A0A087XND5_POEFO Loading...

Transmembrane p24 trafficking protein 9

AlphaFold DB , UniProt , Accession A0A087XND5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 235 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
1T55.8Low53.3Low166 Ų166127.2 Ų127.2100%1.01865%0.646SS**  0-30.9042.50000113.1
2Q52.9Low53.5Low138 Ų138121.3 Ų121.365%0.64563%0.625SS**Hα-helixtrans-64.7-48176.5-156.870.116.400114.4Q4 F5 D6Q2-Q4 PolarHBondContact O-N 3.1Å; Q2-Q4 VanDerWaalsContact O-N 3.16Å; Q2-F5 PolarHBondContact O-N 3.14Å; Q2-D6 PolarHBondContact O-N 3Å; Q2-D6 VanDerWaalsContact O-N 3.15Å
3A53.6Low53.7Low72 Ų72121.8 Ų121.860%0.59562%0.623SS**Hα-helixtrans-63-24.9-178.800000114.3L7A3-L7 PolarHBondContact O-N 3.49Å
4Q49.2Very low54Low156 Ų156125.4 Ų125.473%0.72963%0.625SS**Hα-helixtrans-82.8-24.2178.8-157.7162.6-18.500111.8Q2 W8Q2-Q4 PolarHBondContact O-N 3.1Å; Q2-Q4 VanDerWaalsContact O-N 3.16Å; Q4-W8 WeakPolarHBondContact O-CB 3.45Å; Q4-W8 PolarHBondContact O-N 3.37Å
5F55Low54.5Low150 Ų150123 Ų12366%0.65862%0.619SS**Hα-helixtrans-80.2-37.6175-152.6-95.5000111.4Q2 W8 S9Q2-F5 PolarHBondContact O-N 3.14Å; F5-W8 PolarHBondContact O-N 3.02Å; F5-S9 WeakPolarHBondContact O-CB 3.34Å; F5-S9 PolarHBondContact O-N 3.49Å
6D53.7Low55.2Low88 Ų88126.8 Ų126.847%0.47162%0.624SS.*Hα-helixtrans-67.8-40.3175.5-68.6-33.7000112.3Q2 W8 S9 Q10Q2-D6 PolarHBondContact O-N 3Å; Q2-D6 VanDerWaalsContact O-N 3.15Å; D6-W8 VanDerWaalsContact C-N 3.31Å; D6-W8 PolarHBondContact O-N 3.36Å; D6-S9 PolarHBondContact O-N 3.36Å; D6-Q10 VanDerWaalsContact O-CB 3.31Å; D6-Q10 WeakPolarHBondContact O-CB 3.49Å; D6-Q10 PolarHBondContact O-N 3.12Å
7L53.3Low55.9Low115 Ų115126.4 Ų126.460%0.60262%0.622SS**Hα-helixtrans-62.5-36.7171.8-101.7146.9000112.5A3 M11A3-L7 PolarHBondContact O-N 3.49Å; L7-M11 WeakPolarHBondContact O-CB 3.27Å; L7-M11 PolarHBondContact O-N 3.4Å
8W51.3Low56.7Low195 Ų195126.4 Ų126.474%0.73962%0.62SS**Hα-helixtrans-73-39177.7-145.880.5000112.1Q4 F5 D6 S12Q4-W8 WeakPolarHBondContact O-CB 3.45Å; Q4-W8 PolarHBondContact O-N 3.37Å; F5-W8 PolarHBondContact O-N 3.02Å; D6-W8 VanDerWaalsContact C-N 3.31Å; D6-W8 PolarHBondContact O-N 3.36Å; W8-S12 VanDerWaalsContact O-CB 3.31Å; W8-S12 WeakPolarHBondContact O-CB 3.43Å; W8-S12 PolarHBondContact O-N 3.03Å
9S53.1Low57.5Low57 Ų57126.4 Ų126.440%0.39962%0.622SS.*Hα-helixtrans-65.9-41.6174.1-174.80000112.3F5 D6 S12 H13F5-S9 WeakPolarHBondContact O-CB 3.34Å; F5-S9 PolarHBondContact O-N 3.49Å; D6-S9 PolarHBondContact O-N 3.36Å; S9-S12 WeakPolarHBondContact O-CB 3.32Å; S9-S12 PolarHBondContact O-N 3.31Å; S9-H13 PolarHBondContact O-N 2.88Å
10Q55.3Low58.3Low137 Ų137124 Ų12464%0.6462%0.618SS**Hα-helixtrans-72.3-34.1179.2-155.6162.127.700112.6D6 R14D6-Q10 VanDerWaalsContact O-CB 3.31Å; D6-Q10 WeakPolarHBondContact O-CB 3.49Å; D6-Q10 PolarHBondContact O-N 3.12Å; Q10-R14 WeakPolarHBondContact O-CB 3.08Å; Q10-R14 PolarHBondContact O-N 3.01Å
11M53.3Low59.4Low125 Ų125122.5 Ų122.562%0.61661%0.611SS**Hα-helixtrans-65.4-43.4167.5-92.4176.471.700111.8L7 H13 R14 V15L7-M11 WeakPolarHBondContact O-CB 3.27Å; L7-M11 PolarHBondContact O-N 3.4Å; M11-H13 PolarHBondContact O-N 3.23Å; M11-R14 PolarHBondContact O-N 2.92Å; M11-V15 WeakPolarHBondContact O-CB 3.45Å; M11-V15 WeakPolarHBondContact O-CG2 3.44Å; M11-V15 PolarHBondContact O-N 3.49Å
12S55.4Low60.7Low56 Ų56119.3 Ų119.339%0.39259%0.592SS.*Hα-helixtrans-60.6-43.2178.8-179.80000112.8W8 S9 R16W8-S12 VanDerWaalsContact O-CB 3.31Å; W8-S12 WeakPolarHBondContact O-CB 3.43Å; W8-S12 PolarHBondContact O-N 3.03Å; S9-S12 WeakPolarHBondContact O-CB 3.32Å; S9-S12 PolarHBondContact O-N 3.31Å; S12-R16 WeakPolarHBondContact O-CB 3.26Å; S12-R16 PolarHBondContact O-N 2.64Å
13H56.2Low61.9Low128 Ų128118.9 Ų118.959%0.59359%0.588SS**Hα-helixtrans-66.8-40.8175.1-92.4-84.1000113.2S9 M11 R16 M17S9-H13 PolarHBondContact O-N 2.88Å; M11-H13 PolarHBondContact O-N 3.23Å; H13-R16 PolarHBondContact O-N 2.78Å; H13-M17 WeakPolarHBondContact O-CB 3.4Å; H13-M17 PolarHBondContact O-N 3.49Å
14R58Low63.1Low173 Ų173118.3 Ų118.365%0.65358%0.579SS**Hα-helixtrans-68.5-36.1178.9-158.7-179.6-84.7-161.1-3.3111.4Q10 M11 Q18Q10-R14 WeakPolarHBondContact O-CB 3.08Å; Q10-R14 PolarHBondContact O-N 3.01Å; M11-R14 PolarHBondContact O-N 2.92Å; R14-Q18 WeakPolarHBondContact O-CG 2.93Å; R14-Q18 PolarHBondContact O-N 2.81Å
15V61.8Low64.8Low89 Ų89114.5 Ų114.554%0.53957%0.567SS.*Hα-helixtrans-69.3-44.4173.6172.30000111.3M11 M17 Q18 L19M11-V15 WeakPolarHBondContact O-CB 3.45Å; M11-V15 WeakPolarHBondContact O-CG2 3.44Å; M11-V15 PolarHBondContact O-N 3.49Å; V15-M17 VanDerWaalsContact C-N 3.33Å; V15-M17 PolarHBondContact O-N 2.91Å; V15-Q18 PolarHBondContact O-N 2.95Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 PolarHBondContact O-N 3.16Å
16R65.7Low66Low184 Ų184113.5 Ų113.569%0.69456%0.563SS**Hα-helixtrans-59-42174.1-100.7179.3160.9-172.4-5.3112.6S12 H13 L19 S20S12-R16 WeakPolarHBondContact O-CB 3.26Å; S12-R16 PolarHBondContact O-N 2.64Å; H13-R16 PolarHBondContact O-N 2.78Å; R16-L19 PolarHBondContact O-N 2.81Å; R16-S20 WeakPolarHBondContact O-CB 3.46Å; R16-S20 PolarHBondContact O-N 3.45Å
17M66.3Low67.1Low119 Ų119112.4 Ų112.459%0.58656%0.556SS**Hα-helixtrans-67.7-43.2178.9-166.2174.281.800111.9H13 V15 S20 I21H13-M17 WeakPolarHBondContact O-CB 3.4Å; H13-M17 PolarHBondContact O-N 3.49Å; V15-M17 VanDerWaalsContact C-N 3.33Å; V15-M17 PolarHBondContact O-N 2.91Å; M17-S20 PolarHBondContact O-N 3.42Å; M17-I21 HydrophobicContact CG-CD1 4.29Å; M17-I21 VanDerWaalsContact O-CG1 3.3Å; M17-I21 WeakPolarHBondContact O-CG1 3.49Å; M17-I21 PolarHBondContact O-N 3.26Å
18Q70.4Confident68.3Low128 Ų128111.7 Ų111.760%0.59855%0.552SS**Hα-helixtrans-66-39.1175.1-74-155.5-4.300112.6R14 V15 S20 I21 V22R14-Q18 WeakPolarHBondContact O-CG 2.93Å; R14-Q18 PolarHBondContact O-N 2.81Å; V15-Q18 PolarHBondContact O-N 2.95Å; Q18-S20 VanDerWaalsContact C-N 3.31Å; Q18-S20 PolarHBondContact O-N 3.31Å; Q18-I21 PolarHBondContact O-N 3.18Å; Q18-V22 VanDerWaalsContact O-CG2 3.31Å; Q18-V22 WeakPolarHBondContact O-CG2 3.28Å; Q18-V22 PolarHBondContact O-N 3.18Å
19L71.6Confident69.5Low126 Ų126107 Ų10766%0.6654%0.542SS*.Hα-helixtrans-62.3-40175.6-146.583.7000111.5V15 R16 F23V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 PolarHBondContact O-N 3.16Å; R16-L19 PolarHBondContact O-N 2.81Å; L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 PolarHBondContact O-N 2.83Å
20S74.7Confident70.6Confident77 Ų77108.1 Ų108.154%0.53854%0.543SS..Hα-helixtrans-66.5-37.9176.7-1660000112.6R16 M17 Q18 S24R16-S20 WeakPolarHBondContact O-CB 3.46Å; R16-S20 PolarHBondContact O-N 3.45Å; M17-S20 PolarHBondContact O-N 3.42Å; Q18-S20 VanDerWaalsContact C-N 3.31Å; Q18-S20 PolarHBondContact O-N 3.31Å; S20-S24 WeakPolarHBondContact O-CB 3.06Å; S20-S24 PolarHBondContact O-N 3Å
21I80.3Confident71.4Confident93 Ų93108.7 Ų108.748%0.47754%0.543SS..Hα-helixtrans-68.7-46.3176.8-66.8163.5000110.2M17 Q18 F23 S24 V25M17-I21 HydrophobicContact CG-CD1 4.29Å; M17-I21 VanDerWaalsContact O-CG1 3.3Å; M17-I21 WeakPolarHBondContact O-CG1 3.49Å; M17-I21 PolarHBondContact O-N 3.26Å; Q18-I21 PolarHBondContact O-N 3.18Å; I21-F23 VanDerWaalsContact C-N 3.31Å; I21-F23 PolarHBondContact O-N 3.19Å; I21-S24 PolarHBondContact O-N 3.44Å; I21-V25 HydrophobicContact CG2-CG2 4.43Å; I21-V25 WeakPolarHBondContact O-CG2 3.12Å; I21-V25 PolarHBondContact O-N 3.1Å
22V83.1Confident72.2Confident99 Ų99111.8 Ų111.860%0.655%0.549SS*.Hα-helixtrans-61-42.1177.2172.30000110.8Q18 V25 F26Q18-V22 VanDerWaalsContact O-CG2 3.31Å; Q18-V22 WeakPolarHBondContact O-CG2 3.28Å; Q18-V22 PolarHBondContact O-N 3.18Å; V22-V25 PolarHBondContact O-N 2.93Å; V22-F26 WeakPolarHBondContact O-CB 3.45Å; V22-F26 PolarHBondContact O-N 3.46Å
23F79.1Confident72.8Confident129 Ų129115.8 Ų115.857%0.56657%0.567SS**Hα-helixtrans-63.7-42.5175.6-173.4-107.5000112.2L19 I21 V25 F26 L27L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.17Å; L19-F23 PolarHBondContact O-N 2.83Å; I21-F23 VanDerWaalsContact C-N 3.31Å; I21-F23 PolarHBondContact O-N 3.19Å; F23-V25 PolarHBondContact O-N 3.23Å; F23-F26 PolarHBondContact O-N 2.92Å; F23-L27 HydrophobicContact CD1-CD1 3.82Å; F23-L27 HydrophobicContact CD1-CG 4.4Å; F23-L27 HydrophobicContact CE1-CD1 3.45Å; F23-L27 VanDerWaalsContact CE1-CD1 3.45Å; F23-L27 HydrophobicContact CE1-CG 4.15Å; F23-L27 HydrophobicContact CZ-CD1 3.97Å; F23-L27 HydrophobicContact CZ-CD2 4.38Å; F23-L27 HydrophobicContact CZ-CG 4.28Å; F23-L27 WeakPolarHBondContact O-CG 3.13Å; F23-L27 PolarHBondContact O-N 3.12Å
24S79.1Confident73.2Confident60 Ų60114.1 Ų114.142%0.4257%0.569SS.*Hα-helixtrans-64.2-39.7175.8-1690000112.6S20 I21 L27 L28S20-S24 WeakPolarHBondContact O-CB 3.06Å; S20-S24 PolarHBondContact O-N 3Å; I21-S24 PolarHBondContact O-N 3.44Å; S24-L27 PolarHBondContact O-N 3.32Å; S24-L28 WeakPolarHBondContact O-CB 3.35Å; S24-L28 PolarHBondContact O-N 3.01Å
25V83.9Confident73.9Confident77 Ų77112.3 Ų112.347%0.46758%0.577SS.*Hα-helixtrans-68.5-37.9176.7171.70000111I21 V22 F23 L28 N29I21-V25 HydrophobicContact CG2-CG2 4.43Å; I21-V25 WeakPolarHBondContact O-CG2 3.12Å; I21-V25 PolarHBondContact O-N 3.1Å; V22-V25 PolarHBondContact O-N 2.93Å; F23-V25 PolarHBondContact O-N 3.23Å; V25-L28 PolarHBondContact O-N 2.91Å; V25-N29 PolarHBondContact O-N 2.85Å; V25-N29 PolarHBondContact O-ND2 2.84Å
26F79.4Confident74.2Confident129 Ų129112.5 Ų112.557%0.56658%0.582SS**Hα-helixtrans-64.4-44.1174.6-173.4-107.6000111.5V22 F23 N29 I30V22-F26 WeakPolarHBondContact O-CB 3.45Å; V22-F26 PolarHBondContact O-N 3.46Å; F23-F26 PolarHBondContact O-N 2.92Å; F26-N29 PolarHBondContact O-N 2.92Å; F26-I30 HydrophobicContact CD1-CD1 3.7Å; F26-I30 HydrophobicContact CE1-CD1 3.43Å; F26-I30 VanDerWaalsContact CE1-CD1 3.43Å; F26-I30 HydrophobicContact CE1-CG1 4.46Å; F26-I30 HydrophobicContact CG-CD1 4.45Å; F26-I30 HydrophobicContact CZ-CD1 3.97Å; F26-I30 WeakPolarHBondContact O-CG1 3.4Å; F26-I30 PolarHBondContact O-N 2.84Å; F26-I30 VanDerWaalsContact O-N 3.07Å
27L78.6Confident74.5Confident65 Ų65106.8 Ų106.834%0.3457%0.571SS.*Hα-helixtrans-61-45.5174-72.7177000111.9F23 S24 N29 I30 F31F23-L27 HydrophobicContact CD1-CD1 3.82Å; F23-L27 HydrophobicContact CD1-CG 4.4Å; F23-L27 HydrophobicContact CE1-CD1 3.45Å; F23-L27 VanDerWaalsContact CE1-CD1 3.45Å; F23-L27 HydrophobicContact CE1-CG 4.15Å; F23-L27 HydrophobicContact CZ-CD1 3.97Å; F23-L27 HydrophobicContact CZ-CD2 4.38Å; F23-L27 HydrophobicContact CZ-CG 4.28Å; F23-L27 WeakPolarHBondContact O-CG 3.13Å; F23-L27 PolarHBondContact O-N 3.12Å; S24-L27 PolarHBondContact O-N 3.32Å; L27-N29 VanDerWaalsContact C-N 3.32Å; L27-N29 PolarHBondContact O-N 3.05Å; L27-I30 WeakPolarHBondContact O-CB 3.17Å; L27-I30 PolarHBondContact O-N 3.46Å; L27-I30 VanDerWaalsContact O-N 3.12Å; L27-F31 HydrophobicContact CB-CE2 4.34Å; L27-F31 WeakPolarHBondContact O-CD2 3.42Å; L27-F31 PolarHBondContact O-N 2.85Å
28L78.6Confident75.3Confident99 Ų99107.4 Ų107.452%0.51858%0.575SS.*Hα-helixtrans-59.3-38.8176.1-100.2146.2000113S24 V25 F31 Y32S24-L28 WeakPolarHBondContact O-CB 3.35Å; S24-L28 PolarHBondContact O-N 3.01Å; V25-L28 PolarHBondContact O-N 2.91Å; L28-F31 PolarHBondContact O-N 2.81Å; L28-Y32 PolarHBondContact O-N 2.81Å; L28-Y32 VanDerWaalsContact O-N 3.15Å
29N75.4Confident76.2Confident97 Ų97105.6 Ų105.652%0.51956%0.564SS.*Hα-helixtrans-67.7-34.1175-86.3-84.5000112.8V25 F26 L27 N33V25-N29 PolarHBondContact O-N 2.85Å; V25-N29 PolarHBondContact O-ND2 2.84Å; F26-N29 PolarHBondContact O-N 2.92Å; L27-N29 VanDerWaalsContact C-N 3.32Å; L27-N29 PolarHBondContact O-N 3.05Å; N29-N33 PolarHBondContact O-ND2 2.95Å
30I75.9Confident77.1Confident81 Ų81101 Ų10142%0.41554%0.539SS..Hα-helixtrans-67.1-43175.1-68.9166.3000110.6F26 L27 Y32 N33F26-I30 HydrophobicContact CD1-CD1 3.7Å; F26-I30 HydrophobicContact CE1-CD1 3.43Å; F26-I30 VanDerWaalsContact CE1-CD1 3.43Å; F26-I30 HydrophobicContact CE1-CG1 4.46Å; F26-I30 HydrophobicContact CG-CD1 4.45Å; F26-I30 HydrophobicContact CZ-CD1 3.97Å; F26-I30 WeakPolarHBondContact O-CG1 3.4Å; F26-I30 PolarHBondContact O-N 2.84Å; F26-I30 VanDerWaalsContact O-N 3.07Å; L27-I30 WeakPolarHBondContact O-CB 3.17Å; L27-I30 PolarHBondContact O-N 3.46Å; L27-I30 VanDerWaalsContact O-N 3.12Å; I30-Y32 VanDerWaalsContact C-N 3.34Å; I30-Y32 PolarHBondContact O-N 3.19Å; I30-N33 PolarHBondContact O-N 2.94Å
31F71.6Confident77.8Confident148 Ų148100.4 Ų100.465%0.64953%0.527SS*.Hα-helixtrans-67.9-31.9-179.8-73.6-66.3000113.3L27 L28 N33 S34L27-F31 HydrophobicContact CB-CE2 4.34Å; L27-F31 WeakPolarHBondContact O-CD2 3.42Å; L27-F31 PolarHBondContact O-N 2.85Å; L28-F31 PolarHBondContact O-N 2.81Å; F31-N33 PolarHBondContact O-N 3.15Å; F31-S34 PolarHBondContact O-N 2.94Å
32Y70.8Confident78.2Confident190 Ų19096 Ų9675%0.74551%0.505SS*.Hα-helixtrans-62.7-26.2179.4-114-85.4000114.1L28 I30 S34L28-Y32 PolarHBondContact O-N 2.81Å; L28-Y32 VanDerWaalsContact O-N 3.15Å; I30-Y32 VanDerWaalsContact C-N 3.34Å; I30-Y32 PolarHBondContact O-N 3.19Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.12Å
33N67.9Low78.2Confident141 Ų14192 Ų9275%0.75448%0.484SS*.THydrogen-bonded Turntrans-86.5-0.5-176.2-74.1-76.7000114N29 I30 F31N29-N33 PolarHBondContact O-ND2 2.95Å; I30-N33 PolarHBondContact O-N 2.94Å; F31-N33 PolarHBondContact O-N 3.15Å
34S65.4Low78.2Confident93 Ų9390.3 Ų90.365%0.6548%0.477SS*.THydrogen-bonded Turntrans-104.215.1-169.1-60.70000115.1F31 Y32 S36F31-S34 PolarHBondContact O-N 2.94Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.12Å; S34-S36 PolarHBondContact O-N 2.89Å
35V71.7Confident78.1Confident135 Ų13593.3 Ų93.382%0.81849%0.493SS*.  trans-89.1103.1178.5-173.20000109.9
36S68.1Low78.2Confident93 Ų9393.1 Ų93.165%0.6549%0.487SS*.  trans-106130.6172.1-170.90000109.7S34S34-S36 PolarHBondContact O-N 2.89Å
37S73.3Confident78.8Confident64 Ų6491 Ų9145%0.44848%0.478SS..  trans-69.4146.9171.3610000110.6Y39S37-Y39 VanDerWaalsContact O-CD1 3.23Å; S37-Y39 WeakPolarHBondContact O-CD1 3.35Å; S37-Y39 PolarHBondContact O-N 2.95Å
38L81.6Confident79.5Confident131 Ų13191.2 Ų91.269%0.68648%0.476SS*.  trans-66.6119.1171.9-171.7116.5000109.9
