623 HydrophobicContact CG1-CG 4.32Å; I496-Y623 HydrophobicContact CG2-CE1 4.41Å; E536-Y623 PolarHBondContact N-O 3.08Å; H537-Y623 HydrophobicContact CB-CD2 3.91Å; H537-Y623 HydrophobicContact CB-CG 4.05Å; H537-Y623 PolarHBondContact N-O 2.87Å; H537-Y623 WeakPolarHBondContact O-CB 3.13Å; H537-Y623 WeakPolarHBondContact O-CD2 3.47Å; H537-Y623 PolarHBondContact O-N 2.86Å; Q539-Y623 HydrophobicContact CB-CE2 4.29Å; Q539-Y623 HydrophobicContact CG-CE2 4.17Å; Q539-Y623 PolarHBondContact OE1-OH 3.07Å; L621-Y623 HydrophobicContact CB-CE2 3.93Å
624G97.5Very high95.4Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans171.7-160.9176.700000112.8Q494 H495 Y534Q494-G624 CarbonylContact C-O 3.54Å; Q494-G624 WeakPolarHBondContact CA-O 3.36Å; H495-G624 PolarHBondContact N-O 3.44Å; H495-G624 PolarHBondContact O-N 3.05Å; H495-G624 VanDerWaalsContact O-N 3.09Å; Y534-G624 CarbonylContact O-C 3.58Å; Y534-G624 WeakPolarHBondContact O-CA 3.41Å
625T96.9Very high95.3Very high1 Ų144.7 Ų44.71%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-123156.3-172.4580000111.9P492 L533 Y534 E627P492-T625 HydrophobicContact CB-CG2 4Å; P492-T625 HydrophobicContact CG-CG2 4.49Å; P492-T625 WeakPolarHBondContact O-CG2 3.13Å; L533-T625 PolarHBondContact N-O 2.84Å; Y534-T625 PolarHBondContact N-O 3.06Å; Y534-T625 PolarHBondContact O-N 3.47Å; T625-E627 WeakPolarHBondContact CB-O 3.33Å; T625-E627 PolarHBondContact OG1-O 3.1Å
626A94.9Very high95Very high27 Ų2747.2 Ų47.222%0.22325%0.246CC..SBendtrans-77.1-26.817100000112.6T530 P531 Y534T530-A626 HydrophobicContact CG2-CB 3.71Å; P531-A626 HydrophobicContact CG-CB 4.12Å; P531-A626 WeakPolarHBondContact O-CA 3.27Å; P531-A626 WeakPolarHBondContact O-CB 3.33Å; P531-A626 PolarHBondContact O-N 3.29Å; Y534-A626 WeakPolarHBondContact CE2-O 3.45Å
627E95.1Very high94.6Very high124 Ų12448.2 Ų48.258%0.57926%0.258SS*.SBendtrans-113.7153.3-177.7-63.6-173.9173.400110.8P492 Y534 T625P492-E627 HydrophobicContact CB-CB 4.46Å; P492-E627 HydrophobicContact CG-CB 3.94Å; Y534-E627 VanDerWaalsContact CD2-O 3.3Å; Y534-E627 WeakPolarHBondContact CD2-O 3.11Å; Y534-E627 VanDerWaalsContact CE2-C 3.41Å; T625-E627 WeakPolarHBondContact CB-O 3.33Å; T625-E627 PolarHBondContact OG1-O 3.1Å
628P96.8Very high93.6Very high15 Ų1550.9 Ų50.910%0.09728%0.282CS..  trans-56.1148.2175.1-15.423.4000111.8Y534 Q630 D633 R635Y534-P628 HydrophobicContact CD1-CB 4.4Å; Y534-P628 HydrophobicContact CE1-CB 3.98Å; Y534-P628 HydrophobicContact CE1-CG 3.91Å; Y534-P628 HydrophobicContact CE2-CB 4.49Å; Y534-P628 HydrophobicContact CE2-CG 4.03Å; Y534-P628 VanDerWaalsContact CE2-N 3.32Å; Y534-P628 WeakPolarHBondContact OH-CG 3.46Å; P628-Q630 VanDerWaalsContact C-N 3.31Å; P628-Q630 PolarHBondContact O-N 3.33Å; P628-D633 HydrophobicContact CB-CB 3.69Å; P628-R635 HydrophobicContact CG-CG 3.8Å
