A0A3Q0KUB5_SCHMA Loading...

Egg protein CP391S-like AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KUB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 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
1M39.3Very low51.8Low211 Ų211127.3 Ų127.3100%1.03962%0.616SS**  0109.70-85.1173.5169.200108.9Y3M1-Y3 HydrophobicContact CB-CD2 4.11Å; M1-Y3 HydrophobicContact CB-CE2 4.18Å; M1-Y3 PolarHBondContact O-N 3.48Å; M1-Y3 HydrophobicContact SD-CE2 3.86Å
2R44Very low51.8Low242 Ų242121.4 Ų121.491%0.91359%0.589SS**  trans-78.697.7165.7-72.9-177.5178.7178.6-0.2106.6N4R2-N4 PolarHBondContact O-N 3.49Å
3Y51.3Low52.1Low176 Ų176116.5 Ų116.569%0.6957%0.566SS**  trans-70.2100.2173.3-96.8-87.5000108.1M1 F5M1-Y3 HydrophobicContact CB-CD2 4.11Å; M1-Y3 HydrophobicContact CB-CE2 4.18Å; M1-Y3 PolarHBondContact O-N 3.48Å; M1-Y3 HydrophobicContact SD-CE2 3.86Å; Y3-F5 PolarHBondContact O-N 3.48Å
4N47.6Very low52.2Low140 Ų140118.7 Ų118.775%0.74957%0.567SS**  trans-70.798.5167.5-79.7-22.6000107.4R2 S6R2-N4 PolarHBondContact O-N 3.49Å; N4-S6 PolarHBondContact O-N 3.38Å
5F48.6Very low52.4Low107 Ų107114.3 Ų114.347%0.46955%0.548SS..  trans-58.2124.6170.7-71-64.2000109.8Y3 L9 R10Y3-F5 PolarHBondContact O-N 3.48Å; F5-L9 HydrophobicContact CB-CB 4.46Å; F5-L9 HydrophobicContact CD1-CB 4.48Å; F5-L9 HydrophobicContact CD1-CD2 3.19Å; F5-L9 HydrophobicContact CD1-CG 4.39Å; F5-L9 HydrophobicContact CE1-CD2 3.52Å; F5-L9 HydrophobicContact CG-CD2 4.21Å; F5-R10 HydrophobicContact CB-CG 4.1Å
6S56.1Low52.6Low62 Ų62113.4 Ų113.443%0.43455%0.546SS..  trans-48.7143.3169.8168.10000110.2N4 S8 L9 R10N4-S6 PolarHBondContact O-N 3.38Å; S6-S8 PolarHBondContact O-N 3.46Å; S6-S8 VanDerWaalsContact O-N 3.08Å; S6-S8 PolarHBondContact OG-N 3.4Å; S6-S8 PolarHBondContact OG-OG 3.15Å; S6-L9 PolarHBondContact O-N 3.26Å; S6-R10 PolarHBondContact O-N 3.3Å; S6-R10 VanDerWaalsContact O-N 3.16Å
7P62.2Low52.4Low99 Ų99115.1 Ų115.164%0.64355%0.55SS**Hα-helixtrans-49.5-36.3177-26.433.2000113.5L9 R10 I11P7-L9 PolarHBondContact O-N 3.35Å; P7-R10 PolarHBondContact O-N 3.31Å; P7-I11 WeakPolarHBondContact O-CG1 3.33Å; P7-I11 PolarHBondContact O-N 3.07Å; P7-I11 VanDerWaalsContact O-N 3.13Å
8S56.2Low52.3Low78 Ų78113.9 Ų113.955%0.54555%0.551SS.*Hα-helixtrans-64.6-36.5176.256.10000113.5S6 L12S6-S8 PolarHBondContact O-N 3.46Å; S6-S8 VanDerWaalsContact O-N 3.08Å; S6-S8 PolarHBondContact OG-N 3.4Å; S6-S8 PolarHBondContact OG-OG 3.15Å; S8-L12 PolarHBondContact O-N 3.37Å; S8-L12 VanDerWaalsContact O-N 3.14Å