39Y89.3Confident80.3Confident91 Ų9188.9 Ų88.936%0.35747%0.467SS..  trans-138.3155.9171.763.4-95.1000109.6S37 H41 R138 V139S37-Y39 VanDerWaalsContact O-CD1 3.23Å; S37-Y39 WeakPolarHBondContact O-CD1 3.35Å; S37-Y39 PolarHBondContact O-N 2.95Å; Y39-H41 AromaticContact CD2-CE1 3.99Å; Y39-H41 AromaticContact CE2-CE1 3.7Å; Y39-R138 HydrophobicContact CD2-CG 3.95Å; Y39-R138 HydrophobicContact CG-CG 4.2Å; Y39-V139 WeakPolarHBondContact CA-O 3.39Å
40F90.7Very high81.2Confident30 Ų3087.3 Ų87.313%0.13246%0.456CS..EExtended strand (participates in β ladder)trans-137.9164.4174.961.6-82.3000110.3I42 K48 F50 R138 V139 L141F40-I42 HydrophobicContact CD2-CD1 4.39Å; F40-I42 HydrophobicContact CD2-CG1 3.81Å; F40-I42 HydrophobicContact CE2-CD1 3.57Å; F40-I42 HydrophobicContact CE2-CG1 3.49Å; F40-I42 VanDerWaalsContact CE2-CG1 3.49Å; F40-I42 HydrophobicContact CZ-CD1 4.31Å; F40-K48 HydrophobicContact CD2-CB 4.35Å; F40-K48 HydrophobicContact CD2-CG 4.07Å; F40-K48 HydrophobicContact CE2-CB 3.89Å; F40-K48 HydrophobicContact CE2-CG 4.02Å; F40-F50 AromaticContact CD1-CZ 3.8Å; F40-F50 HydrophobicContact CD1-CZ 3.8Å; F40-F50 HydrophobicContact CD2-CZ 4.28Å; F40-F50 AromaticContact CE1-CE2 3.88Å; F40-F50 HydrophobicContact CE1-CE2 3.88Å; F40-F50 AromaticContact CE1-CZ 3.52Å; F40-F50 HydrophobicContact CE1-CZ 3.52Å; F40-F50 HydrophobicContact CE2-CE2 4.03Å; F40-F50 AromaticContact CE2-CZ 3.98Å; F40-F50 HydrophobicContact CE2-CZ 3.98Å; F40-F50 HydrophobicContact CG-CZ 4.18Å; F40-F50 AromaticContact CZ-CE2 3.57Å; F40-F50 HydrophobicContact CZ-CE2 3.57Å; F40-F50 AromaticContact CZ-CZ 3.61Å; F40-F50 HydrophobicContact CZ-CZ 3.61Å; F40-R138 CarbonylContact O-C 3.23Å; F40-R138 WeakPolarHBondContact O-CA 3.13Å; F40-V139 WeakPolarHBondContact CD1-O 3.44Å; F40-V139 HydrophobicContact CD2-CB 4.43Å; F40-V139 HydrophobicContact CE1-CB 4.02Å; F40-V139 HydrophobicContact CE1-CG1 4.01Å; F40-V139 HydrophobicContact CE2-CB 3.98Å; F40-V139 HydrophobicContact CE2-CG1 4.36Å; F40-V139 HydrophobicContact CE2-CG2 4.49Å; F40-V139 HydrophobicContact CZ-CB 3.74Å; F40-V139 HydrophobicContact CZ-CG1 3.69Å; F40-V139 PolarHBondContact N-O 2.95Å; F40-V139 PolarHBondContact O-N 3.32Å; F40-L141 HydrophobicContact CE1-CB 3.81Å; F40-L141 HydrophobicContact CE1-CD2 4.37Å; F40-L141 HydrophobicContact CZ-CB 4.47Å
41H89.6Confident82.1Confident64 Ų6488.5 Ų88.530%0.29646%0.462SS..EExtended strand (participates in β ladder)trans-107.2138.6177.5-57.398.2000109.8Y39 K48 L137 R138Y39-H41 AromaticContact CD2-CE1 3.99Å; Y39-H41 AromaticContact CE2-CE1 3.7Å; H41-K48 WeakPolarHBondContact O-CE 3.29Å; H41-L137 CarbonylContact C-O 3.58Å; H41-L137 VanDerWaalsContact CA-O 3.28Å; H41-L137 WeakPolarHBondContact CA-O 3.46Å; H41-R138 PolarHBondContact NE2-NE 2.97Å
42I89.6Confident83.1Confident1 Ų185.5 Ų85.51%0.00545%0.45CS..EExtended strand (participates in β ladder)trans-114.6122.8172.9-55.1-175.6000107.7F40 E46 K48 M85 L122 L137 V139F40-I42 HydrophobicContact CD2-CD1 4.39Å; F40-I42 HydrophobicContact CD2-CG1 3.81Å; F40-I42 HydrophobicContact CE2-CD1 3.57Å; F40-I42 HydrophobicContact CE2-CG1 3.49Å; F40-I42 VanDerWaalsContact CE2-CG1 3.49Å; F40-I42 HydrophobicContact CZ-CD1 4.31Å; I42-E46 HydrophobicContact CG2-CB 4.16Å; I42-E46 VanDerWaalsContact CG2-O 3.25Å; I42-E46 WeakPolarHBondContact CG2-O 3.1Å; I42-K48 HydrophobicContact CD1-CG 4.48Å; I42-K48 HydrophobicContact CG1-CG 3.92Å; I42-M85 HydrophobicContact CD1-CE 4.07Å; I42-M85 HydrophobicContact CD1-SD 4.28Å; I42-L122 HydrophobicContact CD1-CB 4.26Å; I42-L137 PolarHBondContact N-O 3.22Å; I42-L137 PolarHBondContact O-N 3.05Å; I42-V139 HydrophobicContact CD1-CB 4.34Å; I42-V139 HydrophobicContact CD1-CG2 3.58Å; I42-V139 HydrophobicContact CG1-CG2 3.82Å
43G83.5Confident84Confident15 Ų1581.5 Ų81.516%0.15544%0.438CS..EExtended strand (participates in β ladder)trans-79.9178.4173.100000113.8T45 E46 G135G43-T45 PolarHBondContact O-N 2.99Å; G43-E46 PolarHBondContact N-OE2 2.76Å; G43-E46 WeakPolarHBondContact O-CB 3.43Å; G43-E46 PolarHBondContact O-N 3.29Å; G43-G135 WeakPolarHBondContact CA-O 3.25Å
44E77.9Confident85.1Confident92 Ų9274.9 Ų74.943%0.4340%0.403SS..THydrogen-bonded Turntrans-58.6132173.8-73.2174.4-121.100111.2E46 F129 S130E44-E46 PolarHBondContact O-N 2.92Å; E44-F129 HydrophobicContact CB-CZ 4.34Å; E44-F129 HydrophobicContact CG-CE1 4.2Å; E44-F129 HydrophobicContact CG-CE2 4.28Å; E44-F129 HydrophobicContact CG-CZ 3.83Å; E44-S130 WeakPolarHBondContact OE1-CB 3.48Å
45T76.8Confident86.1Confident124 Ų12472.8 Ų72.876%0.76139%0.387SS*.THydrogen-bonded Turntrans52.312.6-179.262.70000115.1G43G43-T45 PolarHBondContact O-N 2.99Å
46E87.5Confident86.8Confident72 Ų7269.9 Ų69.934%0.33637%0.367SS..  trans-80.7131.3179.2-168.6178.9-162.900109.8I42 G43 E44 K48I42-E46 HydrophobicContact CG2-CB 4.16Å; I42-E46 VanDerWaalsContact CG2-O 3.25Å; I42-E46 WeakPolarHBondContact CG2-O 3.1Å; G43-E46 PolarHBondContact N-OE2 2.76Å; G43-E46 WeakPolarHBondContact O-CB 3.43Å; G43-E46 PolarHBondContact O-N 3.29Å; E44-E46 PolarHBondContact O-N 2.92Å; E46-K48 VanDerWaalsContact CD-CE 3.44Å; E46-K48 HydrophobicContact CG-CD 4.42Å; E46-K48 WeakPolarHBondContact OE1-CE 3.19Å; E46-K48 IonicContact OE1-NZ 3.92Å; E46-K48 PolarHBondContact OE1-NZ 2.85Å; E46-K48 IonicContact OE2-NZ 2.61Å
47K91.1Very high87.6Confident85 Ų8570.6 Ų70.637%0.3736%0.36SS..EExtended strand (participates in β ladder)trans-104.5118.3173.4-178.1171.9174.9175.20108.7E88 C121 H123K47-E88 IonicContact NZ-OE1 3.62Å; K47-E88 PolarHBondContact NZ-OE1 3.47Å; K47-E88 IonicContact NZ-OE2 3.54Å; K47-E88 PolarHBondContact NZ-OE2 2.9Å; K47-C121 HydrophobicContact CD-CB 4.19Å; K47-C121 WeakPolarHBondContact CE-SG 3.41Å; K47-C121 HydrophobicContact CG-CB 4Å; K47-H123 HydrophobicContact CB-CB 3.88Å; K47-H123 HydrophobicContact CG-CB 4.06Å
48K93.7Very high88.2Confident70 Ų7068.2 Ų68.230%0.30434%0.343SS..EExtended strand (participates in β ladder)trans-101.3127172.8-66.5-60.1-163.1-170.50108.7F40 H41 I42 E46 F50 C121 L122F40-K48 HydrophobicContact CD2-CB 4.35Å; F40-K48 HydrophobicContact CD2-CG 4.07Å; F40-K48 HydrophobicContact CE2-CB 3.89Å; F40-K48 HydrophobicContact CE2-CG 4.02Å; H41-K48 WeakPolarHBondContact O-CE 3.29Å; I42-K48 HydrophobicContact CD1-CG 4.48Å; I42-K48 HydrophobicContact CG1-CG 3.92Å; E46-K48 VanDerWaalsContact CD-CE 3.44Å; E46-K48 HydrophobicContact CG-CD 4.42Å; E46-K48 WeakPolarHBondContact OE1-CE 3.19Å; E46-K48 IonicContact OE1-NZ 3.92Å; E46-K48 PolarHBondContact OE1-NZ 2.85Å; E46-K48 IonicContact OE2-NZ 2.61Å; K48-F50 HydrophobicContact CB-CE2 4.38Å; K48-C121 CarbonylContact O-C 3.59Å; K48-C121 VanDerWaalsContact O-CA 3.28Å; K48-C121 WeakPolarHBondContact O-CA 3.38Å; K48-L122 PolarHBondContact N-O 3.33Å; K48-L122 PolarHBondContact O-N 3.38Å
49C95Very high88.6Confident49 Ų4965.8 Ų65.833%0.33133%0.329SS..EExtended strand (participates in β ladder)trans-120.3139.3-179.2-63.30000110.5Q119 I120 C121C49-Q119 HydrophobicContact CB-CG 3.88Å; C49-I120 CarbonylContact C-O 3.6Å; C49-I120 WeakPolarHBondContact CA-O 3.48Å; C49-C121 HydrophobicContact CB-CB 4.11Å; C49-C121 WeakPolarHBondContact CB-SG 3.28Å; C49-C121 WeakPolarHBondContact SG-CB 3.46Å; C49-C121 CovalentContact SG-SG 2.04Å; C49-C121 PolarHBondContact SG-SG 3.27Å
50F94.8Very high88.7Confident65 Ų6561.4 Ų61.429%0.28531%0.312SS..EExtended strand (participates in β ladder)trans-116.4130.6176-60-89.4000107.5F40 K48 I120 L122 L141F40-F50 AromaticContact CD1-CZ 3.8Å; F40-F50 HydrophobicContact CD1-CZ 3.8Å; F40-F50 HydrophobicContact CD2-CZ 4.28Å; F40-F50 AromaticContact CE1-CE2 3.88Å; F40-F50 HydrophobicContact CE1-CE2 3.88Å; F40-F50 AromaticContact CE1-CZ 3.52Å; F40-F50 HydrophobicContact CE1-CZ 3.52Å; F40-F50 HydrophobicContact CE2-CE2 4.03Å; F40-F50 AromaticContact CE2-CZ 3.98Å; F40-F50 HydrophobicContact CE2-CZ 3.98Å; F40-F50 HydrophobicContact CG-CZ 4.18Å; F40-F50 AromaticContact CZ-CE2 3.57Å; F40-F50 HydrophobicContact CZ-CE2 3.57Å; F40-F50 AromaticContact CZ-CZ 3.61Å; F40-F50 HydrophobicContact CZ-CZ 3.61Å; K48-F50 HydrophobicContact CB-CE2 4.38Å; F50-I120 PolarHBondContact N-O 2.92Å; F50-I120 PolarHBondContact O-N 2.94Å; F50-L122 HydrophobicContact CD2-CD1 4.25Å; F50-L122 HydrophobicContact CE2-CD1 4.27Å; F50-L141 HydrophobicContact CD2-CD2 3.59Å; F50-L141 HydrophobicContact CE2-CD2 3.62Å; F50-L141 HydrophobicContact CG-CD2 4.16Å; F50-L141 HydrophobicContact CZ-CD2 4.19Å
51I94.8Very high88.9Confident106 Ų10661 Ų6154%0.54431%0.31SS..EExtended strand (participates in β ladder)trans-102.6122.2178.9-59.5168.7000106.6E117 H118 Q119I51-E117 HydrophobicContact CG2-CB 3.81Å; I51-E117 HydrophobicContact CG2-CG 4.06Å; I51-H118 WeakPolarHBondContact CA-O 3.34Å; I51-Q119 HydrophobicContact CG1-CG 4.36Å
52E92.1Very high89Confident84 Ų8457.9 Ų57.939%0.39330%0.296SS..EExtended strand (participates in β ladder)trans-122.2133.2179.1-166.164.9-155.200108.8I54 H118 I120E52-I54 HydrophobicContact CB-CD1 4.38Å; E52-I54 HydrophobicContact CB-CG1 4.16Å; E52-I54 HydrophobicContact CG-CG1 4.04Å; E52-H118 PolarHBondContact N-O 2.9Å; E52-H118 PolarHBondContact O-N 3.01Å; E52-I120 HydrophobicContact CB-CD1 4.46Å
53E89.6Confident89.2Confident106 Ų10660.3 Ų60.350%0.49531%0.309SS..EExtended strand (participates in β ladder)trans-88.2113.1176.2-164.7175.2170.900109.3Y184E53-Y184 WeakPolarHBondContact OE1-CE2 3.42Å; E53-Y184 PolarHBondContact OE1-OH 3.12Å; E53-Y184 PolarHBondContact OE2-OH 3.07Å; E53-Y184 VanDerWaalsContact OE2-OH 3.07Å
54I90.3Very high89.7Confident2 Ų259.8 Ų59.81%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-118.3133.5-169-49.1179.4000109.7E52 T58 I60 F110 P115 G116 H118 V145E52-I54 HydrophobicContact CB-CD1 4.38Å; E52-I54 HydrophobicContact CB-CG1 4.16Å; E52-I54 HydrophobicContact CG-CG1 4.04Å; I54-T58 HydrophobicContact CG2-CG2 4.39Å; I54-I60 HydrophobicContact CD1-CD1 3.94Å; I54-I60 HydrophobicContact CD1-CG1 4.03Å; I54-I60 HydrophobicContact CG2-CD1 3.66Å; I54-I60 HydrophobicContact CG2-CG1 4.2Å; I54-F110 HydrophobicContact CD1-CE2 3.99Å; I54-F110 HydrophobicContact CD1-CZ 3.85Å; I54-P115 WeakPolarHBondContact O-CA 3.28Å; I54-G116 PolarHBondContact N-O 3.3Å; I54-G116 PolarHBondContact O-N 3.49Å; I54-H118 HydrophobicContact CD1-CB 3.61Å; I54-H118 HydrophobicContact CG1-CB 4.19Å; I54-V145 HydrophobicContact CG2-CG1 4.42Å
55P87.8Confident90.3Very high49 Ų4961.1 Ų61.132%0.31830%0.303SS..  trans-65.6172172.6-13.827.2000112.8S112P55-S112 WeakPolarHBondContact O-CB 3.25Å; P55-S112 PolarHBondContact O-OG 2.8Å
56D85.7Confident90.9Very high74 Ų7455.5 Ų55.540%0.39627%0.269SS..THydrogen-bonded Turntrans-71.4147.7172.264.9-51000112T58 P115 K180D56-T58 VanDerWaalsContact C-N 3.28Å; D56-T58 PolarHBondContact O-N 2.69Å; D56-T58 PolarHBondContact O-OG1 3.49Å; D56-P115 HydrophobicContact CB-CB 4.26Å; D56-P115 HydrophobicContact CB-CG 4.32Å; D56-K180 PolarHBondContact O-NZ 2.96Å
57E85.3Confident91Very high108 Ų10854 Ų5451%0.50526%0.262SS..THydrogen-bonded Turntrans50.746.5176.1-62.6-60.8145.100112.9S112 H113 K180E57-S112 WeakPolarHBondContact CA-O 3.12Å; E57-S112 PolarHBondContact N-O 2.66Å; E57-H113 IonicContact OE1-CE1 3.29Å; E57-H113 IonicContact OE1-CG 3.5Å; E57-H113 IonicContact OE1-ND1 3.9Å; E57-H113 PolarHBondContact OE1-ND1 3.15Å; E57-H113 IonicContact OE2-ND1 2.69Å; E57-K180 PolarHBondContact O-NZ 2.96Å
58T85.5Confident90.7Very high15 Ų1551 Ų519%0.09225%0.25CC..EExtended strand (participates in β ladder)trans-116.4131.7-179.5-59.10000109.7I54 D56 I60 T111 S112 V145I54-T58 HydrophobicContact CG2-CG2 4.39Å; D56-T58 VanDerWaalsContact C-N 3.28Å; D56-T58 PolarHBondContact O-N 2.69Å; D56-T58 PolarHBondContact O-OG1 3.49Å; T58-I60 WeakPolarHBondContact O-CD1 3.21Å; T58-T111 WeakPolarHBondContact O-CA 3.49Å; T58-S112 PolarHBondContact O-N 2.87Å; T58-V145 HydrophobicContact CG2-CG1 3.67Å
59M89.6Confident90.1Very high79 Ų7951.1 Ų51.139%0.38925%0.249SC..EExtended strand (participates in β ladder)trans-85.7140.1175.4-173.3-178.8-62.900110.5T109 G146M59-T109 HydrophobicContact CG-CG2 3.92Å; M59-T109 HydrophobicContact SD-CG2 4Å; M59-G146 PolarHBondContact O-N 3.39Å
60I92.9Very high89.4Confident0 Ų050.9 Ų50.90%024%0.244CC..EExtended strand (participates in β ladder)trans-128.1133.6-179.9-57.793.7000109.2I54 T58 T109 F110 I143 Q144 V145I54-I60 HydrophobicContact CD1-CD1 3.94Å; I54-I60 HydrophobicContact CD1-CG1 4.03Å; I54-I60 HydrophobicContact CG2-CD1 3.66Å; I54-I60 HydrophobicContact CG2-CG1 4.2Å; T58-I60 WeakPolarHBondContact O-CD1 3.21Å; I60-T109 VanDerWaalsContact O-CA 3.25Å; I60-T109 WeakPolarHBondContact O-CA 3.28Å; I60-T109 WeakPolarHBondContact O-CG2 3.37Å; I60-F110 HydrophobicContact CB-CD1 4.17Å; I60-F110 HydrophobicContact CB-CE1 3.72Å; I60-F110 HydrophobicContact CB-CE2 4.2Å; I60-F110 HydrophobicContact CB-CZ 3.74Å; I60-F110 HydrophobicContact CD1-CD2 4.04Å; I60-F110 HydrophobicContact CD1-CE2 3.58Å; I60-F110 HydrophobicContact CD1-CZ 3.92Å; I60-F110 HydrophobicContact CG1-CE2 4.21Å; I60-F110 HydrophobicContact CG1-CZ 4.02Å; I60-F110 HydrophobicContact CG2-CD1 4.44Å; I60-F110 HydrophobicContact CG2-CE1 3.67Å; I60-F110 HydrophobicContact CG2-CZ 3.87Å; I60-F110 PolarHBondContact N-O 2.99Å; I60-F110 PolarHBondContact O-N 3.4Å; I60-I143 HydrophobicContact CG2-CG2 3.7Å; I60-Q144 WeakPolarHBondContact CA-O 3.36Å; I60-V145 HydrophobicContact CG1-CG1 4.21Å; I60-V145 HydrophobicContact CG1-CG2 4.27Å; I60-V145 HydrophobicContact CG2-CG2 4.37Å
61I93.1Very high88.5Confident20 Ų2054.7 Ų54.710%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-119.5122.7174.4-62.1175.1000108.1R107 F108 T109 Q144 A149I61-R107 HydrophobicContact CG2-CG 3.81Å; I61-F108 WeakPolarHBondContact CA-O 3.28Å; I61-T109 HydrophobicContact CG1-CG2 3.93Å; I61-Q144 PolarHBondContact N-O 2.85Å; I61-Q144 PolarHBondContact O-N 3.3Å; I61-A149 HydrophobicContact CB-CB 4.29Å; I61-A149 HydrophobicContact CD1-CB 3.67Å; I61-A149 WeakPolarHBondContact CD1-O 3.24Å; I61-A149 HydrophobicContact CG1-CB 3.78Å
62G93.5Very high87.7Confident0 Ų058.5 Ų58.50%028%0.276CS..EExtended strand (participates in β ladder)trans-110.6125.9172.400000111.1R107 F108 D142G62-R107 CarbonylContact O-C 3.55Å; G62-R107 WeakPolarHBondContact O-CA 3.46Å; G62-F108 PolarHBondContact N-O 2.83Å; G62-F108 WeakPolarHBondContact O-CD1 3.36Å; G62-F108 PolarHBondContact O-N 2.92Å; G62-D142 CarbonylContact C-O 3.53Å; G62-D142 VanDerWaalsContact CA-O 3.29Å; G62-D142 WeakPolarHBondContact CA-O 3.49Å