629A96.8Very high92.2Very high8 Ų855.7 Ų55.77%0.06631%0.311CS..SBendtrans-64.6-36.5-178.300000112.4H441 V491H441-A629 WeakPolarHBondContact CE1-CB 3.38Å; V491-A629 HydrophobicContact CG1-CB 3.84Å
630Q97.4Very high90.5Very high27 Ų2758.6 Ų58.613%0.12633%0.328CS..SBendtrans-123.3152.6174.5-65-57.8-50.800111.8W488 K489 P628 N632 D633W488-Q630 VanDerWaalsContact CD2-NE2 3.34Å; W488-Q630 HydrophobicContact CE3-CG 4.11Å; W488-Q630 HydrophobicContact CH2-CG 3.66Å; W488-Q630 HydrophobicContact CZ2-CG 4.26Å; W488-Q630 HydrophobicContact CZ3-CG 3.58Å; K489-Q630 PolarHBondContact O-NE2 2.64Å; P628-Q630 VanDerWaalsContact C-N 3.31Å; P628-Q630 PolarHBondContact O-N 3.33Å; Q630-N632 PolarHBondContact O-N 3.43Å; Q630-N632 VanDerWaalsContact O-N 3.1Å; Q630-D633 PolarHBondContact N-OD2 3.17Å; Q630-D633 WeakPolarHBondContact O-CB 3.45Å; Q630-D633 PolarHBondContact O-N 3.21Å
631P93Very high88.6Confident90 Ų9061.3 Ų61.358%0.58435%0.346SS*.THydrogen-bonded Turntrans-57.1-28.9179.7-26.935.1000115.1K489K489-P631 HydrophobicContact CD-CG 4.11Å
632N91.2Very high86.2Confident157 Ų15765.4 Ų65.484%0.8438%0.375SS*.THydrogen-bonded Turntrans-93.2-3-179.6-64-16.2000113.1Q630Q630-N632 PolarHBondContact O-N 3.43Å; Q630-N632 VanDerWaalsContact O-N 3.1Å
633D94.2Very high83.7Confident34 Ų3470.7 Ų70.718%0.18241%0.412CS..SBendtrans-67.1137.4175.4-77.3-18.5000109.5R445 P628 Q630 R635R445-D633 IonicContact CZ-OD1 2.7Å; R445-D633 IonicContact CZ-OD2 3.44Å; R445-D633 IonicContact NH1-OD1 3.95Å; R445-D633 PolarHBondContact NH1-OD1 2.86Å; R445-D633 IonicContact NH1-OD2 2.9Å; R445-D633 PolarHBondContact NH1-OD2 2.93Å; R445-D633 IonicContact NH2-OD1 3.25Å; R445-D633 IonicContact NH2-OD2 3.67Å; R445-D633 PolarHBondContact NH2-OD2 3.09Å; P628-D633 HydrophobicContact CB-CB 3.69Å; Q630-D633 PolarHBondContact N-OD2 3.17Å; Q630-D633 WeakPolarHBondContact O-CB 3.45Å; Q630-D633 PolarHBondContact O-N 3.21Å; D633-R635 PolarHBondContact O-N 3.18Å
634P91.1Very high80.8Confident108 Ų10875.2 Ų75.270%0.70144%0.441SS*.PPolyproline II helixtrans-56.3135.6178.6-24.733.6000111.6Y534Y534-P634 WeakPolarHBondContact CE1-O 3.39Å
635R92.8Very high78Confident197 Ų19780.6 Ų80.674%0.74348%0.479SS*.PPolyproline II helixtrans-83.7133.5174.2-69.5-178.2177.8-128.2-2110.6Y534 P628 D633Y534-R635 VanDerWaalsContact OH-CA 3.3Å; Y534-R635 WeakPolarHBondContact OH-CA 3.47Å; P628-R635 HydrophobicContact CG-CG 3.8Å; D633-R635 PolarHBondContact O-N 3.18Å
636H90Very high75.5Confident54 Ų5484.7 Ų84.725%0.2551%0.512CS..PPolyproline II helixtrans-69146.9171.8-62.6-50.4000111L533 Y534 G591 D593L533-H636 PolarHBondContact O-CD2 3.2Å; L533-H636 PolarHBondContact O-NE2 2.89Å; Y534-H636 AromaticContact CD1-CD2 3.56Å; Y534-H636 AromaticContact CD1-NE2 3.47Å; Y534-H636 WeakPolarHBondContact CD1-NE2 3Å; Y534-H636 AromaticContact CE1-CD2 3.27Å; Y534-H636 WeakPolarHBondContact CE1-CD2 3.26Å; Y534-H636 AromaticContact CE1-NE2 3.53Å; Y534-H636 AromaticContact CZ-CD2 3.66Å; Y534-H636 PolarHBondContact OH-N 3.23Å; Y534-H636 VanDerWaalsContact OH-N 3.12Å; G591-H636 PolarHBondContact O-CE1 2.79Å; G591-H636 PolarHBondContact O-NE2 3.28Å; D593-H636 HydrophobicContact CB-CB 4.36Å; D593-H636 PolarHBondContact N-NE2 3.11Å