9L50.7Low51.8Low74 Ų74117.3 Ų117.339%0.38756%0.558SS.*Hα-helixtrans-73.4-33.5177.1-144.987.3000111.3F5 S6 P7 L12 I13F5-L9 HydrophobicContact CB-CB 4.46Å; F5-L9 HydrophobicContact CD1-CB 4.48Å; F5-L9 HydrophobicContact CD1-CD2 3.19Å; F5-L9 HydrophobicContact CD1-CG 4.39Å; F5-L9 HydrophobicContact CE1-CD2 3.52Å; F5-L9 HydrophobicContact CG-CD2 4.21Å; S6-L9 PolarHBondContact O-N 3.26Å; P7-L9 PolarHBondContact O-N 3.35Å; L9-L12 PolarHBondContact O-N 2.92Å; L9-I13 HydrophobicContact CD2-CD1 4.31Å; L9-I13 HydrophobicContact CG-CD1 4.48Å; L9-I13 WeakPolarHBondContact O-CB 3.36Å; L9-I13 WeakPolarHBondContact O-CD1 3.48Å; L9-I13 WeakPolarHBondContact O-CG1 3.35Å; L9-I13 PolarHBondContact O-N 3.31Å
10R56.8Low51.3Low132 Ų132113.7 Ų113.750%0.49854%0.544SS..Hα-helixtrans-61.9-46.6173.3-65.3-173.8-179.9-141.8-0.1110.9F5 S6 P7 L12 I13 Y14F5-R10 HydrophobicContact CB-CG 4.1Å; S6-R10 PolarHBondContact O-N 3.3Å; S6-R10 VanDerWaalsContact O-N 3.16Å; P7-R10 PolarHBondContact O-N 3.31Å; R10-L12 PolarHBondContact O-N 3.47Å; R10-I13 WeakPolarHBondContact O-CB 3.37Å; R10-I13 PolarHBondContact O-N 3.21Å; R10-Y14 HydrophobicContact CB-CD2 4.41Å; R10-Y14 HydrophobicContact CB-CE2 4.27Å; R10-Y14 WeakPolarHBondContact O-CD2 3.25Å; R10-Y14 PolarHBondContact O-N 3.11Å
11I56.9Low51.1Low79 Ų79112.9 Ų112.941%0.40554%0.537SS..Hα-helixtrans-62.2-42.7178-64.6163.9000111.3P7 Y14 L15P7-I11 WeakPolarHBondContact O-CG1 3.33Å; P7-I11 PolarHBondContact O-N 3.07Å; P7-I11 VanDerWaalsContact O-N 3.13Å; I11-Y14 PolarHBondContact O-N 2.93Å; I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 WeakPolarHBondContact O-CD1 3.49Å; I11-L15 WeakPolarHBondContact O-CG 3.27Å; I11-L15 PolarHBondContact O-N 3.32Å
12L52.1Low51.5Low57 Ų57108.7 Ų108.730%0.29851%0.512SS..Hα-helixtrans-61.6-44.6175.9-165.489.9000111.5S8 L9 R10 L15 I16S8-L12 PolarHBondContact O-N 3.37Å; S8-L12 VanDerWaalsContact O-N 3.14Å; L9-L12 PolarHBondContact O-N 2.92Å; R10-L12 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-I16 HydrophobicContact CD2-CD1 3.94Å; L12-I16 HydrophobicContact CG-CD1 3.89Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 2.89Å