63N93.7Very high87.1Confident51 Ų5161.1 Ų61.127%0.27329%0.286SS..EExtended strand (participates in β ladder)trans-107.2133.8170.8-59.3-62.4000108.7R107 D142N63-R107 WeakPolarHBondContact OD1-CB 3.27Å; N63-R107 WeakPolarHBondContact OD1-CD 3.05Å; N63-R107 WeakPolarHBondContact OD1-CG 3.36Å; N63-D142 HydrophobicContact CB-CB 4.45Å; N63-D142 PolarHBondContact N-O 3.4Å; N63-D142 PolarHBondContact O-N 2.89Å
64Y92.9Very high86.6Confident5 Ų563.4 Ų63.42%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-135.9147.9172.480-86.4000111.4T66 M85 V87 Y102 G103 E105 G106 F108 L122 H140Y64-T66 HydrophobicContact CD2-CG2 3.89Å; Y64-T66 HydrophobicContact CE2-CG2 3.9Å; Y64-M85 HydrophobicContact CD2-CG 4.42Å; Y64-M85 HydrophobicContact CE2-CB 3.65Å; Y64-M85 HydrophobicContact CE2-CG 3.91Å; Y64-V87 HydrophobicContact CD1-CG2 4.35Å; Y64-V87 HydrophobicContact CE1-CG2 4.02Å; Y64-Y102 HydrophobicContact CE1-CG 4.39Å; Y64-Y102 WeakPolarHBondContact OH-CB 3.46Å; Y64-G103 PolarHBondContact OH-O 2.99Å; Y64-E105 WeakPolarHBondContact O-CA 3.37Å; Y64-E105 WeakPolarHBondContact O-CG 3.3Å; Y64-G106 WeakPolarHBondContact CD1-O 3.38Å; Y64-G106 PolarHBondContact N-O 2.81Å; Y64-G106 PolarHBondContact O-N 2.04Å; Y64-F108 HydrophobicContact CD1-CD1 4.29Å; Y64-F108 HydrophobicContact CD1-CE1 4.39Å; Y64-L122 HydrophobicContact CD1-CD2 4.31Å; Y64-L122 HydrophobicContact CD2-CD2 4.37Å; Y64-L122 HydrophobicContact CG-CD2 3.97Å; Y64-H140 CarbonylContact C-O 3.55Å; Y64-H140 WeakPolarHBondContact CA-O 3.3Å; Y64-H140 WeakPolarHBondContact CB-O 3.27Å
65R91.6Very high86.3Confident119 Ų11968.7 Ų68.745%0.44932%0.322SS..EExtended strand (participates in β ladder)trans-132.3141.6172.260.4174.9-172.7-169.2-1.5110.1E105 V139 H140R65-E105 HydrophobicContact CB-CG 4.25Å; R65-V139 WeakPolarHBondContact O-CA 3.42Å; R65-H140 HydrophobicContact CG-CB 3.65Å; R65-H140 PolarHBondContact N-O 3.42Å; R65-H140 VanDerWaalsContact NE-CG 3.31Å; R65-H140 PolarHBondContact NH2-CE1 2.95Å; R65-H140 PolarHBondContact NH2-ND1 3.45Å; R65-H140 VanDerWaalsContact NH2-ND1 3.1Å; R65-H140 PolarHBondContact O-N 2.98Å
66T89.4Confident85.9Confident7 Ų769.7 Ų69.74%0.04332%0.32CS..EExtended strand (participates in β ladder)trans-114.5140.8-179.766.10000111.3Y64 A79 M85 S104 L137 R138 V139Y64-T66 HydrophobicContact CD2-CG2 3.89Å; Y64-T66 HydrophobicContact CE2-CG2 3.9Å; T66-A79 PolarHBondContact O-N 3.32Å; T66-A79 VanDerWaalsContact O-N 3.15Å; T66-A79 WeakPolarHBondContact OG1-CB 3.48Å; T66-M85 HydrophobicContact CG2-CE 3.82Å; T66-S104 WeakPolarHBondContact CB-O 3.2Å; T66-S104 WeakPolarHBondContact CG2-O 3.47Å; T66-S104 PolarHBondContact N-O 2.91Å; T66-S104 WeakPolarHBondContact OG1-CA 3.31Å; T66-S104 WeakPolarHBondContact OG1-CB 3.45Å; T66-S104 PolarHBondContact OG1-O 2.79Å; T66-L137 HydrophobicContact CG2-CD2 3.86Å; T66-L137 HydrophobicContact CG2-CG 4.43Å; T66-R138 CarbonylContact C-O 3.55Å; T66-R138 WeakPolarHBondContact CA-O 3.33Å; T66-V139 HydrophobicContact CG2-CG1 4.35Å; T66-V139 HydrophobicContact CG2-CG2 3.97Å
67Q88.1Confident85.7Confident39 Ų3968.8 Ų68.818%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-128.3136.2-179.2-63.5179.1-42.900109.8Y76 L77 L137 R138 H140Q67-Y76 HydrophobicContact CB-CD1 4.27Å; Q67-L77 CarbonylContact C-O 3.51Å; Q67-L77 VanDerWaalsContact CA-O 3.29Å; Q67-L77 WeakPolarHBondContact CA-O 3.42Å; Q67-L137 WeakPolarHBondContact O-CD1 3.38Å; Q67-R138 HydrophobicContact CB-CB 4.28Å; Q67-R138 PolarHBondContact N-O 3.49Å; Q67-R138 PolarHBondContact O-N 2.91Å; Q67-H140 PolarHBondContact OE1-NE2 3.36Å
68L84.9Confident85.5Confident22 Ų2268.6 Ų68.612%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-99.9142.2174.5-67.8167.8000109.7Y76 L77 A79 L83 F129 A133 L137L68-Y76 CarbonylContact O-C 3.56Å; L68-Y76 WeakPolarHBondContact O-CA 3.5Å; L68-L77 PolarHBondContact N-O 3.42Å; L68-L77 PolarHBondContact O-N 3.42Å; L68-A79 HydrophobicContact CD1-CB 4.02Å; L68-A79 HydrophobicContact CG-CB 3.9Å; L68-L83 HydrophobicContact CD1-CD1 3.6Å; L68-L83 HydrophobicContact CD2-CD1 3.91Å; L68-L83 HydrophobicContact CG-CD1 4.1Å; L68-F129 HydrophobicContact CD2-CB 3.94Å; L68-A133 HydrophobicContact CB-CB 4.33Å; L68-A133 HydrophobicContact CD2-CB 3.79Å; L68-L137 HydrophobicContact CD2-CD1 3.51Å; L68-L137 HydrophobicContact CG-CD1 4.07Å
69Y81.7Confident85Confident73 Ų7368.2 Ų68.229%0.28632%0.321SS..EExtended strand (participates in β ladder)trans-81.4117.6170.8-172-107000110.1K71 Y76Y69-K71 HydrophobicContact CD1-CG 4.31Å; Y69-K71 HydrophobicContact CE1-CG 4.32Å; Y69-Y76 HydrophobicContact CD2-CD1 4.4Å; Y69-Y76 HydrophobicContact CD2-CD2 4Å; Y69-Y76 HydrophobicContact CD2-CE1 4.1Å; Y69-Y76 AromaticContact CD2-CE2 3.65Å; Y69-Y76 HydrophobicContact CD2-CE2 3.65Å; Y69-Y76 HydrophobicContact CD2-CG 4.37Å; Y69-Y76 AromaticContact CD2-CZ 3.7Å; Y69-Y76 HydrophobicContact CE2-CE2 4.09Å
70D79.4Confident84Confident44 Ų4469.3 Ų69.324%0.23533%0.333CS..EExtended strand (participates in β ladder)trans-91.3112.3173.9-174.2-8.1000109.8Q72 K73 E74 E75 L77D70-Q72 PolarHBondContact O-N 3.03Å; D70-Q72 PolarHBondContact OD1-N 3Å; D70-K73 PolarHBondContact O-N 3.29Å; D70-E74 WeakPolarHBondContact O-CA 3.19Å; D70-E74 PolarHBondContact O-N 3.28Å; D70-E75 PolarHBondContact N-O 3.02Å; D70-L77 HydrophobicContact CB-CD1 3.85Å; D70-L77 HydrophobicContact CB-CG 4.29Å; D70-L77 WeakPolarHBondContact OD2-CD1 3.19Å
71K76.7Confident82.5Confident145 Ų14578.8 Ų78.863%0.6338%0.377SS*.THydrogen-bonded Turntrans-63.9-24.1179.1-69-175.6179.5179.40113.4Y69Y69-K71 HydrophobicContact CD1-CG 4.31Å; Y69-K71 HydrophobicContact CE1-CG 4.32Å
72Q78.9Confident81.2Confident186 Ų18680.6 Ų80.687%0.86940%0.4SS*.THydrogen-bonded Turntrans-79.8-29.8-178-64.6-164.6-9.200112.8D70D70-Q72 PolarHBondContact O-N 3.03Å; D70-Q72 PolarHBondContact OD1-N 3Å
73K78.8Confident80.4Confident139 Ų13981.4 Ų81.460%0.60440%0.404SS*.THydrogen-bonded Turntrans-107.1-6.5-178-68-178.2178.9178.60113.6D70 E75 L77D70-K73 PolarHBondContact O-N 3.29Å; K73-E75 HydrophobicContact CB-CB 4.28Å; K73-E75 PolarHBondContact O-N 3.49Å; K73-L77 HydrophobicContact CD-CD1 4.37Å
74E79.8Confident79.9Confident155 Ų15579.4 Ų79.472%0.72440%0.396SS*.THydrogen-bonded Turntrans52.432.5-172.6-59.6-171.6148.400112.6D70D70-E74 WeakPolarHBondContact O-CA 3.19Å; D70-E74 PolarHBondContact O-N 3.28Å
75E82.4Confident79.7Confident113 Ų11379.3 Ų79.353%0.52840%0.396SS..EExtended strand (participates in β ladder)trans-130.3151.1-173.5-168.7176.6-168.900111.7D70 K73D70-E75 PolarHBondContact N-O 3.02Å; K73-E75 HydrophobicContact CB-CB 4.28Å; K73-E75 PolarHBondContact O-N 3.49Å
76Y79.9Confident79.7Confident70 Ų7075.9 Ų75.928%0.27538%0.384SS..EExtended strand (participates in β ladder)trans-85.4108.3172.7-73.9-92000110.6Q67 L68 Y69 R138Q67-Y76 HydrophobicContact CB-CD1 4.27Å; L68-Y76 CarbonylContact O-C 3.56Å; L68-Y76 WeakPolarHBondContact O-CA 3.5Å; Y69-Y76 HydrophobicContact CD2-CD1 4.4Å; Y69-Y76 HydrophobicContact CD2-CD2 4Å; Y69-Y76 HydrophobicContact CD2-CE1 4.1Å; Y69-Y76 AromaticContact CD2-CE2 3.65Å; Y69-Y76 HydrophobicContact CD2-CE2 3.65Å; Y69-Y76 HydrophobicContact CD2-CG 4.37Å; Y69-Y76 AromaticContact CD2-CZ 3.7Å; Y69-Y76 HydrophobicContact CE2-CE2 4.09Å; Y76-R138 HydrophobicContact CD1-CB 3.91Å; Y76-R138 VanDerWaalsContact CD2-NH1 3.29Å; Y76-R138 HydrophobicContact CE1-CB 3.79Å; Y76-R138 HydrophobicContact CE1-CG 4.48Å; Y76-R138 VanDerWaalsContact CE2-CZ 3.42Å; Y76-R138 PolarHBondContact OH-NH2 3.39Å
77L80.7Confident80Confident55 Ų5575.6 Ų75.629%0.28838%0.382SS..EExtended strand (participates in β ladder)trans-97.9150.9178-62.4178000110.9Q67 L68 D70 K73 A79Q67-L77 CarbonylContact C-O 3.51Å; Q67-L77 VanDerWaalsContact CA-O 3.29Å; Q67-L77 WeakPolarHBondContact CA-O 3.42Å; L68-L77 PolarHBondContact N-O 3.42Å; L68-L77 PolarHBondContact O-N 3.42Å; D70-L77 HydrophobicContact CB-CD1 3.85Å; D70-L77 HydrophobicContact CB-CG 4.29Å; D70-L77 WeakPolarHBondContact OD2-CD1 3.19Å; K73-L77 HydrophobicContact CD-CD1 4.37Å; L77-A79 PolarHBondContact O-N 3.24Å
78P81.4Confident80.4Confident103 Ų10375.2 Ų75.267%0.66938%0.381SS*.EExtended strand (participates in β ladder)trans-58.6135.4173.724.9-33.2000110.2T80P78-T80 PolarHBondContact O-N 2.97Å
79A75.3Confident81Confident7 Ų774.2 Ų74.26%0.05838%0.375CS..PPolyproline II helixtrans-64.5133.1-178.700000111.1T66 L68 L77 L83 S104T66-A79 PolarHBondContact O-N 3.32Å; T66-A79 VanDerWaalsContact O-N 3.15Å; T66-A79 WeakPolarHBondContact OG1-CB 3.48Å; L68-A79 HydrophobicContact CD1-CB 4.02Å; L68-A79 HydrophobicContact CG-CB 3.9Å; L77-A79 PolarHBondContact O-N 3.24Å; A79-L83 HydrophobicContact CB-CD1 3.99Å; A79-S104 VanDerWaalsContact O-CB 3.26Å; A79-S104 WeakPolarHBondContact O-CB 3.4Å; A79-S104 PolarHBondContact O-OG 2.85Å
80T69.6Low81.7Confident103 Ų10372.8 Ų72.863%0.63237%0.37SS*.PPolyproline II helixtrans-64.5154.7-177.725.10000113P78 G82 L83P78-T80 PolarHBondContact O-N 2.97Å; T80-G82 PolarHBondContact O-N 2.7Å; T80-L83 PolarHBondContact O-N 3.3Å
81Q61.4Low82.4Confident199 Ų19971.5 Ų71.593%0.9336%0.363SS*.THydrogen-bonded Turntrans-60.3107.7175.2-67.4-179.610.600109.7
82G65.3Low83.3Confident57 Ų5766.9 Ų66.959%0.58835%0.349SS*.THydrogen-bonded Turntrans143.9-15-177.700000114.7T80T80-G82 PolarHBondContact O-N 2.7Å
83L76.7Confident84.1Confident18 Ų1863.8 Ų63.89%0.09434%0.338CS..  trans-90.5118165.7-72.7162.7000108.9L68 A79 T80 G103 S104 K128 F129L68-L83 HydrophobicContact CD1-CD1 3.6Å; L68-L83 HydrophobicContact CD2-CD1 3.91Å; L68-L83 HydrophobicContact CG-CD1 4.1Å; A79-L83 HydrophobicContact CB-CD1 3.99Å; T80-L83 PolarHBondContact O-N 3.3Å; L83-G103 CarbonylContact O-C 3.55Å; L83-G103 VanDerWaalsContact O-C 3.27Å; L83-S104 PolarHBondContact O-N 3.2Å; L83-S104 VanDerWaalsContact O-N 3.16Å; L83-K128 HydrophobicContact CD2-CB 4.23Å; L83-F129 HydrophobicContact CD1-CB 4.45Å; L83-F129 HydrophobicContact CD2-CB 3.95Å
84G82.2Confident84.8Confident9 Ų962.4 Ų62.49%0.09334%0.337CS..  trans-104140.4175.700000111.6Y102G84-Y102 CarbonylContact C-O 3.48Å; G84-Y102 WeakPolarHBondContact CA-O 3.38Å
85M88.9Confident85.5Confident3 Ų361.8 Ų61.82%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-106.3128.3173.4-172.861.464.500109.1I42 Y64 T66 Y102 L122 H123 L137 V139I42-M85 HydrophobicContact CD1-CE 4.07Å; I42-M85 HydrophobicContact CD1-SD 4.28Å; Y64-M85 HydrophobicContact CD2-CG 4.42Å; Y64-M85 HydrophobicContact CE2-CB 3.65Å; Y64-M85 HydrophobicContact CE2-CG 3.91Å; T66-M85 HydrophobicContact CG2-CE 3.82Å; M85-Y102 PolarHBondContact N-O 3.17Å; M85-Y102 PolarHBondContact O-N 2.97Å; M85-L122 HydrophobicContact CG-CB 4.31Å; M85-L122 HydrophobicContact CG-CD2 4.25Å; M85-L122 HydrophobicContact SD-CB 4.04Å; M85-H123 PolarHBondContact SD-N 3.34Å; M85-L137 HydrophobicContact CE-CD2 3.48Å; M85-L137 VanDerWaalsContact CE-CD2 3.48Å; M85-V139 HydrophobicContact CE-CG2 4.2Å
86F92.8Very high86.1Confident46 Ų4659.8 Ų59.820%0.20233%0.327CS..EExtended strand (participates in β ladder)trans-87.7126.7170.9-80.1-95.3000109.5Q101 L122 H123 N125F86-Q101 HydrophobicContact CD1-CB 3.86Å; F86-Q101 HydrophobicContact CD1-CG 4.29Å; F86-Q101 HydrophobicContact CD2-CB 4.35Å; F86-Q101 HydrophobicContact CD2-CG 3.87Å; F86-Q101 HydrophobicContact CE1-CB 3.62Å; F86-Q101 HydrophobicContact CE1-CG 4.09Å; F86-Q101 HydrophobicContact CE2-CB 4.13Å; F86-Q101 HydrophobicContact CE2-CG 3.63Å; F86-Q101 VanDerWaalsContact CE2-OE1 3.32Å; F86-Q101 HydrophobicContact CG-CB 4.23Å; F86-Q101 HydrophobicContact CG-CG 4.2Å; F86-Q101 HydrophobicContact CZ-CB 3.77Å; F86-Q101 HydrophobicContact CZ-CG 3.75Å; F86-L122 WeakPolarHBondContact O-CA 3.37Å; F86-H123 WeakPolarHBondContact CB-CE1 3.08Å; F86-H123 WeakPolarHBondContact CB-NE2 3.28Å; F86-H123 WeakPolarHBondContact CB-O 3.42Å; F86-H123 AromaticContact CG-NE2 3.95Å; F86-H123 PolarHBondContact N-O 3.33Å; F86-H123 PolarHBondContact O-N 2.96Å; F86-H123 PolarHBondContact O-ND1 3.41Å; F86-N125 HydrophobicContact CD2-CB 4.1Å; F86-N125 HydrophobicContact CE2-CB 3.88Å
87V95.4Very high86.8Confident1 Ų159.3 Ų59.31%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-110.6122.5173-1780000107.9Y64 V89 S99 R100 Y102 F108 C121 L122Y64-V87 HydrophobicContact CD1-CG2 4.35Å; Y64-V87 HydrophobicContact CE1-CG2 4.02Å; V87-V89 HydrophobicContact CG1-CG2 4.41Å; V87-S99 WeakPolarHBondContact O-CA 3.36Å; V87-R100 PolarHBondContact N-O 2.82Å; V87-R100 PolarHBondContact O-N 2.92Å; V87-Y102 HydrophobicContact CB-CD2 4.03Å; V87-Y102 HydrophobicContact CB-CE2 3.96Å; V87-Y102 HydrophobicContact CG2-CD2 3.78Å; V87-Y102 HydrophobicContact CG2-CE2 4.12Å; V87-F108 HydrophobicContact CG1-CD1 3.87Å; V87-F108 HydrophobicContact CG1-CD2 4.11Å; V87-F108 HydrophobicContact CG1-CE1 3.99Å; V87-F108 HydrophobicContact CG1-CE2 4.22Å; V87-F108 HydrophobicContact CG1-CG 3.92Å; V87-F108 HydrophobicContact CG1-CZ 4.15Å; V87-F108 HydrophobicContact CG2-CD1 4.17Å; V87-F108 HydrophobicContact CG2-CE1 4.45Å; V87-C121 WeakPolarHBondContact CA-O 3.42Å; V87-L122 HydrophobicContact CG2-CD2 4.39Å; V87-L122 HydrophobicContact CG2-CG 4.34Å
88E96.3Very high87.5Confident32 Ų3257.4 Ų57.415%0.1532%0.319CS..EExtended strand (participates in β ladder)trans-123.8130.8177.3-173.3-170144.100108.5K47 K90 V96 L98 C121K47-E88 IonicContact NZ-OE1 3.62Å; K47-E88 PolarHBondContact NZ-OE1 3.47Å; K47-E88 IonicContact NZ-OE2 3.54Å; K47-E88 PolarHBondContact NZ-OE2 2.9Å; E88-K90 WeakPolarHBondContact OE1-CE 3.37Å; E88-V96 HydrophobicContact CG-CG1 4.21Å; E88-L98 CarbonylContact C-O 3.56Å; E88-L98 VanDerWaalsContact CA-O 3.27Å; E88-L98 WeakPolarHBondContact CA-O 3.38Å; E88-C121 PolarHBondContact N-O 2.95Å; E88-C121 PolarHBondContact O-N 3.23Å