637S83Confident72.9Confident72 Ų7289.6 Ų89.650%0.50353%0.531SS..PPolyproline II helixtrans-64.3146.4-179.957.90000111.9R595 V639R595-S637 PolarHBondContact NH1-O 2.99Å; R595-S637 PolarHBondContact NH2-O 2.61Å; S637-V639 PolarHBondContact O-N 3.42Å; S637-V639 PolarHBondContact OG-O 2.72Å; S637-V639 VanDerWaalsContact OG-O 3.14Å
638S73Confident70.6Confident116 Ų11685.9 Ų85.981%0.81152%0.519SS*.SBendtrans-64.1-28.5172.753.40000112.7R595 V640R595-S638 PolarHBondContact NH1-O 2.94Å; S638-V640 PolarHBondContact O-N 3.22Å
639V66.6Low68.4Low102 Ų10288.6 Ų88.662%0.61854%0.536SS*.SBendtrans-71.8123.7177.1-173.80000109.9S637S637-V639 PolarHBondContact O-N 3.42Å; S637-V639 PolarHBondContact OG-O 2.72Å; S637-V639 VanDerWaalsContact OG-O 3.14Å
640V60.8Low66.1Low74 Ų7489.9 Ų89.945%0.44854%0.54SS..PPolyproline II helixtrans-65126.7166.6-178.50000107.2R595 S638 S642R595-V640 HydrophobicContact CB-CG1 4.45Å; S638-V640 PolarHBondContact O-N 3.22Å; V640-S642 PolarHBondContact O-N 3.13Å
641P56.8Low64.4Low57 Ų5792.3 Ų92.337%0.3755%0.554SS.*PPolyproline II helixtrans-52.9117.6175.5-25.935000109.7S643P641-S643 PolarHBondContact O-N 2.62Å
642S47.7Very low62.7Low96 Ų9695.7 Ų95.767%0.67156%0.555SS**PPolyproline II helixtrans-59.1128.6179.349.90000109.5V640 V644V640-S642 PolarHBondContact O-N 3.13Å; S642-V644 PolarHBondContact O-N 3.3Å
643S44.5Very low61.2Low111 Ų11190 Ų9078%0.77652%0.524SS*.  trans-69.118.517852.30000114.3P641P641-S643 PolarHBondContact O-N 2.62Å
644V36.5Very low59.5Low109 Ų10990.2 Ų90.266%0.66153%0.527SS*.SBendtrans-101.1103-167.3-164.60000111.2S642 A646S642-V644 PolarHBondContact O-N 3.3Å; V644-A646 PolarHBondContact O-N 3.4Å
645S40Very low58.3Low114 Ų11491.2 Ų91.280%0.79752%0.523SS*.SBendtrans60.92914676.20000121.7
646A43.3Very low56.9Low86 Ų8687 Ų8771%0.71151%0.511SS*.SBendtrans-94.4135.6149.400000107.5V644 S648V644-A646 PolarHBondContact O-N 3.4Å; A646-S648 PolarHBondContact O-N 3.03Å
647E41.5Very low55.4Low131 Ų13186.7 Ų86.761%0.61251%0.511SS*.  trans-36.1118.5171.3-74.9178.1154.500109.1R652E647-R652 IonicContact OE2-NE 2.68Å; E647-R652 IonicContact OE2-NH2 2.72Å
648S46.2Very low54.4Low46 Ų4685.5 Ų85.532%0.32251%0.505SS..  trans-57.1137.9-171178.10000108.2A646 F650 D651 R652A646-S648 PolarHBondContact O-N 3.03Å; S648-F650 CarbonylContact O-C 3.45Å; S648-F650 PolarHBondContact O-N 3.19Å; S648-F650 WeakPolarHBondContact OG-CB 3.36Å; S648-F650 PolarHBondContact OG-N 2.93Å; S648-D651 WeakPolarHBondContact CB-OD2 3.28Å; S648-D651 PolarHBondContact N-OD2 3.49Å; S648-D651 PolarHBondContact O-N 3.02Å; S648-R652 PolarHBondContact O-N 3.16Å