13I55.4Low51.7Low57 Ų57105.3 Ų105.329%0.29250%0.5SS..Hα-helixtrans-58-51.3173.9-74.6167.9000109.6L9 R10 L15 I16 F17L9-I13 HydrophobicContact CD2-CD1 4.31Å; L9-I13 HydrophobicContact CG-CD1 4.48Å; L9-I13 WeakPolarHBondContact O-CB 3.36Å; L9-I13 WeakPolarHBondContact O-CD1 3.48Å; L9-I13 WeakPolarHBondContact O-CG1 3.35Å; L9-I13 PolarHBondContact O-N 3.31Å; R10-I13 WeakPolarHBondContact O-CB 3.37Å; R10-I13 PolarHBondContact O-N 3.21Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 3.4Å; I13-I16 PolarHBondContact O-N 2.92Å; I13-I16 VanDerWaalsContact O-N 3.17Å; I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.73Å; I13-F17 WeakPolarHBondContact O-CD2 3.47Å; I13-F17 PolarHBondContact O-N 3.48Å
14Y53.9Low51.3Low148 Ų148102.7 Ų102.758%0.5849%0.492SS*.Hα-helixtrans-58.3-40177.5-77.1-68.5000112.6R10 I11 F17 V18R10-Y14 HydrophobicContact CB-CD2 4.41Å; R10-Y14 HydrophobicContact CB-CE2 4.27Å; R10-Y14 WeakPolarHBondContact O-CD2 3.25Å; R10-Y14 PolarHBondContact O-N 3.11Å; I11-Y14 PolarHBondContact O-N 2.93Å; Y14-F17 PolarHBondContact O-N 3.17Å; Y14-V18 WeakPolarHBondContact O-CB 3.41Å; Y14-V18 WeakPolarHBondContact O-CG2 3.27Å; Y14-V18 PolarHBondContact O-N 3.44Å
15L54.2Low51.5Low53 Ų5397.5 Ų97.528%0.27746%0.464SS..Hα-helixtrans-68.8-39.2176.7-72.2158.8000112.8I11 L12 I13 F17 W19 P335I11-L15 HydrophobicContact CG2-CD1 3.85Å; I11-L15 WeakPolarHBondContact O-CD1 3.49Å; I11-L15 WeakPolarHBondContact O-CG 3.27Å; I11-L15 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 2.89Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 3.4Å; L15-F17 PolarHBondContact O-N 3.3Å; L15-W19 VanDerWaalsContact O-CB 3.26Å; L15-W19 WeakPolarHBondContact O-CB 3.41Å; L15-W19 PolarHBondContact O-N 3.27Å; L15-P335 HydrophobicContact CD1-CB 3.38Å; L15-P335 HydrophobicContact CD1-CG 3.13Å; L15-P335 HydrophobicContact CG-CG 4.45Å
16I55.8Low52.2Low99 Ų9994.8 Ų94.851%0.50846%0.458SS..Hα-helixtrans-65.9-28.1175.4-68.8166.3000111.2L12 I13 P20L12-I16 HydrophobicContact CD2-CD1 3.94Å; L12-I16 HydrophobicContact CG-CD1 3.89Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 2.89Å; I13-I16 PolarHBondContact O-N 2.92Å; I13-I16 VanDerWaalsContact O-N 3.17Å; I16-P20 WeakPolarHBondContact O-CD 3.48Å; I16-P20 WeakPolarHBondContact O-CG 3.07Å
17F49.8Very low52.6Low143 Ų14394.8 Ų94.863%0.62745%0.453SS*.Hα-helixtrans-95.5-38.1179.9-75.3-69.8000114.1I13 Y14 L15 P20 Y21I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.73Å; I13-F17 WeakPolarHBondContact O-CD2 3.47Å; I13-F17 PolarHBondContact O-N 3.48Å; Y14-F17 PolarHBondContact O-N 3.17Å; L15-F17 PolarHBondContact O-N 3.3Å; F17-P20 WeakPolarHBondContact O-CD 3.45Å; F17-Y21 PolarHBondContact O-N 2.83Å