89V96.9Very high88.2Confident0 Ų056 Ų560%031%0.312CS..EExtended strand (participates in β ladder)trans-123132.2176.3-170.40000108.8V87 V96 I97 L98 F110 Q119 I120V87-V89 HydrophobicContact CG1-CG2 4.41Å; V89-V96 WeakPolarHBondContact O-CA 2.81Å; V89-I97 HydrophobicContact CB-CD1 4.22Å; V89-I97 HydrophobicContact CB-CG1 3.78Å; V89-I97 HydrophobicContact CG1-CD1 3.6Å; V89-I97 HydrophobicContact CG1-CG1 3.7Å; V89-I97 WeakPolarHBondContact O-CG1 3.38Å; V89-I97 PolarHBondContact O-N 3.37Å; V89-L98 HydrophobicContact CB-CB 4.03Å; V89-L98 HydrophobicContact CG2-CB 4.06Å; V89-L98 HydrophobicContact CG2-CD2 4.13Å; V89-L98 PolarHBondContact N-O 2.94Å; V89-L98 PolarHBondContact O-N 3.2Å; V89-F110 HydrophobicContact CG1-CD1 4.29Å; V89-F110 HydrophobicContact CG1-CD2 4.31Å; V89-F110 HydrophobicContact CG1-CE1 3.93Å; V89-F110 HydrophobicContact CG1-CE2 3.92Å; V89-F110 HydrophobicContact CG1-CG 4.47Å; V89-F110 HydrophobicContact CG1-CZ 3.72Å; V89-F110 HydrophobicContact CG2-CD1 4.09Å; V89-F110 HydrophobicContact CG2-CE1 4.06Å; V89-Q119 CarbonylContact C-O 3.56Å; V89-Q119 VanDerWaalsContact CA-O 3.27Å; V89-Q119 WeakPolarHBondContact CA-O 3.38Å; V89-I120 HydrophobicContact CG1-CG1 3.95Å; V89-I120 HydrophobicContact CG2-CG1 4.22Å; V89-I120 HydrophobicContact CG2-CG2 4.35Å
90K96.6Very high89.1Confident43 Ų4363.2 Ų63.219%0.18734%0.338CS..EExtended strand (participates in β ladder)trans-116.5147.6173.9-62.7-179.2172.8-170.70111.2E88 D94 K95 V96 H118 Q119E88-K90 WeakPolarHBondContact OE1-CE 3.37Å; K90-D94 IonicContact NZ-OD1 3.69Å; K90-K95 CarbonylContact C-O 3.45Å; K90-K95 VanDerWaalsContact CA-O 3.28Å; K90-K95 WeakPolarHBondContact CA-O 3.27Å; K90-V96 HydrophobicContact CG-CG2 4.14Å; K90-H118 CarbonylContact O-C 3.27Å; K90-H118 VanDerWaalsContact O-CA 3.3Å; K90-H118 WeakPolarHBondContact O-CA 3.37Å; K90-Q119 HydrophobicContact CB-CB 4.3Å; K90-Q119 PolarHBondContact N-O 2.95Å; K90-Q119 PolarHBondContact O-N 2.63Å
91D95Very high90.1Very high17 Ų1763.6 Ų63.69%0.09133%0.332CS..  trans-82177.6171.1780.1000111.6D93 D94 K95 I97D91-D93 PolarHBondContact O-N 3.15Å; D91-D93 VanDerWaalsContact OD1-C 3.29Å; D91-D93 WeakPolarHBondContact OD1-CA 3.47Å; D91-D93 PolarHBondContact OD1-N 3.3Å; D91-D94 PolarHBondContact O-N 2.92Å; D91-D94 VanDerWaalsContact O-N 3.12Å; D91-D94 PolarHBondContact OD1-N 3.15Å; D91-K95 PolarHBondContact N-O 2.83Å; D91-K95 WeakPolarHBondContact OD1-CA 3.29Å; D91-K95 WeakPolarHBondContact OD1-CB 3.46Å; D91-K95 PolarHBondContact OD1-N 3.11Å; D91-K95 WeakPolarHBondContact OD2-CB 3.37Å; D91-I97 HydrophobicContact CB-CG2 3.99Å
92P95.1Very high91.5Very high49 Ų4956.4 Ų56.432%0.31830%0.297SS..THydrogen-bonded Turntrans-63.6-17.9178.7-21.533.4000114.6D94 T114 E117P92-D94 VanDerWaalsContact C-N 3.3Å; P92-T114 HydrophobicContact CG-CG2 4.47Å; P92-E117 VanDerWaalsContact CA-O 3.27Å; P92-E117 WeakPolarHBondContact CA-O 3.45Å; P92-E117 WeakPolarHBondContact CG-O 3.39Å
93D94.8Very high92.7Very high120 Ų12055.5 Ų55.564%0.64229%0.287SS*.THydrogen-bonded Turntrans-95.117178.1-63.5-48.1000111.8D91 K95D91-D93 PolarHBondContact O-N 3.15Å; D91-D93 VanDerWaalsContact OD1-C 3.29Å; D91-D93 WeakPolarHBondContact OD1-CA 3.47Å; D91-D93 PolarHBondContact OD1-N 3.3Å; D93-K95 PolarHBondContact O-N 3.26Å; D93-K95 VanDerWaalsContact O-N 3.15Å
94D94.1Very high93.1Very high111 Ų11155.8 Ų55.859%0.59429%0.291SS*.SBendtrans63.112.3-178.4-97.9-47.3000114.9K90 D91 P92K90-D94 IonicContact NZ-OD1 3.69Å; D91-D94 PolarHBondContact O-N 2.92Å; D91-D94 VanDerWaalsContact O-N 3.12Å; D91-D94 PolarHBondContact OD1-N 3.15Å; P92-D94 VanDerWaalsContact C-N 3.3Å
95K95Very high93.5Very high142 Ų14262.5 Ų62.562%0.61732%0.32SS*.  trans-81.8130.4178.8-179.6-172.4174.3-171.70110.1K90 D91 D93 I97K90-K95 CarbonylContact C-O 3.45Å; K90-K95 VanDerWaalsContact CA-O 3.28Å; K90-K95 WeakPolarHBondContact CA-O 3.27Å; D91-K95 PolarHBondContact N-O 2.83Å; D91-K95 WeakPolarHBondContact OD1-CA 3.29Å; D91-K95 WeakPolarHBondContact OD1-CB 3.46Å; D91-K95 PolarHBondContact OD1-N 3.11Å; D91-K95 WeakPolarHBondContact OD2-CB 3.37Å; D93-K95 PolarHBondContact O-N 3.26Å; D93-K95 VanDerWaalsContact O-N 3.15Å; K95-I97 PolarHBondContact O-N 3.14Å
96V95.6Very high93.6Very high71 Ų7163 Ų6343%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-72.4113.4177.7-178.60000109.9E88 V89 K90E88-V96 HydrophobicContact CG-CG1 4.21Å; V89-V96 WeakPolarHBondContact O-CA 2.81Å; K90-V96 HydrophobicContact CG-CG2 4.14Å
97I94.6Very high93.6Very high59 Ų5968.7 Ų68.730%0.30335%0.346SS..EExtended strand (participates in β ladder)trans-93.6-29.3178.260.5175.9000112.4V89 D91 K95 F110V89-I97 HydrophobicContact CB-CD1 4.22Å; V89-I97 HydrophobicContact CB-CG1 3.78Å; V89-I97 HydrophobicContact CG1-CD1 3.6Å; V89-I97 HydrophobicContact CG1-CG1 3.7Å; V89-I97 WeakPolarHBondContact O-CG1 3.38Å; V89-I97 PolarHBondContact O-N 3.37Å; D91-I97 HydrophobicContact CB-CG2 3.99Å; K95-I97 PolarHBondContact O-N 3.14Å; I97-F110 HydrophobicContact CD1-CD2 3.33Å; I97-F110 HydrophobicContact CD1-CE2 3.67Å; I97-F110 HydrophobicContact CD1-CG 4.09Å; I97-F110 HydrophobicContact CG1-CD2 4.41Å
98L94.8Very high93.6Very high16 Ų1668.7 Ų68.78%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-141.1132.3175.7-177.270.6000109.1E88 V89 R100 F108E88-L98 CarbonylContact C-O 3.56Å; E88-L98 VanDerWaalsContact CA-O 3.27Å; E88-L98 WeakPolarHBondContact CA-O 3.38Å; V89-L98 HydrophobicContact CB-CB 4.03Å; V89-L98 HydrophobicContact CG2-CB 4.06Å; V89-L98 HydrophobicContact CG2-CD2 4.13Å; V89-L98 PolarHBondContact N-O 2.94Å; V89-L98 PolarHBondContact O-N 3.2Å; L98-R100 HydrophobicContact CD1-CG 4.07Å; L98-F108 HydrophobicContact CD2-CB 3.94Å; L98-F108 HydrophobicContact CD2-CD2 4.19Å; L98-F108 HydrophobicContact CD2-CG 4.44Å
99S95.7Very high93.4Very high74 Ų7470.3 Ų70.352%0.51736%0.358SS..EExtended strand (participates in β ladder)trans-147.1106.2168.5-178.50000108.6V87V87-S99 WeakPolarHBondContact O-CA 3.36Å
100R93.7Very high93.3Very high158 Ų15871 Ų7160%0.59636%0.361SS*.EExtended strand (participates in β ladder)trans-147.2147-176.7-67.5-171.2-177.3175.71.5111.3V87 L98 Y102V87-R100 PolarHBondContact N-O 2.82Å; V87-R100 PolarHBondContact O-N 2.92Å; L98-R100 HydrophobicContact CD1-CG 4.07Å; R100-Y102 HydrophobicContact CB-CD2 4.36Å; R100-Y102 HydrophobicContact CB-CE2 3.69Å
101Q91.6Very high93Very high111 Ų11171.4 Ų71.452%0.51937%0.367SS..EExtended strand (participates in β ladder)trans-91.5131.7170.4-166.9176.5-600109.9F86F86-Q101 HydrophobicContact CD1-CB 3.86Å; F86-Q101 HydrophobicContact CD1-CG 4.29Å; F86-Q101 HydrophobicContact CD2-CB 4.35Å; F86-Q101 HydrophobicContact CD2-CG 3.87Å; F86-Q101 HydrophobicContact CE1-CB 3.62Å; F86-Q101 HydrophobicContact CE1-CG 4.09Å; F86-Q101 HydrophobicContact CE2-CB 4.13Å; F86-Q101 HydrophobicContact CE2-CG 3.63Å; F86-Q101 VanDerWaalsContact CE2-OE1 3.32Å; F86-Q101 HydrophobicContact CG-CB 4.23Å; F86-Q101 HydrophobicContact CG-CG 4.2Å; F86-Q101 HydrophobicContact CZ-CB 3.77Å; F86-Q101 HydrophobicContact CZ-CG 3.75Å
102Y91.1Very high92.8Very high48 Ų4870.6 Ų70.619%0.18836%0.363CS..EExtended strand (participates in β ladder)trans-119.6174.2176.3-65.3-89.4000109.7Y64 G84 M85 V87 R100 F108Y64-Y102 HydrophobicContact CE1-CG 4.39Å; Y64-Y102 WeakPolarHBondContact OH-CB 3.46Å; G84-Y102 CarbonylContact C-O 3.48Å; G84-Y102 WeakPolarHBondContact CA-O 3.38Å; M85-Y102 PolarHBondContact N-O 3.17Å; M85-Y102 PolarHBondContact O-N 2.97Å; V87-Y102 HydrophobicContact CB-CD2 4.03Å; V87-Y102 HydrophobicContact CB-CE2 3.96Å; V87-Y102 HydrophobicContact CG2-CD2 3.78Å; V87-Y102 HydrophobicContact CG2-CE2 4.12Å; R100-Y102 HydrophobicContact CB-CD2 4.36Å; R100-Y102 HydrophobicContact CB-CE2 3.69Å; Y102-F108 HydrophobicContact CE2-CB 4Å; Y102-F108 WeakPolarHBondContact OH-CB 3.34Å
103G89.1Confident92.6Very high37 Ų3774.4 Ų74.438%0.38138%0.376SS..  trans-77.3-154.9179.300000113.8Y64 L83 E105Y64-G103 PolarHBondContact OH-O 2.99Å; L83-G103 CarbonylContact O-C 3.55Å; L83-G103 VanDerWaalsContact O-C 3.27Å; G103-E105 VanDerWaalsContact C-N 3.25Å; G103-E105 PolarHBondContact O-N 2.82Å
104S86.6Confident92.3Very high25 Ų2571 Ų7118%0.17536%0.36CS..SBendtrans-70.6-23.417345.10000113.2T66 A79 L83T66-S104 WeakPolarHBondContact CB-O 3.2Å; T66-S104 WeakPolarHBondContact CG2-O 3.47Å; T66-S104 PolarHBondContact N-O 2.91Å; T66-S104 WeakPolarHBondContact OG1-CA 3.31Å; T66-S104 WeakPolarHBondContact OG1-CB 3.45Å; T66-S104 PolarHBondContact OG1-O 2.79Å; A79-S104 VanDerWaalsContact O-CB 3.26Å; A79-S104 WeakPolarHBondContact O-CB 3.4Å; A79-S104 PolarHBondContact O-OG 2.85Å; L83-S104 PolarHBondContact O-N 3.2Å; L83-S104 VanDerWaalsContact O-N 3.16Å
105E90.1Very high92.1Very high149 Ų14969.7 Ų69.770%0.69636%0.357SS*.EExtended strand (participates in β ladder)trans-132.9140.9172-176.7174.7-179.200107.8Y64 R65 G103Y64-E105 WeakPolarHBondContact O-CA 3.37Å; Y64-E105 WeakPolarHBondContact O-CG 3.3Å; R65-E105 HydrophobicContact CB-CG 4.25Å; G103-E105 VanDerWaalsContact C-N 3.25Å; G103-E105 PolarHBondContact O-N 2.82Å
106G90.6Very high91.9Very high14 Ų1463.7 Ų63.714%0.14434%0.336CS..EExtended strand (participates in β ladder)trans-160.6152.3-176.100000113.3Y64Y64-G106 WeakPolarHBondContact CD1-O 3.38Å; Y64-G106 PolarHBondContact N-O 2.81Å; Y64-G106 PolarHBondContact O-N 2.04Å
107R93.9Very high91.8Very high166 Ų16666.1 Ų66.163%0.62634%0.343SS*.EExtended strand (participates in β ladder)trans-118.4122171.5-178.5169.674.4-174.35.4108.8I61 G62 N63I61-R107 HydrophobicContact CG2-CG 3.81Å; G62-R107 CarbonylContact O-C 3.55Å; G62-R107 WeakPolarHBondContact O-CA 3.46Å; N63-R107 WeakPolarHBondContact OD1-CB 3.27Å; N63-R107 WeakPolarHBondContact OD1-CD 3.05Å; N63-R107 WeakPolarHBondContact OD1-CG 3.36Å
108F93.5Very high91.8Very high0 Ų063.4 Ų63.40%033%0.329CS..EExtended strand (participates in β ladder)trans-113.4148.9175.163-90.9000110.5I61 G62 Y64 V87 L98 Y102 F110 I120 L141I61-F108 WeakPolarHBondContact CA-O 3.28Å; G62-F108 PolarHBondContact N-O 2.83Å; G62-F108 WeakPolarHBondContact O-CD1 3.36Å; G62-F108 PolarHBondContact O-N 2.92Å; Y64-F108 HydrophobicContact CD1-CD1 4.29Å; Y64-F108 HydrophobicContact CD1-CE1 4.39Å; V87-F108 HydrophobicContact CG1-CD1 3.87Å; V87-F108 HydrophobicContact CG1-CD2 4.11Å; V87-F108 HydrophobicContact CG1-CE1 3.99Å; V87-F108 HydrophobicContact CG1-CE2 4.22Å; V87-F108 HydrophobicContact CG1-CG 3.92Å; V87-F108 HydrophobicContact CG1-CZ 4.15Å; V87-F108 HydrophobicContact CG2-CD1 4.17Å; V87-F108 HydrophobicContact CG2-CE1 4.45Å; L98-F108 HydrophobicContact CD2-CB 3.94Å; L98-F108 HydrophobicContact CD2-CD2 4.19Å; L98-F108 HydrophobicContact CD2-CG 4.44Å; Y102-F108 HydrophobicContact CE2-CB 4Å; Y102-F108 WeakPolarHBondContact OH-CB 3.34Å; F108-F110 HydrophobicContact CD2-CD1 4.3Å; F108-F110 HydrophobicContact CE2-CD1 4.45Å; F108-F110 HydrophobicContact CE2-CE1 4.24Å; F108-I120 HydrophobicContact CE2-CG2 4.05Å; F108-I120 HydrophobicContact CZ-CG2 3.81Å; F108-L141 HydrophobicContact CE1-CD1 4.16Å; F108-L141 HydrophobicContact CZ-CD1 4.27Å
109T93.8Very high91.9Very high66 Ų6665.3 Ų65.341%0.40534%0.337SS..EExtended strand (participates in β ladder)trans-139.6136.1-179.2-53.60000109M59 I60 I61M59-T109 HydrophobicContact CG-CG2 3.92Å; M59-T109 HydrophobicContact SD-CG2 4Å; I60-T109 VanDerWaalsContact O-CA 3.25Å; I60-T109 WeakPolarHBondContact O-CA 3.28Å; I60-T109 WeakPolarHBondContact O-CG2 3.37Å; I61-T109 HydrophobicContact CG1-CG2 3.93Å
110F93.2Very high91.9Very high14 Ų1461.8 Ų61.86%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-147164.3173.570.4-86.9000110.4I54 I60 V89 I97 F108 I120I54-F110 HydrophobicContact CD1-CE2 3.99Å; I54-F110 HydrophobicContact CD1-CZ 3.85Å; I60-F110 HydrophobicContact CB-CD1 4.17Å; I60-F110 HydrophobicContact CB-CE1 3.72Å; I60-F110 HydrophobicContact CB-CE2 4.2Å; I60-F110 HydrophobicContact CB-CZ 3.74Å; I60-F110 HydrophobicContact CD1-CD2 4.04Å; I60-F110 HydrophobicContact CD1-CE2 3.58Å; I60-F110 HydrophobicContact CD1-CZ 3.92Å; I60-F110 HydrophobicContact CG1-CE2 4.21Å; I60-F110 HydrophobicContact CG1-CZ 4.02Å; I60-F110 HydrophobicContact CG2-CD1 4.44Å; I60-F110 HydrophobicContact CG2-CE1 3.67Å; I60-F110 HydrophobicContact CG2-CZ 3.87Å; I60-F110 PolarHBondContact N-O 2.99Å; I60-F110 PolarHBondContact O-N 3.4Å; V89-F110 HydrophobicContact CG1-CD1 4.29Å; V89-F110 HydrophobicContact CG1-CD2 4.31Å; V89-F110 HydrophobicContact CG1-CE1 3.93Å; V89-F110 HydrophobicContact CG1-CE2 3.92Å; V89-F110 HydrophobicContact CG1-CG 4.47Å; V89-F110 HydrophobicContact CG1-CZ 3.72Å; V89-F110 HydrophobicContact CG2-CD1 4.09Å; V89-F110 HydrophobicContact CG2-CE1 4.06Å; I97-F110 HydrophobicContact CD1-CD2 3.33Å; I97-F110 HydrophobicContact CD1-CE2 3.67Å; I97-F110 HydrophobicContact CD1-CG 4.09Å; I97-F110 HydrophobicContact CG1-CD2 4.41Å; F108-F110 HydrophobicContact CD2-CD1 4.3Å; F108-F110 HydrophobicContact CE2-CD1 4.45Å; F108-F110 HydrophobicContact CE2-CE1 4.24Å; F110-I120 HydrophobicContact CE1-CD1 4.31Å; F110-I120 HydrophobicContact CE1-CG1 4.35Å; F110-I120 HydrophobicContact CZ-CD1 4.23Å; F110-I120 HydrophobicContact CZ-CG1 4.32Å
111T91.5Very high92Very high53 Ų5354.3 Ų54.333%0.32528%0.284SS..EExtended strand (participates in β ladder)trans-119.3131.8176.4-57.10000108.7T58T58-T111 WeakPolarHBondContact O-CA 3.49Å
112S91.4Very high92.2Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-78.1129.6173.8167.70000109.9P55 E57 T58 T114 H118P55-S112 WeakPolarHBondContact O-CB 3.25Å; P55-S112 PolarHBondContact O-OG 2.8Å; E57-S112 WeakPolarHBondContact CA-O 3.12Å; E57-S112 PolarHBondContact N-O 2.66Å; T58-S112 PolarHBondContact O-N 2.87Å; S112-T114 PolarHBondContact OG-O 2.79Å; S112-H118 PolarHBondContact OG-CE1 3Å; S112-H118 PolarHBondContact OG-NE2 2.88Å
113H89.9Confident92.2Very high128 Ų12848.8 Ų48.859%0.59326%0.26SS*.  trans-106-23.5174.2-68-60.8000113E57E57-H113 IonicContact OE1-CE1 3.29Å; E57-H113 IonicContact OE1-CG 3.5Å; E57-H113 IonicContact OE1-ND1 3.9Å; E57-H113 PolarHBondContact OE1-ND1 3.15Å; E57-H113 IonicContact OE2-ND1 2.69Å
114T88.1Confident92Very high49 Ų4947.1 Ų47.130%0.30124%0.243SC..SBendtrans-119.1126-179-55.30000108.1P92 S112 H118P92-T114 HydrophobicContact CG-CG2 4.47Å; S112-T114 PolarHBondContact OG-O 2.79Å; T114-H118 PolarHBondContact O-CE1 2.85Å
115P90.4Very high91.6Very high83 Ų8351.5 Ų51.554%0.53926%0.264SS..  trans-70.3134.8179.228.9-31.7000110.6I54 D56I54-P115 WeakPolarHBondContact O-CA 3.28Å; D56-P115 HydrophobicContact CB-CB 4.26Å; D56-P115 HydrophobicContact CB-CG 4.32Å