649P51.1Low54Low72 Ų7282 Ų8247%0.46848%0.48SS..Hα-helixtrans-46.7-31.8167.1-26.833.7000111.5R652 I653P649-R652 PolarHBondContact O-N 3.23Å; P649-I653 WeakPolarHBondContact O-CB 3.43Å; P649-I653 VanDerWaalsContact O-CD1 3.29Å; P649-I653 WeakPolarHBondContact O-CD1 3Å; P649-I653 WeakPolarHBondContact O-CG1 3.46Å; P649-I653 PolarHBondContact O-N 2.89Å
650F48.7Very low53.8Low34 Ų3481.5 Ų81.515%0.14947%0.471CS..Hα-helixtrans-55.2-51.1169.8-172-94.6000113.4N518 F557 T599 S648 R652 I653 T654N518-F650 WeakPolarHBondContact ND2-CZ 3.39Å; F557-F650 HydrophobicContact CB-CD2 4.04Å; F557-F650 HydrophobicContact CB-CE2 4.21Å; F557-F650 HydrophobicContact CD1-CD2 4.18Å; F557-F650 HydrophobicContact CD1-CE2 4.25Å; F557-F650 HydrophobicContact CD2-CD2 4.13Å; F557-F650 AromaticContact CD2-CE2 3.51Å; F557-F650 HydrophobicContact CD2-CE2 3.51Å; F557-F650 AromaticContact CE2-CE2 3.83Å; F557-F650 HydrophobicContact CE2-CE2 3.83Å; F557-F650 AromaticContact CG-CD2 3.84Å; F557-F650 HydrophobicContact CG-CD2 3.84Å; F557-F650 AromaticContact CG-CE2 3.72Å; F557-F650 HydrophobicContact CG-CE2 3.72Å; F557-F650 HydrophobicContact CZ-CE2 4.34Å; T599-F650 HydrophobicContact CG2-CE2 3.82Å; T599-F650 HydrophobicContact CG2-CZ 4.07Å; S648-F650 CarbonylContact O-C 3.45Å; S648-F650 PolarHBondContact O-N 3.19Å; S648-F650 WeakPolarHBondContact OG-CB 3.36Å; S648-F650 PolarHBondContact OG-N 2.93Å; F650-R652 VanDerWaalsContact C-N 3.28Å; F650-R652 PolarHBondContact O-N 2.88Å; F650-I653 CarbonylContact O-C 3.56Å; F650-I653 PolarHBondContact O-N 2.77Å; F650-I653 VanDerWaalsContact O-N 3.07Å; F650-T654 WeakPolarHBondContact CE1-OG1 3Å; F650-T654 PolarHBondContact O-N 2.82Å; F650-T654 PolarHBondContact O-OG1 3.32Å
651D60.7Low53.7Low79 Ų7982.2 Ų82.242%0.42247%0.47SS..Hα-helixtrans-61.5-39.2-178.9-63.9-41.4000111.1S648 Q655S648-D651 WeakPolarHBondContact CB-OD2 3.28Å; S648-D651 PolarHBondContact N-OD2 3.49Å; S648-D651 PolarHBondContact O-N 3.02Å; D651-Q655 VanDerWaalsContact O-CB 3.31Å; D651-Q655 WeakPolarHBondContact O-CB 3.33Å; D651-Q655 WeakPolarHBondContact O-CG 3.5Å; D651-Q655 PolarHBondContact O-N 3.3Å
652R58.3Low54.1Low161 Ų16186.9 Ų86.961%0.60848%0.484SS*.Hα-helixtrans-64.9-41174-70.3-174.9180-179.61.7112.3E647 S648 P649 F650 H656E647-R652 IonicContact OE2-NE 2.68Å; E647-R652 IonicContact OE2-NH2 2.72Å; S648-R652 PolarHBondContact O-N 3.16Å; P649-R652 PolarHBondContact O-N 3.23Å; F650-R652 VanDerWaalsContact C-N 3.28Å; F650-R652 PolarHBondContact O-N 2.88Å; R652-H656 WeakPolarHBondContact O-CB 3.42Å; R652-H656 PolarHBondContact O-N 2.84Å