18V50Low53.5Low93 Ų9392.8 Ų92.856%0.56444%0.437SS*.Hα-helixtrans-78.7-38.5-175.8176.40000112.1Y14 Y21 K22Y14-V18 WeakPolarHBondContact O-CB 3.41Å; Y14-V18 WeakPolarHBondContact O-CG2 3.27Å; Y14-V18 PolarHBondContact O-N 3.44Å; V18-Y21 PolarHBondContact O-N 2.9Å; V18-K22 PolarHBondContact O-N 3.41Å
19W43.5Very low54.8Low179 Ų17989.4 Ų89.468%0.67841%0.413SS*.Hα-helixtrans-63.8-46.5178.6-168.8-59.6000113.2L15 Y21 R23L15-W19 VanDerWaalsContact O-CB 3.26Å; L15-W19 WeakPolarHBondContact O-CB 3.41Å; L15-W19 PolarHBondContact O-N 3.27Å; W19-Y21 VanDerWaalsContact C-N 3.31Å; W19-Y21 PolarHBondContact O-N 2.86Å; W19-R23 PolarHBondContact O-N 3.24Å
20P40.8Very low56.4Low44 Ų4487.7 Ų87.729%0.28641%0.406SS..Hα-helixtrans-62.5-38.9174-1.13.2000111.7I16 F17 K22 R23 F24I16-P20 WeakPolarHBondContact O-CD 3.48Å; I16-P20 WeakPolarHBondContact O-CG 3.07Å; F17-P20 WeakPolarHBondContact O-CD 3.45Å; P20-K22 PolarHBondContact O-N 3.23Å; P20-R23 CarbonylContact O-C 3.56Å; P20-R23 WeakPolarHBondContact O-CA 3.38Å; P20-R23 WeakPolarHBondContact O-CB 3.42Å; P20-R23 PolarHBondContact O-N 3.44Å; P20-F24 VanDerWaalsContact C-CD2 3.48Å; P20-F24 HydrophobicContact CB-CD2 3.73Å; P20-F24 HydrophobicContact CB-CE2 3.56Å; P20-F24 WeakPolarHBondContact O-CD2 3.26Å; P20-F24 PolarHBondContact O-N 3.3Å
21Y47Very low57.8Low98 Ų9887.9 Ų87.938%0.38442%0.417SS..Hα-helixtrans-59-46.6-174.2-165.7-97.3000112.4F17 V18 W19 R23 F24 N25F17-Y21 PolarHBondContact O-N 2.83Å; V18-Y21 PolarHBondContact O-N 2.9Å; W19-Y21 VanDerWaalsContact C-N 3.31Å; W19-Y21 PolarHBondContact O-N 2.86Å; Y21-R23 PolarHBondContact O-N 3.4Å; Y21-F24 PolarHBondContact O-N 2.91Å; Y21-F24 VanDerWaalsContact O-N 3.09Å; Y21-N25 PolarHBondContact O-N 2.88Å
22K49.6Very low59Low122 Ų12287.3 Ų87.353%0.5342%0.415SS..Hα-helixtrans-64.6-28.4176-158.3172.4-174.2175.40112.8V18 P20V18-K22 PolarHBondContact O-N 3.41Å; P20-K22 PolarHBondContact O-N 3.23Å
23R46.6Very low60.3Low172 Ų17286.8 Ų86.865%0.64942%0.419SS*.Hα-helixtrans-78.7-29.9174.2-164.5174.9-178.5174.1-0.4112.5W19 P20 Y21 N27W19-R23 PolarHBondContact O-N 3.24Å; P20-R23 CarbonylContact O-C 3.56Å; P20-R23 WeakPolarHBondContact O-CA 3.38Å; P20-R23 WeakPolarHBondContact O-CB 3.42Å; P20-R23 PolarHBondContact O-N 3.44Å; Y21-R23 PolarHBondContact O-N 3.4Å; R23-N27 PolarHBondContact O-N 2.89Å