116G89.8Confident90.5Very high17 Ų1745.6 Ų45.618%0.17524%0.239CC..EExtended strand (participates in β ladder)trans146-162.1175.200000114.5I54 H118I54-G116 PolarHBondContact N-O 3.3Å; I54-G116 PolarHBondContact O-N 3.49Å; G116-H118 PolarHBondContact O-N 2.84Å; G116-H118 PolarHBondContact O-ND1 3.45Å
117E94.5Very high89.3Confident122 Ų12248.9 Ų48.957%0.5726%0.26SS*.EExtended strand (participates in β ladder)trans-71.6110.9-178-67.2-177.8-172.800111.9I51 P92I51-E117 HydrophobicContact CG2-CB 3.81Å; I51-E117 HydrophobicContact CG2-CG 4.06Å; P92-E117 VanDerWaalsContact CA-O 3.27Å; P92-E117 WeakPolarHBondContact CA-O 3.45Å; P92-E117 WeakPolarHBondContact CG-O 3.39Å
118H95.3Very high87.8Confident1 Ų147 Ų471%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-98.8138.6171.6-69.970.5000110.2I51 E52 I54 K90 S112 T114 G116I51-H118 WeakPolarHBondContact CA-O 3.34Å; E52-H118 PolarHBondContact N-O 2.9Å; E52-H118 PolarHBondContact O-N 3.01Å; I54-H118 HydrophobicContact CD1-CB 3.61Å; I54-H118 HydrophobicContact CG1-CB 4.19Å; K90-H118 CarbonylContact O-C 3.27Å; K90-H118 VanDerWaalsContact O-CA 3.3Å; K90-H118 WeakPolarHBondContact O-CA 3.37Å; S112-H118 PolarHBondContact OG-CE1 3Å; S112-H118 PolarHBondContact OG-NE2 2.88Å; T114-H118 PolarHBondContact O-CE1 2.85Å; G116-H118 PolarHBondContact O-N 2.84Å; G116-H118 PolarHBondContact O-ND1 3.45Å
119Q96.7Very high86.5Confident57 Ų5747 Ų4727%0.26626%0.257SS..EExtended strand (participates in β ladder)trans-104.5113.8179.5-165-17428.800110.3C49 I51 V89 K90C49-Q119 HydrophobicContact CB-CG 3.88Å; I51-Q119 HydrophobicContact CG1-CG 4.36Å; V89-Q119 CarbonylContact C-O 3.56Å; V89-Q119 VanDerWaalsContact CA-O 3.27Å; V89-Q119 WeakPolarHBondContact CA-O 3.38Å; K90-Q119 HydrophobicContact CB-CB 4.3Å; K90-Q119 PolarHBondContact N-O 2.95Å; K90-Q119 PolarHBondContact O-N 2.63Å
120I96.2Very high84.9Confident0 Ų045.7 Ų45.70%025%0.25CC..EExtended strand (participates in β ladder)trans-104.4112.4178.1-59.2158.2000108.6C49 F50 E52 V89 F108 F110 L122 I143C49-I120 CarbonylContact C-O 3.6Å; C49-I120 WeakPolarHBondContact CA-O 3.48Å; F50-I120 PolarHBondContact N-O 2.92Å; F50-I120 PolarHBondContact O-N 2.94Å; E52-I120 HydrophobicContact CB-CD1 4.46Å; V89-I120 HydrophobicContact CG1-CG1 3.95Å; V89-I120 HydrophobicContact CG2-CG1 4.22Å; V89-I120 HydrophobicContact CG2-CG2 4.35Å; F108-I120 HydrophobicContact CE2-CG2 4.05Å; F108-I120 HydrophobicContact CZ-CG2 3.81Å; F110-I120 HydrophobicContact CE1-CD1 4.31Å; F110-I120 HydrophobicContact CE1-CG1 4.35Å; F110-I120 HydrophobicContact CZ-CD1 4.23Å; F110-I120 HydrophobicContact CZ-CG1 4.32Å; I120-L122 HydrophobicContact CG2-CD1 4.31Å; I120-I143 HydrophobicContact CD1-CD1 3.86Å; I120-I143 HydrophobicContact CD1-CG2 4.45Å
121C95.5Very high83.3Confident0 Ų051.7 Ų51.70%028%0.282CS..EExtended strand (participates in β ladder)trans-117134.3-175.4-58.30000112.8K47 K48 C49 V87 E88K47-C121 HydrophobicContact CD-CB 4.19Å; K47-C121 WeakPolarHBondContact CE-SG 3.41Å; K47-C121 HydrophobicContact CG-CB 4Å; K48-C121 CarbonylContact O-C 3.59Å; K48-C121 VanDerWaalsContact O-CA 3.28Å; K48-C121 WeakPolarHBondContact O-CA 3.38Å; C49-C121 HydrophobicContact CB-CB 4.11Å; C49-C121 WeakPolarHBondContact CB-SG 3.28Å; C49-C121 WeakPolarHBondContact SG-CB 3.46Å; C49-C121 CovalentContact SG-SG 2.04Å; C49-C121 PolarHBondContact SG-SG 3.27Å; V87-C121 WeakPolarHBondContact CA-O 3.42Å; E88-C121 PolarHBondContact N-O 2.95Å; E88-C121 PolarHBondContact O-N 3.23Å
122L94.3Very high81.7Confident0 Ų056.5 Ų56.50%030%0.299CS..EExtended strand (participates in β ladder)trans-116.2132.5173.9-63.590000109.3I42 K48 F50 Y64 M85 F86 V87 I120 V139 L141I42-L122 HydrophobicContact CD1-CB 4.26Å; K48-L122 PolarHBondContact N-O 3.33Å; K48-L122 PolarHBondContact O-N 3.38Å; F50-L122 HydrophobicContact CD2-CD1 4.25Å; F50-L122 HydrophobicContact CE2-CD1 4.27Å; Y64-L122 HydrophobicContact CD1-CD2 4.31Å; Y64-L122 HydrophobicContact CD2-CD2 4.37Å; Y64-L122 HydrophobicContact CG-CD2 3.97Å; M85-L122 HydrophobicContact CG-CB 4.31Å; M85-L122 HydrophobicContact CG-CD2 4.25Å; M85-L122 HydrophobicContact SD-CB 4.04Å; F86-L122 WeakPolarHBondContact O-CA 3.37Å; V87-L122 HydrophobicContact CG2-CD2 4.39Å; V87-L122 HydrophobicContact CG2-CG 4.34Å; I120-L122 HydrophobicContact CG2-CD1 4.31Å; L122-V139 HydrophobicContact CD2-CG1 4.44Å; L122-L141 HydrophobicContact CD1-CD1 4.31Å; L122-L141 HydrophobicContact CD1-CD2 3.83Å; L122-L141 HydrophobicContact CD2-CD1 4.36Å
123H91.2Very high80.2Confident43 Ų4356.9 Ų56.920%0.19930%0.301CS..EExtended strand (participates in β ladder)trans-150.8148.8175.864-74.8000112.1K47 M85 F86K47-H123 HydrophobicContact CB-CB 3.88Å; K47-H123 HydrophobicContact CG-CB 4.06Å; M85-H123 PolarHBondContact SD-N 3.34Å; F86-H123 WeakPolarHBondContact CB-CE1 3.08Å; F86-H123 WeakPolarHBondContact CB-NE2 3.28Å; F86-H123 WeakPolarHBondContact CB-O 3.42Å; F86-H123 AromaticContact CG-NE2 3.95Å; F86-H123 PolarHBondContact N-O 3.33Å; F86-H123 PolarHBondContact O-N 2.96Å; F86-H123 PolarHBondContact O-ND1 3.41Å
124S86.1Confident79Confident3 Ų353.1 Ų53.12%0.02130%0.297CS..  trans-103.5125.2173.9178.10000109.7S126S124-S126 VanDerWaalsContact C-N 3.3Å; S124-S126 PolarHBondContact OG-N 2.89Å
125N76.7Confident78.1Confident116 Ų11651.2 Ų51.262%0.6229%0.288SS*.  trans-90.44.9170.8-162.91.4000112.1F86F86-N125 HydrophobicContact CD2-CB 4.1Å; F86-N125 HydrophobicContact CE2-CB 3.88Å
126S67.3Low77.5Confident25 Ų2553 Ų5318%0.17529%0.29CS..  trans-93.9118179.6-70.50000110.5S124 K128 F129S124-S126 VanDerWaalsContact C-N 3.3Å; S124-S126 PolarHBondContact OG-N 2.89Å; S126-K128 PolarHBondContact O-N 3.31Å; S126-F129 WeakPolarHBondContact O-CD1 3.47Å; S126-F129 WeakPolarHBondContact O-CE1 3.48Å
127S65.2Low77.3Confident83 Ų8352.4 Ų52.458%0.5828%0.283SS*.G310 helixtrans-71.1-6.9164.748.70000112.9F129 S130S127-F129 VanDerWaalsContact C-N 3.25Å; S127-F129 PolarHBondContact O-N 2.99Å; S127-S130 PolarHBondContact O-N 3.5Å; S127-S130 PolarHBondContact O-OG 2.95Å
128K62.7Low77Confident126 Ų12648.5 Ų48.555%0.54826%0.263SS..G310 helixtrans-58.5-30.2-176.4-67.4-176.1178.2178.80113.8L83 S126 F132L83-K128 HydrophobicContact CD2-CB 4.23Å; S126-K128 PolarHBondContact O-N 3.31Å; K128-F132 WeakPolarHBondContact O-CD2 3.28Å
129F67Low76.8Confident2 Ų248.5 Ų48.51%0.00926%0.263CS..G310 helixtrans-81.4-14.9-17875.1-83.4000114.2E44 L68 L83 S126 S127 L131 F132 A133 G135 L137E44-F129 HydrophobicContact CB-CZ 4.34Å; E44-F129 HydrophobicContact CG-CE1 4.2Å; E44-F129 HydrophobicContact CG-CE2 4.28Å; E44-F129 HydrophobicContact CG-CZ 3.83Å; L68-F129 HydrophobicContact CD2-CB 3.94Å; L83-F129 HydrophobicContact CD1-CB 4.45Å; L83-F129 HydrophobicContact CD2-CB 3.95Å; S126-F129 WeakPolarHBondContact O-CD1 3.47Å; S126-F129 WeakPolarHBondContact O-CE1 3.48Å; S127-F129 VanDerWaalsContact C-N 3.25Å; S127-F129 PolarHBondContact O-N 2.99Å; F129-L131 PolarHBondContact O-N 3.2Å; F129-F132 PolarHBondContact O-N 3.43Å; F129-A133 PolarHBondContact O-N 2.99Å; F129-G135 VanDerWaalsContact CE2-O 3.27Å; F129-G135 WeakPolarHBondContact CE2-O 3.5Å; F129-L137 HydrophobicContact CD2-CB 4.38Å; F129-L137 HydrophobicContact CE2-CB 4.3Å
130S59.4Low76.6Confident37 Ų3746.7 Ų46.726%0.25926%0.255SS..Hα-helixtrans-64.5-35.317482.10000112.4E44 S127 F132E44-S130 WeakPolarHBondContact OE1-CB 3.48Å; S127-S130 PolarHBondContact O-N 3.5Å; S127-S130 PolarHBondContact O-OG 2.95Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 3.4Å
131L60Low76.4Confident141 Ų14147.7 Ų47.774%0.73826%0.26SS*.Hα-helixtrans-69.3-27.3179.3-66.2169.4000113.1F129F129-L131 PolarHBondContact O-N 3.2Å
132F57.9Low76.2Confident154 Ų15451.5 Ų51.568%0.67528%0.28SS*.Hα-helixtrans-111.3-29.1-172.2-60.5-72.5000114.7K128 F129 S130K128-F132 WeakPolarHBondContact O-CD2 3.28Å; F129-F132 PolarHBondContact O-N 3.43Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 3.4Å
133A59.7Low76.1Confident7 Ų753.7 Ų53.76%0.05829%0.291CS..Hα-helixtrans-12717.6-169.300000114.8L68 F129 G135L68-A133 HydrophobicContact CB-CB 4.33Å; L68-A133 HydrophobicContact CD2-CB 3.79Å; F129-A133 PolarHBondContact O-N 2.99Å; A133-G135 PolarHBondContact O-N 2.95Å
134G64.4Low76Confident49 Ų4954.5 Ų54.551%0.50530%0.295SS..THydrogen-bonded Turntrans67.324.4-17900000113.7M136G134-M136 PolarHBondContact O-N 3.36Å
135G70.5Confident76Confident10 Ų1056.4 Ų56.410%0.10331%0.307CS..THydrogen-bonded Turntrans76.814.7172.300000115.4G43 F129 A133G43-G135 WeakPolarHBondContact CA-O 3.25Å; F129-G135 VanDerWaalsContact CE2-O 3.27Å; F129-G135 WeakPolarHBondContact CE2-O 3.5Å; A133-G135 PolarHBondContact O-N 2.95Å
136M76.7Confident76.1Confident120 Ų12051.6 Ų51.659%0.59129%0.285SS*.EExtended strand (participates in β ladder)trans-126.4130.4174-62.9-170.7-177.700112.1G134G134-M136 PolarHBondContact O-N 3.36Å
137L85.3Confident76.1Confident4 Ų452.6 Ų52.62%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-110.2124.1176-174.472.1000109.6H41 I42 T66 Q67 L68 M85 F129 V139H41-L137 CarbonylContact C-O 3.58Å; H41-L137 VanDerWaalsContact CA-O 3.28Å; H41-L137 WeakPolarHBondContact CA-O 3.46Å; I42-L137 PolarHBondContact N-O 3.22Å; I42-L137 PolarHBondContact O-N 3.05Å; T66-L137 HydrophobicContact CG2-CD2 3.86Å; T66-L137 HydrophobicContact CG2-CG 4.43Å; Q67-L137 WeakPolarHBondContact O-CD1 3.38Å; L68-L137 HydrophobicContact CD2-CD1 3.51Å; L68-L137 HydrophobicContact CG-CD1 4.07Å; M85-L137 HydrophobicContact CE-CD2 3.48Å; M85-L137 VanDerWaalsContact CE-CD2 3.48Å; F129-L137 HydrophobicContact CD2-CB 4.38Å; F129-L137 HydrophobicContact CE2-CB 4.3Å; L137-V139 HydrophobicContact CD2-CG2 4.14Å; L137-V139 HydrophobicContact CG-CG2 4.2Å
138R88.4Confident75.9Confident41 Ų4155.4 Ų55.416%0.15529%0.29CS..EExtended strand (participates in β ladder)trans-82.6125174.2177.6-179.6-78.5-177-8.8109.3Y39 F40 H41 T66 Q67 Y76Y39-R138 HydrophobicContact CD2-CG 3.95Å; Y39-R138 HydrophobicContact CG-CG 4.2Å; F40-R138 CarbonylContact O-C 3.23Å; F40-R138 WeakPolarHBondContact O-CA 3.13Å; H41-R138 PolarHBondContact NE2-NE 2.97Å; T66-R138 CarbonylContact C-O 3.55Å; T66-R138 WeakPolarHBondContact CA-O 3.33Å; Q67-R138 HydrophobicContact CB-CB 4.28Å; Q67-R138 PolarHBondContact N-O 3.49Å; Q67-R138 PolarHBondContact O-N 2.91Å; Y76-R138 HydrophobicContact CD1-CB 3.91Å; Y76-R138 VanDerWaalsContact CD2-NH1 3.29Å; Y76-R138 HydrophobicContact CE1-CB 3.79Å; Y76-R138 HydrophobicContact CE1-CG 4.48Å; Y76-R138 VanDerWaalsContact CE2-CZ 3.42Å; Y76-R138 PolarHBondContact OH-NH2 3.39Å
139V91.1Very high75.8Confident0 Ų049.7 Ų49.70%027%0.267CS..EExtended strand (participates in β ladder)trans-119.4131.2-179.2-173.80000109.3Y39 F40 I42 R65 T66 M85 L122 L137Y39-V139 WeakPolarHBondContact CA-O 3.39Å; F40-V139 WeakPolarHBondContact CD1-O 3.44Å; F40-V139 HydrophobicContact CD2-CB 4.43Å; F40-V139 HydrophobicContact CE1-CB 4.02Å; F40-V139 HydrophobicContact CE1-CG1 4.01Å; F40-V139 HydrophobicContact CE2-CB 3.98Å; F40-V139 HydrophobicContact CE2-CG1 4.36Å; F40-V139 HydrophobicContact CE2-CG2 4.49Å; F40-V139 HydrophobicContact CZ-CB 3.74Å; F40-V139 HydrophobicContact CZ-CG1 3.69Å; F40-V139 PolarHBondContact N-O 2.95Å; F40-V139 PolarHBondContact O-N 3.32Å; I42-V139 HydrophobicContact CD1-CB 4.34Å; I42-V139 HydrophobicContact CD1-CG2 3.58Å; I42-V139 HydrophobicContact CG1-CG2 3.82Å; R65-V139 WeakPolarHBondContact O-CA 3.42Å; T66-V139 HydrophobicContact CG2-CG1 4.35Å; T66-V139 HydrophobicContact CG2-CG2 3.97Å; M85-V139 HydrophobicContact CE-CG2 4.2Å; L122-V139 HydrophobicContact CD2-CG1 4.44Å; L137-V139 HydrophobicContact CD2-CG2 4.14Å; L137-V139 HydrophobicContact CG-CG2 4.2Å
140H92.4Very high75.6Confident19 Ų1952.3 Ų52.39%0.08828%0.281CS..EExtended strand (participates in β ladder)trans-105130167.2-55.8-116.9000106.9Y64 R65 Q67Y64-H140 CarbonylContact C-O 3.55Å; Y64-H140 WeakPolarHBondContact CA-O 3.3Å; Y64-H140 WeakPolarHBondContact CB-O 3.27Å; R65-H140 HydrophobicContact CG-CB 3.65Å; R65-H140 PolarHBondContact N-O 3.42Å; R65-H140 VanDerWaalsContact NE-CG 3.31Å; R65-H140 PolarHBondContact NH2-CE1 2.95Å; R65-H140 PolarHBondContact NH2-ND1 3.45Å; R65-H140 VanDerWaalsContact NH2-ND1 3.1Å; R65-H140 PolarHBondContact O-N 2.98Å; Q67-H140 PolarHBondContact OE1-NE2 3.36Å
141L92.5Very high75.7Confident22 Ų2255.3 Ų55.312%0.11529%0.294CS..EExtended strand (participates in β ladder)trans-127.5130.2-178.2175.764.4000108.5F40 F50 F108 L122 I143F40-L141 HydrophobicContact CE1-CB 3.81Å; F40-L141 HydrophobicContact CE1-CD2 4.37Å; F40-L141 HydrophobicContact CZ-CB 4.47Å; F50-L141 HydrophobicContact CD2-CD2 3.59Å; F50-L141 HydrophobicContact CE2-CD2 3.62Å; F50-L141 HydrophobicContact CG-CD2 4.16Å; F50-L141 HydrophobicContact CZ-CD2 4.19Å; F108-L141 HydrophobicContact CE1-CD1 4.16Å; F108-L141 HydrophobicContact CZ-CD1 4.27Å; L122-L141 HydrophobicContact CD1-CD1 4.31Å; L122-L141 HydrophobicContact CD1-CD2 3.83Å; L122-L141 HydrophobicContact CD2-CD1 4.36Å; L141-I143 HydrophobicContact CD1-CG1 4.1Å; L141-I143 HydrophobicContact CD2-CD1 3.95Å; L141-I143 HydrophobicContact CD2-CG1 4.35Å; L141-I143 HydrophobicContact CG-CD1 4.18Å; L141-I143 HydrophobicContact CG-CG1 4.03Å
142D91.8Very high75.6Confident80 Ų8050.7 Ų50.743%0.42827%0.267SS..EExtended strand (participates in β ladder)trans-125.8122.5175.7177.344.7000108.2G62 N63 Q144G62-D142 CarbonylContact C-O 3.53Å; G62-D142 VanDerWaalsContact CA-O 3.29Å; G62-D142 WeakPolarHBondContact CA-O 3.49Å; N63-D142 HydrophobicContact CB-CB 4.45Å; N63-D142 PolarHBondContact N-O 3.4Å; N63-D142 PolarHBondContact O-N 2.89Å; D142-Q144 PolarHBondContact OD2-NE2 2.79Å
143I91.1Very high75.6Confident45 Ų4547 Ų4723%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-118.8122.4-178.4-60.9166.7000107.7I60 I120 L141 V145I60-I143 HydrophobicContact CG2-CG2 3.7Å; I120-I143 HydrophobicContact CD1-CD1 3.86Å; I120-I143 HydrophobicContact CD1-CG2 4.45Å; L141-I143 HydrophobicContact CD1-CG1 4.1Å; L141-I143 HydrophobicContact CD2-CD1 3.95Å; L141-I143 HydrophobicContact CD2-CG1 4.35Å; L141-I143 HydrophobicContact CG-CD1 4.18Å; L141-I143 HydrophobicContact CG-CG1 4.03Å; I143-V145 HydrophobicContact CG2-CG2 4.2Å