653I58.3Low55Low37 Ų3788.2 Ų88.219%0.1948%0.478CS..Hα-helixtrans-70.5-44.8179-67.5159.3000110.8F557 G561 P649 F650 Q655 H656 I657F557-I653 HydrophobicContact CD1-CG2 4.29Å; F557-I653 HydrophobicContact CE1-CG2 3.71Å; G561-I653 WeakPolarHBondContact O-CD1 3.37Å; P649-I653 WeakPolarHBondContact O-CB 3.43Å; P649-I653 VanDerWaalsContact O-CD1 3.29Å; P649-I653 WeakPolarHBondContact O-CD1 3Å; P649-I653 WeakPolarHBondContact O-CG1 3.46Å; P649-I653 PolarHBondContact O-N 2.89Å; F650-I653 CarbonylContact O-C 3.56Å; F650-I653 PolarHBondContact O-N 2.77Å; F650-I653 VanDerWaalsContact O-N 3.07Å; I653-Q655 VanDerWaalsContact C-N 3.3Å; I653-Q655 PolarHBondContact O-N 3.26Å; I653-H656 CarbonylContact O-C 3.54Å; I653-H656 PolarHBondContact O-N 2.98Å; I653-I657 HydrophobicContact CG2-CD1 3.7Å; I653-I657 HydrophobicContact CG2-CG1 4.18Å; I653-I657 WeakPolarHBondContact O-CG1 3.19Å; I653-I657 PolarHBondContact O-N 3.07Å
654T59.8Low55.7Low39 Ų3989.6 Ų89.624%0.23947%0.47CS..Hα-helixtrans-60.8-41.5176.1-48.30000110.6F650 A658F650-T654 WeakPolarHBondContact CE1-OG1 3Å; F650-T654 PolarHBondContact O-N 2.82Å; F650-T654 PolarHBondContact O-OG1 3.32Å; T654-A658 VanDerWaalsContact O-CB 3.27Å; T654-A658 WeakPolarHBondContact O-CB 3.38Å; T654-A658 PolarHBondContact O-N 3.41Å
655Q65.7Low56.8Low129 Ų12991.6 Ų91.660%0.60347%0.47SS*.Hα-helixtrans-63.7-40.5171.8-73.6175.911.100112.3D651 I653 S659D651-Q655 VanDerWaalsContact O-CB 3.31Å; D651-Q655 WeakPolarHBondContact O-CB 3.33Å; D651-Q655 WeakPolarHBondContact O-CG 3.5Å; D651-Q655 PolarHBondContact O-N 3.3Å; I653-Q655 VanDerWaalsContact C-N 3.3Å; I653-Q655 PolarHBondContact O-N 3.26Å; Q655-S659 WeakPolarHBondContact O-CB 3.42Å; Q655-S659 PolarHBondContact O-N 2.87Å
656H62.8Low57.6Low108 Ų10891.7 Ų91.750%0.546%0.458SS..Hα-helixtrans-66.5-45.9178.1-164.379.3000112.1R652 I653 S659 Q660R652-H656 WeakPolarHBondContact O-CB 3.42Å; R652-H656 PolarHBondContact O-N 2.84Å; I653-H656 CarbonylContact O-C 3.54Å; I653-H656 PolarHBondContact O-N 2.98Å; H656-S659 WeakPolarHBondContact O-CA 3.5Å; H656-S659 WeakPolarHBondContact O-CB 3.03Å; H656-S659 PolarHBondContact O-N 2.67Å; H656-S659 VanDerWaalsContact O-N 3.11Å; H656-S659 PolarHBondContact O-OG 3.2Å; H656-Q660 PolarHBondContact NE2-NE2 3.18Å; H656-Q660 VanDerWaalsContact NE2-NE2 3.15Å; H656-Q660 WeakPolarHBondContact O-CG 3.32Å; H656-Q660 PolarHBondContact O-N 2.02Å
657I58.8Low58.3Low47 Ų4796.7 Ų96.724%0.24146%0.458CS..Hα-helixtrans-59.1-49.3175-68170.9000109.8F557 I653 S659 Q660 E661F557-I657 HydrophobicContact CE1-CD1 4.15Å; F557-I657 HydrophobicContact CZ-CD1 4.13Å; I653-I657 HydrophobicContact CG2-CD1 3.7Å; I653-I657 HydrophobicContact CG2-CG1 4.18Å; I653-I657 WeakPolarHBondContact O-CG1 3.19Å; I653-I657 PolarHBondContact O-N 3.07Å; I657-S659 PolarHBondContact O-N 2.75Å; I657-Q660 PolarHBondContact O-N 3.33Å; I657-Q660 VanDerWaalsContact O-N 3.09Å; I657-E661 PolarHBondContact O-N 3.48Å
658A61.6Low58.8Low47 Ų4795 Ų9539%0.38845%0.454SS..Hα-helixtrans-58.7-33.717600000112.4T654 K662T654-A658 VanDerWaalsContact O-CB 3.27Å; T654-A658 WeakPolarHBondContact O-CB 3.38Å; T654-A658 PolarHBondContact O-N 3.41Å; A658-K662 WeakPolarHBondContact O-CB 3.39Å; A658-K662 WeakPolarHBondContact O-CG 3.38Å; A658-K662 PolarHBondContact O-N 3.31Å; A658-K662 VanDerWaalsContact O-N 3.1Å
659S65.7Low59.2Low42 Ų4296.5 Ų96.529%0.29446%0.464SS..Hα-helixtrans-71.1-39.7175.486.80000113Q655 H656 I657 K662 K663Q655-S659 WeakPolarHBondContact O-CB 3.42Å; Q655-S659 PolarHBondContact O-N 2.87Å; H656-S659 WeakPolarHBondContact O-CA 3.5Å; H656-S659 WeakPolarHBondContact O-CB 3.03Å; H656-S659 PolarHBondContact O-N 2.67Å; H656-S659 VanDerWaalsContact O-N 3.11Å; H656-S659 PolarHBondContact O-OG 3.2Å; I657-S659 PolarHBondContact O-N 2.75Å; S659-K662 PolarHBondContact O-N 2.85Å; S659-K663 WeakPolarHBondContact O-CG 3.44Å; S659-K663 PolarHBondContact O-N 2.97Å
660Q61Low59.2Low92 Ų92102.2 Ų102.243%0.4348%0.476SS..Hα-helixtrans-68.8-41.4178.1-68.9-69.9-8.400110.8H656 I657 K663 K664H656-Q660 PolarHBondContact NE2-NE2 3.18Å; H656-Q660 VanDerWaalsContact NE2-NE2 3.15Å; H656-Q660 WeakPolarHBondContact O-CG 3.32Å; H656-Q660 PolarHBondContact O-N 2.02Å; I657-Q660 PolarHBondContact O-N 3.33Å; I657-Q660 VanDerWaalsContact O-N 3.09Å; Q660-K663 PolarHBondContact O-N 3.22Å; Q660-K664 PolarHBondContact O-N 3.45Å
661E59.5Low59.2Low90 Ų90107.6 Ų107.642%0.42151%0.507SS..Hα-helixtrans-65.2-38.9174.9-71.6-172.7168.700112.4I657 K664 K665I657-E661 PolarHBondContact O-N 3.48Å; E661-K664 PolarHBondContact O-N 3.33Å; E661-K665 PolarHBondContact O-N 2.96Å
662K64.4Low57.7Low154 Ų154113.5 Ų113.567%0.6752%0.523SS*.Hα-helixtrans-61.2-43.4170.9-86.2-177.6177.5177.40112A658 S659 K665 Q666A658-K662 WeakPolarHBondContact O-CB 3.39Å; A658-K662 WeakPolarHBondContact O-CG 3.38Å; A658-K662 PolarHBondContact O-N 3.31Å; A658-K662 VanDerWaalsContact O-N 3.1Å; S659-K662 PolarHBondContact O-N 2.85Å; K662-K665 PolarHBondContact O-N 2.94Å; K662-Q666 WeakPolarHBondContact O-CB 3.38Å; K662-Q666 WeakPolarHBondContact O-CG 3.3Å; K662-Q666 PolarHBondContact O-N 2.87Å
663K66.9Low56.5Low124 Ų124114 Ų11454%0.53953%0.533SS..Hα-helixtrans-64-39.3176.1-76.6178.7-179.1177.40112.1S659 Q660 Q666 R667S659-K663 WeakPolarHBondContact O-CG 3.44Å; S659-K663 PolarHBondContact O-N 2.97Å; Q660-K663 PolarHBondContact O-N 3.22Å; K663-Q666 PolarHBondContact O-N 3.29Å; K663-R667 PolarHBondContact O-N 3.11Å
664K59.4Low55.4Low141 Ų141116.5 Ų116.561%0.61355%0.551SS**Hα-helixtrans-62.9-51.5175-171.2177.6178.1-178.50111Q660 E661 Q666 R667 D668Q660-K664 PolarHBondContact O-N 3.45Å; E661-K664 PolarHBondContact O-N 3.33Å; K664-Q666 VanDerWaalsContact C-N 3.27Å; K664-Q666 PolarHBondContact O-N 2.95Å; K664-R667 WeakPolarHBondContact O-CB 3.5Å; K664-R667 PolarHBondContact O-N 3.13Å; K664-D668 PolarHBondContact O-N 3.19Å
665K58.4Low54.4Low150 Ų150124.2 Ų124.265%0.65258%0.581SS**Hα-helixtrans-57.1-38.2174.8-76.1178.3177.2171.50112.8E661 K662 S669E661-K665 PolarHBondContact O-N 2.96Å; K662-K665 PolarHBondContact O-N 2.94Å; K665-S669 WeakPolarHBondContact O-CB 3.03Å; K665-S669 PolarHBondContact O-N 2.71Å; K665-S669 PolarHBondContact O-OG 3.24Å