144Q89.6Confident75.6Confident60 Ų6052.8 Ų52.828%0.2829%0.291SS..EExtended strand (participates in β ladder)trans-114.2126.8179.9-60.9173.82200108.9I60 I61 D142 H148I60-Q144 WeakPolarHBondContact CA-O 3.36Å; I61-Q144 PolarHBondContact N-O 2.85Å; I61-Q144 PolarHBondContact O-N 3.3Å; D142-Q144 PolarHBondContact OD2-NE2 2.79Å; Q144-H148 HydrophobicContact CB-CB 4.43Å; Q144-H148 PolarHBondContact OE1-O 3.29Å; Q144-H148 VanDerWaalsContact OE1-O 3.11Å
145V86.9Confident75.2Confident43 Ų4353.1 Ų53.126%0.26128%0.281SS..EExtended strand (participates in β ladder)trans-116.4133.9-174.6-175.80000109.9I54 T58 I60 I143I54-V145 HydrophobicContact CG2-CG1 4.42Å; T58-V145 HydrophobicContact CG2-CG1 3.67Å; I60-V145 HydrophobicContact CG1-CG1 4.21Å; I60-V145 HydrophobicContact CG1-CG2 4.27Å; I60-V145 HydrophobicContact CG2-CG2 4.37Å; I143-V145 HydrophobicContact CG2-CG2 4.2Å
146G79.1Confident74.4Confident16 Ų1654.5 Ų54.517%0.16529%0.291CS..G310 helixtrans71.2-130.9169.800000114.4M59 H148 A149M59-G146 PolarHBondContact O-N 3.39Å; G146-H148 PolarHBondContact O-N 3Å; G146-H148 VanDerWaalsContact O-N 3.15Å; G146-A149 VanDerWaalsContact O-CB 3.3Å; G146-A149 WeakPolarHBondContact O-CB 3.32Å; G146-A149 PolarHBondContact O-N 3.49Å
147E67.4Low73.6Confident46 Ų4652.6 Ų52.622%0.21529%0.294CS..G310 helixtrans-54.4-32.9-178.8179.2172.6-178.200112.5A149 N150 Y152 Q174 Q177E147-A149 PolarHBondContact O-N 3.46Å; E147-N150 PolarHBondContact O-N 3.19Å; E147-N150 VanDerWaalsContact O-N 3.12Å; E147-Y152 HydrophobicContact CG-CE2 3.98Å; E147-Y152 WeakPolarHBondContact CG-OH 3.32Å; E147-Q174 VanDerWaalsContact OE1-CG 3.28Å; E147-Q174 WeakPolarHBondContact OE1-CG 3.49Å; E147-Q174 PolarHBondContact OE1-NE2 3.12Å; E147-Q174 WeakPolarHBondContact OE2-CG 3.39Å; E147-Q177 PolarHBondContact OE2-OE1 3.1Å
148H60.8Low72.2Confident141 Ų14160.4 Ų60.465%0.65333%0.328SS*.G310 helixtrans-67.6-19.5177.4-63.389000113.6Q144 G146Q144-H148 HydrophobicContact CB-CB 4.43Å; Q144-H148 PolarHBondContact OE1-O 3.29Å; Q144-H148 VanDerWaalsContact OE1-O 3.11Å; G146-H148 PolarHBondContact O-N 3Å; G146-H148 VanDerWaalsContact O-N 3.15Å
149A61Low70.7Confident6 Ų662.6 Ų62.65%0.0534%0.343CS..G310 helixtrans-83.7-18.2174.600000113I61 G146 E147 N151I61-A149 HydrophobicContact CB-CB 4.29Å; I61-A149 HydrophobicContact CD1-CB 3.67Å; I61-A149 WeakPolarHBondContact CD1-O 3.24Å; I61-A149 HydrophobicContact CG1-CB 3.78Å; G146-A149 VanDerWaalsContact O-CB 3.3Å; G146-A149 WeakPolarHBondContact O-CB 3.32Å; G146-A149 PolarHBondContact O-N 3.49Å; E147-A149 PolarHBondContact O-N 3.46Å; A149-N151 PolarHBondContact O-N 2.61Å
150N62.3Low69Low58 Ų5871.8 Ų71.831%0.3138%0.383SS..  trans-85.9113.1-174.5-71.1-22.5000111.5E147 Y152E147-N150 PolarHBondContact O-N 3.19Å; E147-N150 VanDerWaalsContact O-N 3.12Å; N150-Y152 HydrophobicContact CB-CE2 4.26Å; N150-Y152 WeakPolarHBondContact O-CD2 3.49Å; N150-Y152 PolarHBondContact O-N 2.97Å
151N60.5Low67.4Low100 Ų10073 Ų7354%0.53539%0.39SS..  trans-76.987.3172.5-97.1-69.6000111.1A149 A153 E154 I155A149-N151 PolarHBondContact O-N 2.61Å; N151-A153 PolarHBondContact O-N 3.27Å; N151-A153 VanDerWaalsContact O-N 3.1Å; N151-E154 HydrophobicContact CB-CB 4.32Å; N151-E154 PolarHBondContact O-N 3.32Å; N151-I155 PolarHBondContact O-N 2.85Å
152Y58.2Low66.2Low44 Ų4476.4 Ų76.417%0.17341%0.412CS..Hα-helixtrans-53.4-29.6175.4-71.2-75.9000113.8E147 N150 E154 I155 A156 Q170 E173E147-Y152 HydrophobicContact CG-CE2 3.98Å; E147-Y152 WeakPolarHBondContact CG-OH 3.32Å; N150-Y152 HydrophobicContact CB-CE2 4.26Å; N150-Y152 WeakPolarHBondContact O-CD2 3.49Å; N150-Y152 PolarHBondContact O-N 2.97Å; Y152-E154 PolarHBondContact O-N 3.49Å; Y152-I155 PolarHBondContact O-N 3.43Å; Y152-A156 WeakPolarHBondContact O-CB 3.23Å; Y152-A156 PolarHBondContact O-N 3.07Å; Y152-Q170 HydrophobicContact CD1-CG 3.64Å; Y152-Q170 HydrophobicContact CE1-CG 3.54Å; Y152-Q170 HydrophobicContact CG-CG 4.4Å; Y152-E173 WeakPolarHBondContact CE1-OE2 3.48Å; Y152-E173 PolarHBondContact OH-OE2 3.31Å
153A58Low65.3Low76 Ų7678.9 Ų78.963%0.62842%0.42SS*.Hα-helixtrans-66-33.1177.600000113.4N151 A157N151-A153 PolarHBondContact O-N 3.27Å; N151-A153 VanDerWaalsContact O-N 3.1Å; A153-A157 PolarHBondContact O-N 3.43Å
154E59Low64.6Low128 Ų12882.8 Ų82.860%0.59844%0.441SS*.Hα-helixtrans-80.6-35.3179.1-165.4175.9169.100111.4N151 Y152 A157 K158N151-E154 HydrophobicContact CB-CB 4.32Å; N151-E154 PolarHBondContact O-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.49Å; E154-A157 PolarHBondContact O-N 3.34Å; E154-K158 PolarHBondContact O-N 2.9Å; E154-K158 VanDerWaalsContact O-N 3.12Å
155I55.7Low63.8Low57 Ų5785.3 Ų85.329%0.29245%0.453SS..Hα-helixtrans-66.1-40.3174.3-59171.7000110.7N151 Y152 A157 K158 D159N151-I155 PolarHBondContact O-N 2.85Å; Y152-I155 PolarHBondContact O-N 3.43Å; I155-A157 VanDerWaalsContact C-N 3.29Å; I155-A157 PolarHBondContact O-N 3.34Å; I155-K158 PolarHBondContact O-N 3.3Å; I155-D159 PolarHBondContact O-N 3.11Å; I155-D159 VanDerWaalsContact O-N 3.14Å
156A54.8Low63.4Low38 Ų3884.7 Ų84.731%0.31445%0.448SS..Hα-helixtrans-58.1-40.4175.400000112.9Y152 L166Y152-A156 WeakPolarHBondContact O-CB 3.23Å; Y152-A156 PolarHBondContact O-N 3.07Å; A156-L166 HydrophobicContact CB-CD1 3.38Å
157A59.4Low63.4Low81 Ų8190.8 Ų90.867%0.66947%0.466SS*.Hα-helixtrans-76.5-34.7-178.200000112.8A153 E154 I155A153-A157 PolarHBondContact O-N 3.43Å; E154-A157 PolarHBondContact O-N 3.34Å; I155-A157 VanDerWaalsContact C-N 3.29Å; I155-A157 PolarHBondContact O-N 3.34Å
158K55.8Low64.3Low168 Ų16892.9 Ų92.973%0.7348%0.482SS*.Hα-helixtrans-75.9-41.5-179-100.6-166.2172.8-1780114E154 I155E154-K158 PolarHBondContact O-N 2.9Å; E154-K158 VanDerWaalsContact O-N 3.12Å; I155-K158 PolarHBondContact O-N 3.3Å
159D57.9Low65.3Low87 Ų8792 Ų9247%0.46547%0.473SS..Hα-helixtrans-94.2-0.2-171.8-78-10.8000114I155 L161 R169I155-D159 PolarHBondContact O-N 3.11Å; I155-D159 VanDerWaalsContact O-N 3.14Å; D159-L161 HydrophobicContact CB-CD1 3.75Å; D159-L161 HydrophobicContact CB-CD2 4.12Å; D159-L161 HydrophobicContact CB-CG 3.55Å; D159-L161 PolarHBondContact O-N 3.34Å; D159-L161 VanDerWaalsContact O-N 3.1Å; D159-R169 IonicContact OD2-NH1 3.82Å
160K54.5Low66.3Low193 Ų19394.1 Ų94.184%0.83948%0.482SS*.THydrogen-bonded Turntrans44.143.4-175-66.4-169.5178.6-175.20112.1
161L58.9Low67.4Low45 Ų4596.4 Ų96.424%0.23649%0.493CS..  trans-73.1138.6-175.8-66.8166.6000109.7D159 Q165 L166D159-L161 HydrophobicContact CB-CD1 3.75Å; D159-L161 HydrophobicContact CB-CD2 4.12Å; D159-L161 HydrophobicContact CB-CG 3.55Å; D159-L161 PolarHBondContact O-N 3.34Å; D159-L161 VanDerWaalsContact O-N 3.1Å; L161-Q165 HydrophobicContact CB-CB 4.4Å; L161-Q165 HydrophobicContact CD2-CB 4.28Å; L161-L166 HydrophobicContact CB-CB 4.46Å
162T68.3Low68.8Low93 Ų9396.1 Ų96.157%0.57150%0.495SS*.  trans-62.2140.2168.8-50.20000107.6L164 Q165 L166T162-L164 PolarHBondContact O-N 3.16Å; T162-Q165 PolarHBondContact O-N 3.45Å; T162-L166 PolarHBondContact O-N 3.37Å
163E72.8Confident69.9Low131 Ų13196.6 Ų96.661%0.61250%0.499SS*.Hα-helixtrans-47.6-34.5-175.1-164-170.4158.600113.3R167E163-R167 WeakPolarHBondContact O-CG 3.33Å; E163-R167 PolarHBondContact O-N 3.44Å; E163-R167 IonicContact OE1-CZ 2.7Å; E163-R167 IonicContact OE1-NE 2.93Å; E163-R167 IonicContact OE1-NH2 3.81Å; E163-R167 PolarHBondContact OE1-NH2 2.98Å
164L74.8Confident71.1Confident128 Ų12896.6 Ų96.667%0.6749%0.486SS*.Hα-helixtrans-65.9-44.1174.7-80.3164.3000114.4T162 L166 R167 V168T162-L164 PolarHBondContact O-N 3.16Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-L166 PolarHBondContact O-N 2.62Å; L164-R167 PolarHBondContact O-N 3.07Å; L164-V168 WeakPolarHBondContact O-CG2 3.2Å; L164-V168 PolarHBondContact O-N 2.93Å
165Q74.6Confident72.6Confident112 Ų11294.7 Ų94.752%0.52348%0.482SS..Hα-helixtrans-64.3-37179.2-75.3177.3-45.900111.3L161 T162 V168 R169L161-Q165 HydrophobicContact CB-CB 4.4Å; L161-Q165 HydrophobicContact CD2-CB 4.28Å; T162-Q165 PolarHBondContact O-N 3.45Å; Q165-V168 PolarHBondContact O-N 3.18Å; Q165-R169 WeakPolarHBondContact O-CB 3.41Å; Q165-R169 PolarHBondContact O-N 2.91Å
166L77.6Confident74.1Confident31 Ų3196.1 Ų96.116%0.16249%0.491CS..Hα-helixtrans-65-45.2177.4-168.3136.2000111.5A156 L161 T162 L164 V168 R169 Q170A156-L166 HydrophobicContact CB-CD1 3.38Å; L161-L166 HydrophobicContact CB-CB 4.46Å; T162-L166 PolarHBondContact O-N 3.37Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-L166 PolarHBondContact O-N 2.62Å; L166-V168 PolarHBondContact O-N 3.44Å; L166-R169 PolarHBondContact O-N 3.38Å; L166-Q170 HydrophobicContact CD2-CG 4.37Å; L166-Q170 WeakPolarHBondContact O-CG 3.45Å; L166-Q170 PolarHBondContact O-N 3.3Å
167R79.6Confident75.4Confident144 Ų14496.9 Ų96.954%0.54349%0.488SS..Hα-helixtrans-63.3-40175.8-69.6-176.8-168.5-153.46.1112.9E163 L164 R169 Q170 L171E163-R167 WeakPolarHBondContact O-CG 3.33Å; E163-R167 PolarHBondContact O-N 3.44Å; E163-R167 IonicContact OE1-CZ 2.7Å; E163-R167 IonicContact OE1-NE 2.93Å; E163-R167 IonicContact OE1-NH2 3.81Å; E163-R167 PolarHBondContact OE1-NH2 2.98Å; L164-R167 PolarHBondContact O-N 3.07Å; R167-R169 VanDerWaalsContact C-N 3.35Å; R167-Q170 PolarHBondContact O-N 3.18Å; R167-L171 WeakPolarHBondContact O-CG 3.4Å; R167-L171 PolarHBondContact O-N 3.17Å
168V86.9Confident76.9Confident89 Ų8997.1 Ų97.154%0.53948%0.477SS..Hα-helixtrans-64.4-41.9176.41720000110.8L164 Q165 L166 L171 V172L164-V168 WeakPolarHBondContact O-CG2 3.2Å; L164-V168 PolarHBondContact O-N 2.93Å; Q165-V168 PolarHBondContact O-N 3.18Å; L166-V168 PolarHBondContact O-N 3.44Å; V168-L171 PolarHBondContact O-N 3.41Å; V168-V172 WeakPolarHBondContact O-CG2 3.26Å; V168-V172 PolarHBondContact O-N 3.04Å
169R80.4Confident78.5Confident123 Ų12393.7 Ų93.746%0.46446%0.464SS..Hα-helixtrans-63.3-42.6176.9-169.3172-173.7155.53.5112.1D159 Q165 L166 R167 L171 V172 E173D159-R169 IonicContact OD2-NH1 3.82Å; Q165-R169 WeakPolarHBondContact O-CB 3.41Å; Q165-R169 PolarHBondContact O-N 2.91Å; L166-R169 PolarHBondContact O-N 3.38Å; R167-R169 VanDerWaalsContact C-N 3.35Å; R169-L171 VanDerWaalsContact C-N 3.34Å; R169-L171 PolarHBondContact O-N 2.91Å; R169-V172 PolarHBondContact O-N 2.76Å; R169-E173 IonicContact NE-OE1 3.87Å; R169-E173 PolarHBondContact O-N 3.29Å
170Q81.6Confident79.7Confident51 Ų5192.4 Ų92.424%0.23845%0.454CS..Hα-helixtrans-57.1-46.6172.9-76.2174.6-31.600111.9Y152 L166 R167 V172 E173 Q174Y152-Q170 HydrophobicContact CD1-CG 3.64Å; Y152-Q170 HydrophobicContact CE1-CG 3.54Å; Y152-Q170 HydrophobicContact CG-CG 4.4Å; L166-Q170 HydrophobicContact CD2-CG 4.37Å; L166-Q170 WeakPolarHBondContact O-CG 3.45Å; L166-Q170 PolarHBondContact O-N 3.3Å; R167-Q170 PolarHBondContact O-N 3.18Å; Q170-V172 VanDerWaalsContact C-N 3.32Å; Q170-V172 PolarHBondContact O-N 3.49Å; Q170-E173 PolarHBondContact O-N 3.41Å; Q170-Q174 WeakPolarHBondContact O-CB 3.35Å; Q170-Q174 VanDerWaalsContact O-CG 3.31Å; Q170-Q174 WeakPolarHBondContact O-CG 3.31Å; Q170-Q174 PolarHBondContact O-N 3.27Å
171L86.4Confident81Confident105 Ų10588.2 Ų88.255%0.5544%0.437SS..Hα-helixtrans-63.6-37.1178.1-71.3169000112.6R167 V168 R169 Q174 V175R167-L171 WeakPolarHBondContact O-CG 3.4Å; R167-L171 PolarHBondContact O-N 3.17Å; V168-L171 PolarHBondContact O-N 3.41Å; R169-L171 VanDerWaalsContact C-N 3.34Å; R169-L171 PolarHBondContact O-N 2.91Å; L171-Q174 PolarHBondContact O-N 2.99Å; L171-V175 VanDerWaalsContact O-CG2 3.28Å; L171-V175 WeakPolarHBondContact O-CG2 3.29Å; L171-V175 PolarHBondContact O-N 3.12Å
172V88.8Confident82.4Confident95 Ų9590.3 Ų90.358%0.57645%0.446SS*.Hα-helixtrans-66.3-44.6176.1171.40000111V168 R169 Q170 Q174 V175 D176V168-V172 WeakPolarHBondContact O-CG2 3.26Å; V168-V172 PolarHBondContact O-N 3.04Å; R169-V172 PolarHBondContact O-N 2.76Å; Q170-V172 VanDerWaalsContact C-N 3.32Å; Q170-V172 PolarHBondContact O-N 3.49Å; V172-Q174 VanDerWaalsContact C-N 3.34Å; V172-V175 PolarHBondContact O-N 3.37Å; V172-D176 PolarHBondContact O-N 2.89Å
173E82.8Confident83.3Confident53 Ų5389.9 Ų89.925%0.24844%0.44CS..Hα-helixtrans-62.9-40.7176.5-73.2174.1-17200111.6Y152 R169 Q170 D176 Q177Y152-E173 WeakPolarHBondContact CE1-OE2 3.48Å; Y152-E173 PolarHBondContact OH-OE2 3.31Å; R169-E173 IonicContact NE-OE1 3.87Å; R169-E173 PolarHBondContact O-N 3.29Å; Q170-E173 PolarHBondContact O-N 3.41Å; E173-D176 PolarHBondContact O-N 3.31Å; E173-Q177 PolarHBondContact O-N 2.88Å
174Q82.8Confident83.8Confident76 Ų7687.5 Ų87.536%0.35543%0.426SS..Hα-helixtrans-62.5-43.3174.9-77.1176.2-0.100112.6E147 Q170 L171 V172 Q177 I178E147-Q174 VanDerWaalsContact OE1-CG 3.28Å; E147-Q174 WeakPolarHBondContact OE1-CG 3.49Å; E147-Q174 PolarHBondContact OE1-NE2 3.12Å; E147-Q174 WeakPolarHBondContact OE2-CG 3.39Å; Q170-Q174 WeakPolarHBondContact O-CB 3.35Å; Q170-Q174 VanDerWaalsContact O-CG 3.31Å; Q170-Q174 WeakPolarHBondContact O-CG 3.31Å; Q170-Q174 PolarHBondContact O-N 3.27Å; L171-Q174 PolarHBondContact O-N 2.99Å; V172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-Q177 PolarHBondContact O-N 3.15Å; Q174-I178 VanDerWaalsContact O-CG1 3.28Å; Q174-I178 WeakPolarHBondContact O-CG1 3.32Å; Q174-I178 PolarHBondContact O-N 3.04Å
175V91.1Very high84.4Confident88 Ų8887.8 Ų87.853%0.53342%0.424SS..Hα-helixtrans-66.5-40.1177.6170.20000111L171 V172 Q177 I178 Q179L171-V175 VanDerWaalsContact O-CG2 3.28Å; L171-V175 WeakPolarHBondContact O-CG2 3.29Å; L171-V175 PolarHBondContact O-N 3.12Å; V172-V175 PolarHBondContact O-N 3.37Å; V175-Q177 VanDerWaalsContact C-N 3.34Å; V175-I178 PolarHBondContact O-N 2.74Å; V175-Q179 WeakPolarHBondContact O-CB 3.5Å; V175-Q179 PolarHBondContact O-N 3.03Å
176D87.1Confident85.3Confident88 Ų8888.6 Ų88.647%0.47142%0.422SS..Hα-helixtrans-62.1-43175.6-170.168.8000111.4V172 E173 I178 Q179 K180V172-D176 PolarHBondContact O-N 2.89Å; E173-D176 PolarHBondContact O-N 3.31Å; D176-I178 PolarHBondContact O-N 3.23Å; D176-Q179 WeakPolarHBondContact O-CB 3.38Å; D176-Q179 PolarHBondContact O-N 3.43Å; D176-K180 WeakPolarHBondContact O-CG 3.4Å; D176-K180 PolarHBondContact O-N 3.25Å; D176-K180 WeakPolarHBondContact OD2-CE 3.31Å