666Q58.2Low52.7Low117 Ų117127.6 Ų127.655%0.54759%0.594SS.*Hα-helixtrans-69-35175.5-81.4-178.8-13.200113.5K662 K663 K664 S669 R670K662-Q666 WeakPolarHBondContact O-CB 3.38Å; K662-Q666 WeakPolarHBondContact O-CG 3.3Å; K662-Q666 PolarHBondContact O-N 2.87Å; K663-Q666 PolarHBondContact O-N 3.29Å; K664-Q666 VanDerWaalsContact C-N 3.27Å; K664-Q666 PolarHBondContact O-N 2.95Å; Q666-S669 PolarHBondContact O-OG 2.9Å; Q666-R670 WeakPolarHBondContact O-CG 3.37Å; Q666-R670 PolarHBondContact O-N 3.34Å
667R56.9Low51.3Low190 Ų190128.9 Ų128.972%0.71761%0.609SS**Hα-helixtrans-67.1-50.4172.9-95.8-175.6171.3179.3-3110.9K663 K664 S669 R670 D671K663-R667 PolarHBondContact O-N 3.11Å; K664-R667 WeakPolarHBondContact O-CB 3.5Å; K664-R667 PolarHBondContact O-N 3.13Å; R667-S669 PolarHBondContact O-N 3.28Å; R667-R670 PolarHBondContact O-N 3.19Å; R667-D671 PolarHBondContact O-N 2.76Å
668D53.4Low50.2Low96 Ų96134.4 Ų134.451%0.51363%0.634SS.*Hα-helixtrans-61.7-33.3-179.3-61.7-17.2000111.4K664 W672K664-D668 PolarHBondContact O-N 3.19Å; D668-W672 PolarHBondContact O-N 3.42Å
669S54.5Low48.7Very low78 Ų78139.3 Ų139.355%0.54565%0.654SS.*Hα-helixtrans-72.2-22.8173.573.20000114.7K665 Q666 R667K665-S669 WeakPolarHBondContact O-CB 3.03Å; K665-S669 PolarHBondContact O-N 2.71Å; K665-S669 PolarHBondContact O-OG 3.24Å; Q666-S669 PolarHBondContact O-OG 2.9Å; R667-S669 PolarHBondContact O-N 3.28Å
670R50.9Low47.2Very low192 Ų192146.7 Ų146.773%0.72568%0.681SS**Hα-helixtrans-83.4-34.7178.8-78.8180-169.8-168.83.2112.1Q666 R667 W672Q666-R670 WeakPolarHBondContact O-CG 3.37Å; Q666-R670 PolarHBondContact O-N 3.34Å; R667-R670 PolarHBondContact O-N 3.19Å; R670-W672 VanDerWaalsContact C-N 3.26Å; R670-W672 PolarHBondContact O-N 3.08Å
671D47.3Very low45.8Very low147 Ų147151 Ų15179%0.78670%0.698SS**Hα-helixtrans-74.8-18177.4-79-18.7000112.6R667 Q673R667-D671 PolarHBondContact O-N 2.76Å; D671-Q673 PolarHBondContact O-N 3Å
672W29.3Very low44.4Very low203 Ų203152.1 Ų152.177%0.76972%0.715SS**  trans-91.170.7172.5-149.783.1000111.8D668 R670 P674D668-W672 PolarHBondContact O-N 3.42Å; R670-W672 VanDerWaalsContact C-N 3.26Å; R670-W672 PolarHBondContact O-N 3.08Å; W672-P674 HydrophobicContact CE3-CG 4.46Å; W672-P674 HydrophobicContact CZ3-CG 4.08Å
673Q33.6Very low43Very low172 Ų172152.5 Ų152.580%0.80472%0.724SS**  trans-96.6109.1159-74.5-160.4-18.300109.4D671 K675D671-Q673 PolarHBondContact O-N 3Å; Q673-K675 PolarHBondContact O-N 3.47Å
674P36Very low41.2Very low89 Ų89155.1 Ų155.158%0.57874%0.743SS**  trans-62.6123.517423.6-29.7000108.7W672 K676W672-P674 HydrophobicContact CE3-CG 4.46Å; W672-P674 HydrophobicContact CZ3-CG 4.08Å; P674-K676 PolarHBondContact O-N 2.94Å
675K37.2Very low40.1Very low201 Ų201153.9 Ų153.987%0.87475%0.747SS**  trans-49.2115.5174.1-73.8-176.4176.1178.10108.5Q673 V677Q673-K675 PolarHBondContact O-N 3.47Å; K675-V677 PolarHBondContact O-N 3.15Å