177Q82.1Confident85.8Confident53 Ų5393.2 Ų93.225%0.24844%0.438CS..Hα-helixtrans-60.3-47.1174.3-177.6175.9-30.200111.8E147 E173 Q174 V175 Q179 K180 E181E147-Q177 PolarHBondContact OE2-OE1 3.1Å; E173-Q177 PolarHBondContact O-N 2.88Å; Q174-Q177 PolarHBondContact O-N 3.15Å; V175-Q177 VanDerWaalsContact C-N 3.34Å; Q177-Q179 VanDerWaalsContact C-N 3.27Å; Q177-Q179 PolarHBondContact O-N 3.46Å; Q177-K180 PolarHBondContact O-N 3.43Å; Q177-E181 PolarHBondContact NE2-OE1 3.42Å; Q177-E181 WeakPolarHBondContact O-CG 3.01Å; Q177-E181 PolarHBondContact O-N 3.44Å
178I89.8Confident86.2Confident86 Ų8693.4 Ų93.444%0.44144%0.439SS..Hα-helixtrans-59.6-41.2176.9-68.2164.5000110.7Q174 V175 D176 E181 Q182Q174-I178 VanDerWaalsContact O-CG1 3.28Å; Q174-I178 WeakPolarHBondContact O-CG1 3.32Å; Q174-I178 PolarHBondContact O-N 3.04Å; V175-I178 PolarHBondContact O-N 2.74Å; D176-I178 PolarHBondContact O-N 3.23Å; I178-E181 PolarHBondContact O-N 2.87Å; I178-Q182 HydrophobicContact CG2-CG 4.32Å; I178-Q182 WeakPolarHBondContact O-CB 3.34Å; I178-Q182 VanDerWaalsContact O-CG 3.32Å; I178-Q182 WeakPolarHBondContact O-CG 3.33Å; I178-Q182 PolarHBondContact O-N 3.36Å
179Q90.4Very high86.4Confident97 Ų9795 Ų9545%0.45344%0.441SS..Hα-helixtrans-62-44178.3-167.988.313.800111.2V175 D176 Q177 Q182 N183V175-Q179 WeakPolarHBondContact O-CB 3.5Å; V175-Q179 PolarHBondContact O-N 3.03Å; D176-Q179 WeakPolarHBondContact O-CB 3.38Å; D176-Q179 PolarHBondContact O-N 3.43Å; Q177-Q179 VanDerWaalsContact C-N 3.27Å; Q177-Q179 PolarHBondContact O-N 3.46Å; Q179-Q182 PolarHBondContact O-N 2.98Å; Q179-N183 PolarHBondContact O-N 3.23Å
180K82.7Confident86.9Confident60 Ų6094.2 Ų94.226%0.26144%0.442SS..Hα-helixtrans-61.7-47175-72.5-176179.9-167.30111.3D56 E57 D176 Q177 Q182 N183 Y184D56-K180 PolarHBondContact O-NZ 2.96Å; E57-K180 PolarHBondContact O-NZ 2.96Å; D176-K180 WeakPolarHBondContact O-CG 3.4Å; D176-K180 PolarHBondContact O-N 3.25Å; D176-K180 WeakPolarHBondContact OD2-CE 3.31Å; Q177-K180 PolarHBondContact O-N 3.43Å; K180-Q182 VanDerWaalsContact C-N 3.35Å; K180-Q182 PolarHBondContact O-N 2.88Å; K180-N183 PolarHBondContact O-N 3.38Å; K180-Y184 WeakPolarHBondContact O-CB 3.3Å; K180-Y184 PolarHBondContact O-N 3.4Å
181E81.4Confident87Confident104 Ų10498.8 Ų98.849%0.48646%0.457SS..Hα-helixtrans-61.6-40.4177.1-73.7-179.2-164.400112.3Q177 I178 Y184 Q185Q177-E181 PolarHBondContact NE2-OE1 3.42Å; Q177-E181 WeakPolarHBondContact O-CG 3.01Å; Q177-E181 PolarHBondContact O-N 3.44Å; I178-E181 PolarHBondContact O-N 2.87Å; E181-Y184 PolarHBondContact O-N 3.02Å; E181-Q185 VanDerWaalsContact O-CG 3.24Å; E181-Q185 WeakPolarHBondContact O-CG 3.38Å; E181-Q185 PolarHBondContact O-N 2.88Å
182Q88.4Confident87.2Confident90 Ų90101.4 Ų101.442%0.42147%0.465SS..Hα-helixtrans-64.8-42.4175.7-76.8-175.56.100112.4I178 Q179 K180 Y184 Q185 R186I178-Q182 HydrophobicContact CG2-CG 4.32Å; I178-Q182 WeakPolarHBondContact O-CB 3.34Å; I178-Q182 VanDerWaalsContact O-CG 3.32Å; I178-Q182 WeakPolarHBondContact O-CG 3.33Å; I178-Q182 PolarHBondContact O-N 3.36Å; Q179-Q182 PolarHBondContact O-N 2.98Å; K180-Q182 VanDerWaalsContact C-N 3.35Å; K180-Q182 PolarHBondContact O-N 2.88Å; Q182-Y184 VanDerWaalsContact C-N 3.3Å; Q182-Y184 PolarHBondContact O-N 3.07Å; Q182-Q185 PolarHBondContact O-N 3.44Å; Q182-R186 WeakPolarHBondContact O-CG 3.37Å; Q182-R186 PolarHBondContact O-N 3.36Å
183N87.2Confident87.4Confident83 Ų83104.1 Ų104.144%0.44446%0.464SS..Hα-helixtrans-63.5-39.6175.7-85.1-14.2000111.4Q179 K180 R186 Y187Q179-N183 PolarHBondContact O-N 3.23Å; K180-N183 PolarHBondContact O-N 3.38Å; N183-R186 PolarHBondContact O-N 3.21Å; N183-R186 PolarHBondContact OD1-NH1 3.29Å; N183-Y187 PolarHBondContact O-N 3.5Å
184Y84.4Confident87.6Confident81 Ų81108 Ų10832%0.31848%0.483SS..Hα-helixtrans-62.5-44.4173.8177.4-97.1000112.4E53 K180 E181 Q182 R186 Y187 R188E53-Y184 WeakPolarHBondContact OE1-CE2 3.42Å; E53-Y184 PolarHBondContact OE1-OH 3.12Å; E53-Y184 PolarHBondContact OE2-OH 3.07Å; E53-Y184 VanDerWaalsContact OE2-OH 3.07Å; K180-Y184 WeakPolarHBondContact O-CB 3.3Å; K180-Y184 PolarHBondContact O-N 3.4Å; E181-Y184 PolarHBondContact O-N 3.02Å; Q182-Y184 VanDerWaalsContact C-N 3.3Å; Q182-Y184 PolarHBondContact O-N 3.07Å; Y184-R186 VanDerWaalsContact C-N 3.34Å; Y184-R186 PolarHBondContact O-N 2.9Å; Y184-Y187 PolarHBondContact O-N 2.93Å; Y184-R188 VanDerWaalsContact CE1-CD 3.49Å; Y184-R188 HydrophobicContact CE1-CG 4.24Å; Y184-R188 PolarHBondContact O-N 3.43Å; Y184-R188 VanDerWaalsContact O-N 3.11Å; Y184-R188 WeakPolarHBondContact OH-CD 3.46Å
185Q87.5Confident87.8Confident134 Ų134108.3 Ų108.363%0.62649%0.49SS*.Hα-helixtrans-59.3-42.5174.7-71.5-96.912.700112E181 Q182 R188 E189E181-Q185 VanDerWaalsContact O-CG 3.24Å; E181-Q185 WeakPolarHBondContact O-CG 3.38Å; E181-Q185 PolarHBondContact O-N 2.88Å; Q182-Q185 PolarHBondContact O-N 3.44Å; Q185-R188 PolarHBondContact O-N 2.95Å; Q185-E189 PolarHBondContact O-N 3.42Å
186R92.8Very high87.8Confident130 Ų130107.3 Ų107.349%0.49149%0.487SS..Hα-helixtrans-61.4-45.5176.5-74176.6-174160.93.2112.2Q182 N183 Y184 R188 E189 E190Q182-R186 WeakPolarHBondContact O-CG 3.37Å; Q182-R186 PolarHBondContact O-N 3.36Å; N183-R186 PolarHBondContact O-N 3.21Å; N183-R186 PolarHBondContact OD1-NH1 3.29Å; Y184-R186 VanDerWaalsContact C-N 3.34Å; Y184-R186 PolarHBondContact O-N 2.9Å; R186-R188 VanDerWaalsContact C-N 3.28Å; R186-R188 PolarHBondContact O-N 3.37Å; R186-E189 PolarHBondContact O-N 3.24Å; R186-E190 WeakPolarHBondContact O-CG 3.25Å; R186-E190 PolarHBondContact O-N 3.02Å
187Y88.1Confident88.1Confident127 Ų127109.3 Ų109.350%0.49849%0.493SS..Hα-helixtrans-59.5-41.6177.5176.8-105.6000111.8N183 Y184 E190 R191N183-Y187 PolarHBondContact O-N 3.5Å; Y184-Y187 PolarHBondContact O-N 2.93Å; Y187-E190 PolarHBondContact O-N 3.5Å; Y187-R191 PolarHBondContact O-N 3.42Å; Y187-R191 VanDerWaalsContact O-N 3.16Å; Y187-R191 PolarHBondContact OH-NH2 3.09Å
188R87.6Confident88.4Confident148 Ų148109 Ų10956%0.55850%0.497SS*.Hα-helixtrans-65.1-42174.9-78.6-170.255.6-178.8-5.8112.8Y184 Q185 R186 E190 R191 F192Y184-R188 VanDerWaalsContact CE1-CD 3.49Å; Y184-R188 HydrophobicContact CE1-CG 4.24Å; Y184-R188 PolarHBondContact O-N 3.43Å; Y184-R188 VanDerWaalsContact O-N 3.11Å; Y184-R188 WeakPolarHBondContact OH-CD 3.46Å; Q185-R188 PolarHBondContact O-N 2.95Å; R186-R188 VanDerWaalsContact C-N 3.28Å; R186-R188 PolarHBondContact O-N 3.37Å; R188-E190 VanDerWaalsContact C-N 3.35Å; R188-R191 PolarHBondContact O-N 3.33Å; R188-F192 WeakPolarHBondContact O-CB 3.47Å; R188-F192 PolarHBondContact O-N 3.08Å
189E91.1Very high88.4Confident124 Ų124108.5 Ų108.558%0.57950%0.498SS*.Hα-helixtrans-60.7-45.2176.4-172.6-172.6162.800110.9Q185 R186 R191 F192 R193Q185-E189 PolarHBondContact O-N 3.42Å; R186-E189 PolarHBondContact O-N 3.24Å; E189-R191 PolarHBondContact O-N 2.9Å; E189-F192 PolarHBondContact O-N 3.31Å; E189-R193 WeakPolarHBondContact O-CB 3.4Å; E189-R193 PolarHBondContact O-N 3.44Å
190E89.9Confident88.4Confident105 Ų105108.4 Ų108.449%0.49150%0.501SS..Hα-helixtrans-58.7-46.7178-74179.6179.700111.9R186 Y187 R188 R193 Q194R186-E190 WeakPolarHBondContact O-CG 3.25Å; R186-E190 PolarHBondContact O-N 3.02Å; Y187-E190 PolarHBondContact O-N 3.5Å; R188-E190 VanDerWaalsContact C-N 3.35Å; E190-R193 PolarHBondContact O-N 3.31Å; E190-Q194 WeakPolarHBondContact O-CG 3.42Å; E190-Q194 PolarHBondContact O-N 2.92Å
191R85.5Confident88.9Confident148 Ų148111.7 Ų111.756%0.55852%0.517SS*.Hα-helixtrans-64.1-43.7176.6-176.3-177.9-78.3-169.5-4.9112Y187 R188 E189 R193 Q194 T195Y187-R191 PolarHBondContact O-N 3.42Å; Y187-R191 VanDerWaalsContact O-N 3.16Å; Y187-R191 PolarHBondContact OH-NH2 3.09Å; R188-R191 PolarHBondContact O-N 3.33Å; E189-R191 PolarHBondContact O-N 2.9Å; R191-R193 VanDerWaalsContact C-N 3.33Å; R191-Q194 PolarHBondContact O-N 2.92Å; R191-T195 PolarHBondContact O-N 3.33Å; R191-T195 PolarHBondContact O-OG1 3.06Å
192F89.1Confident89.4Confident160 Ų160115.1 Ų115.170%0.70253%0.525SS*.Hα-helixtrans-65-39.5178.3-168.4-96.7000111.2R188 E189 T195 S196R188-F192 WeakPolarHBondContact O-CB 3.47Å; R188-F192 PolarHBondContact O-N 3.08Å; E189-F192 PolarHBondContact O-N 3.31Å; F192-T195 PolarHBondContact O-N 3.44Å; F192-S196 WeakPolarHBondContact O-CB 3.33Å; F192-S196 PolarHBondContact O-N 2.97Å
193R93.1Very high89.7Confident151 Ų151115 Ų11557%0.5753%0.531SS*.Hα-helixtrans-61.9-45.8176.6-169.3174.474.5-170.20.8111.5E189 E190 R191 T195 S196 E197E189-R193 WeakPolarHBondContact O-CB 3.4Å; E189-R193 PolarHBondContact O-N 3.44Å; E190-R193 PolarHBondContact O-N 3.31Å; R191-R193 VanDerWaalsContact C-N 3.33Å; R193-T195 VanDerWaalsContact C-N 3.32Å; R193-T195 PolarHBondContact O-N 3.06Å; R193-S196 PolarHBondContact O-N 3.27Å; R193-E197 WeakPolarHBondContact O-CB 3.46Å; R193-E197 PolarHBondContact O-N 3.44Å
194Q88.4Confident90Very high135 Ų135115.7 Ų115.763%0.63153%0.534SS*.Hα-helixtrans-61-40.4176.9-72.91780.200112.6E190 R191 S198E190-Q194 WeakPolarHBondContact O-CG 3.42Å; E190-Q194 PolarHBondContact O-N 2.92Å; R191-Q194 PolarHBondContact O-N 2.92Å; Q194-S198 PolarHBondContact O-N 2.89Å; Q194-S198 VanDerWaalsContact O-N 3.12Å; Q194-S198 PolarHBondContact O-OG 3.49Å
195T87.1Confident90.3Very high82 Ų82120.1 Ų120.150%0.50355%0.55SS.*Hα-helixtrans-70.2-39.9178.4-58.40000111.2R191 F192 R193 S198 T199R191-T195 PolarHBondContact O-N 3.33Å; R191-T195 PolarHBondContact O-OG1 3.06Å; F192-T195 PolarHBondContact O-N 3.44Å; R193-T195 VanDerWaalsContact C-N 3.32Å; R193-T195 PolarHBondContact O-N 3.06Å; T195-S198 PolarHBondContact O-OG 3.37Å; T195-S198 VanDerWaalsContact O-OG 3.12Å; T195-T199 VanDerWaalsContact O-CB 3.31Å; T195-T199 WeakPolarHBondContact O-CB 3.43Å; T195-T199 PolarHBondContact O-N 3.35Å; T195-T199 PolarHBondContact O-OG1 3.02Å
196S91.2Very high90.7Very high67 Ų67122.9 Ų122.947%0.46956%0.555SS.*Hα-helixtrans-62-46.7175.2-174.70000111.6F192 R193 T199 N200F192-S196 WeakPolarHBondContact O-CB 3.33Å; F192-S196 PolarHBondContact O-N 2.97Å; R193-S196 PolarHBondContact O-N 3.27Å; S196-T199 PolarHBondContact O-N 3Å; S196-N200 VanDerWaalsContact O-CB 3.26Å; S196-N200 WeakPolarHBondContact O-CB 3.36Å; S196-N200 PolarHBondContact O-N 3.01Å
197E92.4Very high90.7Very high131 Ų131119.7 Ų119.761%0.61255%0.552SS**Hα-helixtrans-63.2-47.9-179.1-172174.8-174.500112.1R193 T199 N200 Q201R193-E197 WeakPolarHBondContact O-CB 3.46Å; R193-E197 PolarHBondContact O-N 3.44Å; E197-T199 VanDerWaalsContact C-N 3.35Å; E197-T199 PolarHBondContact O-N 3.25Å; E197-N200 PolarHBondContact O-N 3.47Å; E197-Q201 WeakPolarHBondContact O-CB 3.45Å; E197-Q201 PolarHBondContact O-N 3.33Å
198S88.1Confident91.1Very high46 Ų46118.3 Ų118.332%0.32255%0.553SS.*Hα-helixtrans-66.2-34.7178.459.30000113.1Q194 T195 R202Q194-S198 PolarHBondContact O-N 2.89Å; Q194-S198 VanDerWaalsContact O-N 3.12Å; Q194-S198 PolarHBondContact O-OG 3.49Å; T195-S198 PolarHBondContact O-OG 3.37Å; T195-S198 VanDerWaalsContact O-OG 3.12Å; S198-R202 VanDerWaalsContact O-CG 3.29Å; S198-R202 WeakPolarHBondContact O-CG 3.4Å; S198-R202 PolarHBondContact O-N 2.97Å
199T90.3Very high91.5Very high76 Ų76113.3 Ų113.347%0.46654%0.538SS..Hα-helixtrans-68.4-47.3174.7-57.80000110.8T195 S196 E197 Q201 R202 V203T195-T199 VanDerWaalsContact O-CB 3.31Å; T195-T199 WeakPolarHBondContact O-CB 3.43Å; T195-T199 PolarHBondContact O-N 3.35Å; T195-T199 PolarHBondContact O-OG1 3.02Å; S196-T199 PolarHBondContact O-N 3Å; E197-T199 VanDerWaalsContact C-N 3.35Å; E197-T199 PolarHBondContact O-N 3.25Å; T199-Q201 VanDerWaalsContact C-N 3.32Å; T199-Q201 PolarHBondContact O-N 3.46Å; T199-R202 PolarHBondContact O-N 3.48Å; T199-V203 WeakPolarHBondContact O-CG2 3.44Å; T199-V203 PolarHBondContact O-N 3.28Å; T199-V203 VanDerWaalsContact O-N 3.07Å
200N91.1Very high91.6Very high95 Ų95113.3 Ų113.351%0.50854%0.539SS..Hα-helixtrans-58.6-44.1178.4-174.643.4000111.4S196 E197 R202 V203 L204S196-N200 VanDerWaalsContact O-CB 3.26Å; S196-N200 WeakPolarHBondContact O-CB 3.36Å; S196-N200 PolarHBondContact O-N 3.01Å; E197-N200 PolarHBondContact O-N 3.47Å; N200-R202 PolarHBondContact O-N 3.41Å; N200-V203 PolarHBondContact O-N 3.02Å; N200-L204 WeakPolarHBondContact O-CG 3.43Å; N200-L204 PolarHBondContact O-N 2.97Å
201Q91.7Very high91.8Very high129 Ų129112.1 Ų112.160%0.60354%0.539SS*.Hα-helixtrans-61.8-42.3178.2-171.5-179.86.700112.6E197 T199 L204 W205E197-Q201 WeakPolarHBondContact O-CB 3.45Å; E197-Q201 PolarHBondContact O-N 3.33Å; T199-Q201 VanDerWaalsContact C-N 3.32Å; T199-Q201 PolarHBondContact O-N 3.46Å; Q201-L204 PolarHBondContact O-N 3.3Å; Q201-W205 PolarHBondContact O-N 3.29Å; Q201-W205 VanDerWaalsContact O-N 3.09Å
202R92.8Very high92.4Very high175 Ų175110.6 Ų110.666%0.6654%0.541SS*.Hα-helixtrans-62.7-44.6177.4-70.8171.7-170.6-162.64111.4S198 T199 N200 L204 W205 W206S198-R202 VanDerWaalsContact O-CG 3.29Å; S198-R202 WeakPolarHBondContact O-CG 3.4Å; S198-R202 PolarHBondContact O-N 2.97Å; T199-R202 PolarHBondContact O-N 3.48Å; N200-R202 PolarHBondContact O-N 3.41Å; R202-L204 PolarHBondContact O-N 3.42Å; R202-W205 PolarHBondContact O-N 3.18Å; R202-W206 PolarHBondContact O-N 3.47Å
203V94.9Very high92.8Very high89 Ų89107.4 Ų107.454%0.53953%0.53SS..Hα-helixtrans-61.7-441791730000111.2T199 N200 W205 W206 S207T199-V203 WeakPolarHBondContact O-CG2 3.44Å; T199-V203 PolarHBondContact O-N 3.28Å; T199-V203 VanDerWaalsContact O-N 3.07Å; N200-V203 PolarHBondContact O-N 3.02Å; V203-W205 VanDerWaalsContact C-N 3.32Å; V203-W205 PolarHBondContact O-N 3.44Å; V203-W206 PolarHBondContact O-N 3.02Å; V203-S207 PolarHBondContact O-N 3.14Å
204L92.6Very high92.9Very high96 Ų96105.4 Ų105.450%0.50353%0.53SS..Hα-helixtrans-59.6-42.5175.7-71.8170.7000111.9N200 Q201 R202 S207 I208N200-L204 WeakPolarHBondContact O-CG 3.43Å; N200-L204 PolarHBondContact O-N 2.97Å; Q201-L204 PolarHBondContact O-N 3.3Å; R202-L204 PolarHBondContact O-N 3.42Å; L204-S207 WeakPolarHBondContact O-CB 3.36Å; L204-S207 PolarHBondContact O-N 2.98Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.06Å