676K30.9Very low38.7Very low199 Ų199152.2 Ų152.287%0.86575%0.754SS**  trans-55.3110.2170-86.8-179.1174178.20108P674 E678P674-K676 PolarHBondContact O-N 2.94Å; K676-E678 PolarHBondContact O-N 3.1Å; K676-E678 VanDerWaalsContact O-N 3.08Å
677V34.6Very low37.5Very low136 Ų136151.4 Ų151.482%0.82477%0.767SS**  trans-70.699.7166.4178.90000106.3K675 N679K675-V677 PolarHBondContact O-N 3.15Å; V677-N679 PolarHBondContact O-N 3.47Å
678E33.7Very low36.3Very low163 Ų163151.2 Ų151.276%0.76278%0.775SS**  trans-66.7114.6170-83.4-174.7161.500109.3K676 K680K676-E678 PolarHBondContact O-N 3.1Å; K676-E678 VanDerWaalsContact O-N 3.08Å; E678-K680 VanDerWaalsContact C-N 3.35Å; E678-K680 PolarHBondContact O-N 2.89Å
679N31.6Very low35.4Very low150 Ų150152 Ų15280%0.80279%0.785SS**  trans-58.890168-92.9-31.6000110.5V677 K681V677-N679 PolarHBondContact O-N 3.47Å; N679-K681 PolarHBondContact O-N 2.98Å
680K34.1Very low34.4Very low197 Ų197158 Ų15886%0.85780%0.804SS**  trans-85.185.6157.3-79.4-174.2177.4178.50109E678E678-K680 VanDerWaalsContact C-N 3.35Å; E678-K680 PolarHBondContact O-N 2.89Å
681K31.3Very low33.2Very low183 Ų183155 Ų15580%0.79680%0.802SS**  trans-69.3151154.7-84.7-178.7173.7179.90109N679N679-K681 PolarHBondContact O-N 2.98Å
682S31Very low32.1Very low112 Ų112158.6 Ų158.678%0.78381%0.805SS**  trans78.997.6174.779.90000116.7
683L33.9Very low32.7Very low162 Ų162159.3 Ų159.385%0.84883%0.831SS**  -160.478.7128.4-99.3151.6000106.5V685L683-V685 HydrophobicContact CD2-CG2 4.01Å; L683-V685 PolarHBondContact O-N 2.82Å
684L29.8Very low32.6Very low180 Ų180158.7 Ų158.794%0.94283%0.832SS**  trans-66.4103157.1-85.8152.2000106.1
685V35Very low32.5Very low115 Ų115162.4 Ų162.470%0.69785%0.846SS**  trans-120105.2159.2-179.70000106.5L683 A687L683-V685 HydrophobicContact CD2-CG2 4.01Å; L683-V685 PolarHBondContact O-N 2.82Å; V685-A687 PolarHBondContact O-N 3.5Å
686S28.9Very low32.2Very low115 Ų115160.2 Ų160.280%0.80484%0.844SS**  trans-55.5123.8164.850.60000110.6
687A34.6Very low32.3Very low99 Ų99157.9 Ų157.982%0.81884%0.843SS**  trans-138.5124.2153.400000107.7V685V685-A687 PolarHBondContact O-N 3.5Å
688Q31.8Very low32.1Very low187 Ų187159.3 Ų159.387%0.87484%0.844SS**PPolyproline II helixtrans-67.3162-171.3-80-175-45.300113.7
689P34.2Very low32Very low113 Ų113159.1 Ų159.173%0.73485%0.849SS**PPolyproline II helixtrans-85.3122.4-177.933.3-29.4000110.9
690E32.9Very low32.1Very low202 Ų202159.7 Ų159.794%0.94485%0.853SS**PPolyproline II helixtrans-88.5119.1163.4-82-171.4160.500110.4
691L24.7Very low31.9Very low129 Ų129156.8 Ų156.868%0.67585%0.852SS**PPolyproline II helixtrans-78154.3169.6-109.9103.8000110.9
692R26.1Very low32Very low224 Ų224154.7 Ų154.785%0.84586%0.857SS**  trans75.5131.1156.3-63.8165.2-177.2-160.40114.8
693V40.8Very low32.1Very low218 Ų218158.5 Ų158.5100%1.32186%0.864SS**  cis-121.5034.8173.40000112.4

Retrieved 693 of 693 residues in 2030.8 ms (Link to these results)

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