205W92.1Very high93.3Very high175 Ų175102.9 Ų102.966%0.66352%0.524SS*.Hα-helixtrans-63.5-44.3178.6-13695.6000112.1Q201 R202 V203 S207 I208 V209Q201-W205 PolarHBondContact O-N 3.29Å; Q201-W205 VanDerWaalsContact O-N 3.09Å; R202-W205 PolarHBondContact O-N 3.18Å; V203-W205 VanDerWaalsContact C-N 3.32Å; V203-W205 PolarHBondContact O-N 3.44Å; W205-S207 VanDerWaalsContact C-N 3.32Å; W205-S207 PolarHBondContact O-N 2.93Å; W205-I208 PolarHBondContact O-N 3.37Å; W205-V209 HydrophobicContact CE3-CG2 3.43Å; W205-V209 VanDerWaalsContact CE3-CG2 3.43Å; W205-V209 HydrophobicContact CH2-CG2 4.34Å; W205-V209 HydrophobicContact CZ3-CG2 3.28Å; W205-V209 WeakPolarHBondContact O-CG2 3.31Å; W205-V209 PolarHBondContact O-N 2.95Å; W205-V209 VanDerWaalsContact O-N 3.08Å
206W95.2Very high93.7Very high191 Ų191101.8 Ų101.872%0.72352%0.523SS*.Hα-helixtrans-61.3-39.1174.2-76.6113.9000112.5R202 V203 V209 Q210R202-W206 PolarHBondContact O-N 3.47Å; V203-W206 PolarHBondContact O-N 3.02Å; W206-V209 PolarHBondContact O-N 3Å; W206-Q210 WeakPolarHBondContact O-CB 3.22Å; W206-Q210 PolarHBondContact O-N 3.22Å
207S92.4Very high94Very high63 Ų63102.4 Ų102.444%0.44152%0.52SS..Hα-helixtrans-62.8-44.2175.9-176.90000112.1V203 L204 W205 V209 Q210 T211V203-S207 PolarHBondContact O-N 3.14Å; L204-S207 WeakPolarHBondContact O-CB 3.36Å; L204-S207 PolarHBondContact O-N 2.98Å; W205-S207 VanDerWaalsContact C-N 3.32Å; W205-S207 PolarHBondContact O-N 2.93Å; S207-V209 PolarHBondContact O-N 3.29Å; S207-Q210 PolarHBondContact O-N 3.49Å; S207-T211 PolarHBondContact O-N 3.32Å; S207-T211 PolarHBondContact O-OG1 3.48Å; S207-T211 VanDerWaalsContact O-OG1 3.14Å
208I96.4Very high94.1Very high98 Ų9897.5 Ų97.550%0.50351%0.505SS..Hα-helixtrans-60.6-46.8176.8-68.2165.8000110.9L204 W205 Q210 T211 L212L204-I208 WeakPolarHBondContact O-CG1 3.49Å; L204-I208 PolarHBondContact O-N 3.06Å; W205-I208 PolarHBondContact O-N 3.37Å; I208-Q210 VanDerWaalsContact C-N 3.34Å; I208-Q210 PolarHBondContact O-N 3.03Å; I208-T211 PolarHBondContact O-N 3.32Å; I208-L212 HydrophobicContact CG2-CD1 4.19Å; I208-L212 WeakPolarHBondContact O-CG 3.41Å; I208-L212 PolarHBondContact O-N 3.46Å
209V95.4Very high94.5Very high43 Ų4399.6 Ų99.626%0.26151%0.512SS..Hα-helixtrans-59.6-45.9177.7171.70000111W205 W206 S207 T211 L212 I213W205-V209 HydrophobicContact CE3-CG2 3.43Å; W205-V209 VanDerWaalsContact CE3-CG2 3.43Å; W205-V209 HydrophobicContact CH2-CG2 4.34Å; W205-V209 HydrophobicContact CZ3-CG2 3.28Å; W205-V209 WeakPolarHBondContact O-CG2 3.31Å; W205-V209 PolarHBondContact O-N 2.95Å; W205-V209 VanDerWaalsContact O-N 3.08Å; W206-V209 PolarHBondContact O-N 3Å; S207-V209 PolarHBondContact O-N 3.29Å; V209-T211 PolarHBondContact O-N 2.95Å; V209-L212 PolarHBondContact O-N 2.9Å; V209-I213 HydrophobicContact CG1-CD1 3.8Å; V209-I213 HydrophobicContact CG1-CG1 4.48Å; V209-I213 WeakPolarHBondContact O-CG1 3.44Å; V209-I213 PolarHBondContact O-N 3.04Å
210Q93.5Very high94.7Very high125 Ų125104.8 Ų104.858%0.58452%0.523SS*.Hα-helixtrans-60.6-44.8178.6-178.1179.5-2300112W206 S207 I208 L212 I213 L214W206-Q210 WeakPolarHBondContact O-CB 3.22Å; W206-Q210 PolarHBondContact O-N 3.22Å; S207-Q210 PolarHBondContact O-N 3.49Å; I208-Q210 VanDerWaalsContact C-N 3.34Å; I208-Q210 PolarHBondContact O-N 3.03Å; Q210-L212 PolarHBondContact O-N 3.46Å; Q210-I213 PolarHBondContact O-N 2.96Å; Q210-L214 HydrophobicContact CG-CD1 4.45Å; Q210-L214 WeakPolarHBondContact O-CG 3.4Å; Q210-L214 PolarHBondContact O-N 3.46Å
211T95.7Very high94.7Very high80 Ų80105.8 Ų105.849%0.49153%0.525SS..Hα-helixtrans-61.6-42.6176.9-60.10000111.7S207 I208 V209 I213 L214 V215S207-T211 PolarHBondContact O-N 3.32Å; S207-T211 PolarHBondContact O-OG1 3.48Å; S207-T211 VanDerWaalsContact O-OG1 3.14Å; I208-T211 PolarHBondContact O-N 3.32Å; V209-T211 PolarHBondContact O-N 2.95Å; T211-I213 PolarHBondContact O-N 2.98Å; T211-L214 PolarHBondContact O-N 3.4Å; T211-V215 WeakPolarHBondContact O-CG2 3.46Å; T211-V215 PolarHBondContact O-N 2.91Å
212L97.2Very high94.8Very high115 Ų115105.4 Ų105.460%0.60252%0.524SS*.Hα-helixtrans-62.4-42177.2-72.2174.3000112.2I208 V209 Q210 V215 A216I208-L212 HydrophobicContact CG2-CD1 4.19Å; I208-L212 WeakPolarHBondContact O-CG 3.41Å; I208-L212 PolarHBondContact O-N 3.46Å; V209-L212 PolarHBondContact O-N 2.9Å; Q210-L212 PolarHBondContact O-N 3.46Å; L212-V215 PolarHBondContact O-N 2.94Å; L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 3.27Å
213I96.9Very high94.7Very high93 Ų93105.9 Ų105.948%0.47753%0.526SS..Hα-helixtrans-62.1-44.9176.6-68.6167.3000110.7V209 Q210 T211 V215 A216 I217V209-I213 HydrophobicContact CG1-CD1 3.8Å; V209-I213 HydrophobicContact CG1-CG1 4.48Å; V209-I213 WeakPolarHBondContact O-CG1 3.44Å; V209-I213 PolarHBondContact O-N 3.04Å; Q210-I213 PolarHBondContact O-N 2.96Å; T211-I213 PolarHBondContact O-N 2.98Å; I213-V215 PolarHBondContact O-N 3.32Å; I213-A216 PolarHBondContact O-N 2.89Å; I213-I217 HydrophobicContact CG2-CD1 3.74Å; I213-I217 HydrophobicContact CG2-CG1 4.41Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.44Å; I213-I217 PolarHBondContact O-N 3.25Å
214L95.4Very high94.4Very high110 Ų110107.1 Ų107.158%0.57653%0.526SS*.Hα-helixtrans-61.8-42178-72.3175.1000112.2Q210 T211 I217 G218Q210-L214 HydrophobicContact CG-CD1 4.45Å; Q210-L214 WeakPolarHBondContact O-CG 3.4Å; Q210-L214 PolarHBondContact O-N 3.46Å; T211-L214 PolarHBondContact O-N 3.4Å; L214-I217 PolarHBondContact O-N 3.01Å; L214-G218 PolarHBondContact O-N 3.49Å
215V97.1Very high94.2Very high81 Ų81106.7 Ų106.749%0.49152%0.524SS..Hα-helixtrans-63.7-43.9175.7172.10000111.1T211 L212 I213 I217 G218 I219T211-V215 WeakPolarHBondContact O-CG2 3.46Å; T211-V215 PolarHBondContact O-N 2.91Å; L212-V215 PolarHBondContact O-N 2.94Å; I213-V215 PolarHBondContact O-N 3.32Å; V215-I217 PolarHBondContact O-N 3.45Å; V215-G218 PolarHBondContact O-N 3.39Å; V215-I219 HydrophobicContact CG1-CD1 4.01Å; V215-I219 WeakPolarHBondContact O-CG1 3.31Å; V215-I219 PolarHBondContact O-N 2.92Å
216A96.3Very high93.8Very high59 Ų59105.4 Ų105.449%0.48852%0.522SS..Hα-helixtrans-61.5-44.9178.200000112L212 I213 G218 I219 W220L212-A216 WeakPolarHBondContact O-CB 3.32Å; L212-A216 PolarHBondContact O-N 3.27Å; I213-A216 PolarHBondContact O-N 2.89Å; A216-G218 VanDerWaalsContact C-N 3.34Å; A216-I219 PolarHBondContact O-N 3.29Å; A216-W220 WeakPolarHBondContact O-CB 3.44Å; A216-W220 PolarHBondContact O-N 3.35Å
217I95.6Very high93.1Very high80 Ų8099.7 Ų99.741%0.4151%0.512SS..Hα-helixtrans-62.6-41.8174.9-66.8168.2000110.6I213 L214 V215 I219 W220 Q221I213-I217 HydrophobicContact CG2-CD1 3.74Å; I213-I217 HydrophobicContact CG2-CG1 4.41Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.44Å; I213-I217 PolarHBondContact O-N 3.25Å; L214-I217 PolarHBondContact O-N 3.01Å; V215-I217 PolarHBondContact O-N 3.45Å; I217-I219 PolarHBondContact O-N 2.82Å; I217-W220 WeakPolarHBondContact O-CB 3.47Å; I217-W220 PolarHBondContact O-N 3.06Å; I217-Q221 HydrophobicContact CG2-CG 4.22Å; I217-Q221 WeakPolarHBondContact O-CB 3.38Å; I217-Q221 WeakPolarHBondContact O-CG 3.34Å; I217-Q221 PolarHBondContact O-N 3.39Å
218G95.5Very high92.5Very high29 Ų29101.3 Ų101.330%0.29951%0.511SS..Hα-helixtrans-60.7-44.4177.200000113L214 V215 A216 W220 Q221 M222L214-G218 PolarHBondContact O-N 3.49Å; V215-G218 PolarHBondContact O-N 3.39Å; A216-G218 VanDerWaalsContact C-N 3.34Å; G218-W220 VanDerWaalsContact C-N 3.35Å; G218-Q221 PolarHBondContact O-N 3.03Å; G218-M222 WeakPolarHBondContact O-CG 3.45Å; G218-M222 PolarHBondContact O-N 3.4Å
219I96.1Very high91.6Very high90 Ų90103 Ų10346%0.46252%0.515SS..Hα-helixtrans-63.2-43.9175.4-66.9167.6000110.6V215 A216 I217 M222 R223V215-I219 HydrophobicContact CG1-CD1 4.01Å; V215-I219 WeakPolarHBondContact O-CG1 3.31Å; V215-I219 PolarHBondContact O-N 2.92Å; A216-I219 PolarHBondContact O-N 3.29Å; I217-I219 PolarHBondContact O-N 2.82Å; I219-M222 PolarHBondContact O-N 2.85Å; I219-R223 WeakPolarHBondContact O-CG 3.46Å; I219-R223 PolarHBondContact O-N 3.15Å
220W95.6Very high90.4Very high185 Ų185108.5 Ų108.570%0.70154%0.538SS*.Hα-helixtrans-60-48176.9-179.5-85.9000111.7A216 I217 G218 M222 R223 H224A216-W220 WeakPolarHBondContact O-CB 3.44Å; A216-W220 PolarHBondContact O-N 3.35Å; I217-W220 WeakPolarHBondContact O-CB 3.47Å; I217-W220 PolarHBondContact O-N 3.06Å; G218-W220 VanDerWaalsContact C-N 3.35Å; W220-M222 VanDerWaalsContact C-N 3.34Å; W220-M222 PolarHBondContact O-N 3.49Å; W220-R223 PolarHBondContact O-N 3.06Å; W220-H224 WeakPolarHBondContact O-CB 3.47Å; W220-H224 PolarHBondContact O-N 3.16Å
221Q91.3Very high89.2Confident116 Ų116106.6 Ų106.654%0.54254%0.544SS..Hα-helixtrans-58.1-45177.8-76.6-177.10.300111.7I217 G218 R223 H224 L225I217-Q221 HydrophobicContact CG2-CG 4.22Å; I217-Q221 WeakPolarHBondContact O-CB 3.38Å; I217-Q221 WeakPolarHBondContact O-CG 3.34Å; I217-Q221 PolarHBondContact O-N 3.39Å; G218-Q221 PolarHBondContact O-N 3.03Å; Q221-R223 PolarHBondContact O-N 3.42Å; Q221-H224 PolarHBondContact O-N 3.35Å; Q221-L225 WeakPolarHBondContact O-CB 3.36Å; Q221-L225 WeakPolarHBondContact O-CG 3.37Å; Q221-L225 PolarHBondContact O-N 2.92Å
222M92.6Very high87.7Confident121 Ų121108.9 Ų108.960%0.59655%0.547SS*.Hα-helixtrans-64.3-40.4177.8-72-65.1-78.800112.6G218 I219 W220 K226G218-M222 WeakPolarHBondContact O-CG 3.45Å; G218-M222 PolarHBondContact O-N 3.4Å; I219-M222 PolarHBondContact O-N 2.85Å; W220-M222 VanDerWaalsContact C-N 3.34Å; W220-M222 PolarHBondContact O-N 3.49Å; M222-K226 WeakPolarHBondContact O-CG 3.48Å; M222-K226 PolarHBondContact O-N 3.23Å
223R90.4Very high85.6Confident184 Ų184112.5 Ų112.569%0.69456%0.558SS**Hα-helixtrans-67-43.4175.7-75.1-175.4179.3172.71112.1I219 W220 Q221 K226 S227I219-R223 WeakPolarHBondContact O-CG 3.46Å; I219-R223 PolarHBondContact O-N 3.15Å; W220-R223 PolarHBondContact O-N 3.06Å; Q221-R223 PolarHBondContact O-N 3.42Å; R223-K226 PolarHBondContact O-N 2.9Å; R223-S227 WeakPolarHBondContact O-CB 3.39Å; R223-S227 PolarHBondContact O-N 2.9Å
224H89.4Confident83.7Confident116 Ų116115.6 Ų115.654%0.53757%0.574SS.*Hα-helixtrans-62.6-44.6178-179.7-89.5000111.4W220 Q221 S227 F228W220-H224 WeakPolarHBondContact O-CB 3.47Å; W220-H224 PolarHBondContact O-N 3.16Å; Q221-H224 PolarHBondContact O-N 3.35Å; H224-S227 PolarHBondContact O-N 3.48Å; H224-F228 WeakPolarHBondContact O-CB 3.44Å; H224-F228 PolarHBondContact O-N 3.32Å
225L87.5Confident81.4Confident87 Ų87120.3 Ų120.346%0.45561%0.607SS.*Hα-helixtrans-60.5-45174.7-76.9169.1000111.8Q221 F228 F229Q221-L225 WeakPolarHBondContact O-CB 3.36Å; Q221-L225 WeakPolarHBondContact O-CG 3.37Å; Q221-L225 PolarHBondContact O-N 2.92Å; L225-F228 PolarHBondContact O-N 2.89Å; L225-F229 WeakPolarHBondContact O-CD2 3.27Å; L225-F229 PolarHBondContact O-N 3.08Å; L225-F229 VanDerWaalsContact O-N 3.08Å
226K83.7Confident80.6Confident147 Ų147122.3 Ų122.364%0.63961%0.613SS**Hα-helixtrans-60.4-46.9175.2-79.4-171.3175.2-172.50112.5M222 R223 F228 F229 E230M222-K226 WeakPolarHBondContact O-CG 3.48Å; M222-K226 PolarHBondContact O-N 3.23Å; R223-K226 PolarHBondContact O-N 2.9Å; K226-F228 VanDerWaalsContact C-N 3.3Å; K226-F228 PolarHBondContact O-N 3.38Å; K226-F229 PolarHBondContact O-N 3.41Å; K226-E230 PolarHBondContact O-N 2.96Å
227S80.5Confident79.7Confident72 Ų72125.6 Ų125.650%0.50362%0.62SS.*Hα-helixtrans-62.7-37.6178.1179.50000112.1R223 H224 E230 A231R223-S227 WeakPolarHBondContact O-CB 3.39Å; R223-S227 PolarHBondContact O-N 2.9Å; H224-S227 PolarHBondContact O-N 3.48Å; S227-E230 PolarHBondContact O-N 3.15Å; S227-A231 VanDerWaalsContact O-CB 3.27Å; S227-A231 WeakPolarHBondContact O-CB 3.44Å; S227-A231 PolarHBondContact O-N 3.49Å
228F80.5Confident78.9Confident97 Ų97128.1 Ų128.143%0.42563%0.631SS.*Hα-helixtrans-63.8-40.3175.2-176.2-95.1000112.5H224 L225 K226 K232H224-F228 WeakPolarHBondContact O-CB 3.44Å; H224-F228 PolarHBondContact O-N 3.32Å; L225-F228 PolarHBondContact O-N 2.89Å; K226-F228 VanDerWaalsContact C-N 3.3Å; K226-F228 PolarHBondContact O-N 3.38Å; F228-K232 HydrophobicContact CE1-CD 4.15Å; F228-K232 HydrophobicContact CE2-CD 4.39Å; F228-K232 HydrophobicContact CZ-CD 3.93Å; F228-K232 WeakPolarHBondContact O-CB 3.09Å; F228-K232 PolarHBondContact O-N 3.21Å; F228-K232 VanDerWaalsContact O-N 3.15Å
229F76.7Confident77.9Confident132 Ų132133.9 Ų133.958%0.57965%0.651SS**Hα-helixtrans-75-34.8176.5-73.3-61.1000113.4L225 K226 K232L225-F229 WeakPolarHBondContact O-CD2 3.27Å; L225-F229 PolarHBondContact O-N 3.08Å; L225-F229 VanDerWaalsContact O-N 3.08Å; K226-F229 PolarHBondContact O-N 3.41Å; F229-K232 CarbonylContact O-C 3.6Å; F229-K232 VanDerWaalsContact O-C 3.23Å; F229-K232 PolarHBondContact O-N 3.33Å
230E70.9Confident76.7Confident159 Ų159136.7 Ų136.774%0.74366%0.663SS**Hα-helixtrans-67.9-41.1174-80.5179.4165.900112.3K226 S227 K232K226-E230 PolarHBondContact O-N 2.96Å; S227-E230 PolarHBondContact O-N 3.15Å; E230-K232 VanDerWaalsContact C-N 3.31Å; E230-K232 PolarHBondContact O-N 3.49Å
231A68.5Low75.5Confident86 Ų86133.5 Ų133.571%0.71166%0.66SS**Hα-helixtrans-69.2-30.3177.100000112.4S227S227-A231 VanDerWaalsContact O-CB 3.27Å; S227-A231 WeakPolarHBondContact O-CB 3.44Å; S227-A231 PolarHBondContact O-N 3.49Å
232K63.9Low74.4Confident127 Ų127134.7 Ų134.755%0.55267%0.669SS**THydrogen-bonded Turntrans-102.264.3172.3-65.8-160.8179.3-167.20110.8F228 F229 E230 L234F228-K232 HydrophobicContact CE1-CD 4.15Å; F228-K232 HydrophobicContact CE2-CD 4.39Å; F228-K232 HydrophobicContact CZ-CD 3.93Å; F228-K232 WeakPolarHBondContact O-CB 3.09Å; F228-K232 PolarHBondContact O-N 3.21Å; F228-K232 VanDerWaalsContact O-N 3.15Å; F229-K232 CarbonylContact O-C 3.6Å; F229-K232 VanDerWaalsContact O-C 3.23Å; F229-K232 PolarHBondContact O-N 3.33Å; E230-K232 VanDerWaalsContact C-N 3.31Å; E230-K232 PolarHBondContact O-N 3.49Å; K232-L234 VanDerWaalsContact C-N 3.28Å; K232-L234 PolarHBondContact O-N 2.7Å
233K54.4Low73Confident192 Ų192135.8 Ų135.884%0.83567%0.674SS**  trans-49.189.4171.3-161.8-177.5-172.6-175.60110.7
234L55.1Low71.5Confident157 Ų157131.8 Ų131.882%0.82267%0.672SS**  trans-85.5119.4161.7-84.9155.5000105.5K232K232-L234 VanDerWaalsContact C-N 3.28Å; K232-L234 PolarHBondContact O-N 2.7Å
235V47.1Very low69.9Low209 Ų209133.2 Ų133.2100%1.26769%0.685SS**  trans-50.50174.1176.60000110.8

Retrieved 235 of 235 residues in 70.2 ms (Link to these results)

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