24F43.5Very low61.4Low121 Ų12190.1 Ų90.153%0.53144%0.438SS..Hα-helixtrans-65.3-42.6179.8-89.6-71.8000111.7P20 Y21 C26 N27 D28P20-F24 VanDerWaalsContact C-CD2 3.48Å; P20-F24 HydrophobicContact CB-CD2 3.73Å; P20-F24 HydrophobicContact CB-CE2 3.56Å; P20-F24 WeakPolarHBondContact O-CD2 3.26Å; P20-F24 PolarHBondContact O-N 3.3Å; Y21-F24 PolarHBondContact O-N 2.91Å; Y21-F24 VanDerWaalsContact O-N 3.09Å; F24-C26 VanDerWaalsContact C-N 3.35Å; F24-C26 PolarHBondContact O-N 2.92Å; F24-N27 WeakPolarHBondContact O-CA 3.47Å; F24-N27 WeakPolarHBondContact O-CB 3.49Å; F24-N27 PolarHBondContact O-N 3.41Å; F24-D28 PolarHBondContact O-N 2.99Å
25N52Low62.7Low30 Ų3084.7 Ų84.716%0.1642%0.418CS..Hα-helixtrans-62.3-36.8179.7-71.4-7.5000113.6Y21 N27 D28 E222Y21-N25 PolarHBondContact O-N 2.88Å; N25-N27 VanDerWaalsContact C-N 3.27Å; N25-N27 PolarHBondContact O-N 3.48Å; N25-D28 PolarHBondContact O-N 3.37Å; N25-E222 PolarHBondContact ND2-OE1 2.71Å
26C62.7Low63.6Low50 Ų5086.2 Ų86.234%0.33842%0.42SS..Hα-helixtrans-67.5-30.9174.1-71.40000112F24 C30F24-C26 VanDerWaalsContact C-N 3.35Å; F24-C26 PolarHBondContact O-N 2.92Å; C26-C30 PolarHBondContact O-SG 2.95Å; C26-C30 VanDerWaalsContact O-SG 3.41Å
27N65.8Low64.7Low62 Ų6287.4 Ų87.433%0.33242%0.424SS..Hα-helixtrans-75.1-27.6178-73-7.6000112.2R23 F24 N25 I29 C30 N31R23-N27 PolarHBondContact O-N 2.89Å; F24-N27 WeakPolarHBondContact O-CA 3.47Å; F24-N27 WeakPolarHBondContact O-CB 3.49Å; F24-N27 PolarHBondContact O-N 3.41Å; N25-N27 VanDerWaalsContact C-N 3.27Å; N25-N27 PolarHBondContact O-N 3.48Å; N27-I29 VanDerWaalsContact C-N 3.33Å; N27-I29 PolarHBondContact O-N 3Å; N27-C30 WeakPolarHBondContact O-CA 3.18Å; N27-C30 WeakPolarHBondContact O-CB 3.31Å; N27-C30 PolarHBondContact O-N 3.46Å; N27-N31 VanDerWaalsContact O-CG 3.32Å; N27-N31 PolarHBondContact O-N 3.39Å; N27-N31 PolarHBondContact O-ND2 3.36Å
28D80.4Confident66.4Low58 Ų5883.2 Ų83.231%0.3141%0.406SS..Hα-helixtrans-58.1-45.8178.8-72.1-8.3000111.5F24 N25 C30 N31 N32 L35 Y54F24-D28 PolarHBondContact O-N 2.99Å; N25-D28 PolarHBondContact O-N 3.37Å; D28-C30 VanDerWaalsContact C-N 3.28Å; D28-C30 PolarHBondContact O-N 3.32Å; D28-N31 PolarHBondContact O-N 2.89Å; D28-N32 WeakPolarHBondContact O-CB 3.17Å; D28-N32 PolarHBondContact O-N 3.06Å; D28-L35 HydrophobicContact CB-CD1 3.81Å; D28-Y54 WeakPolarHBondContact CB-OH 3.17Å; D28-Y54 PolarHBondContact OD2-OH 3.26Å
29I82.5Confident68.5Low7 Ų782.5 Ų82.54%0.03640%0.396CS..Hα-helixtrans-67.4-31.1176.7-61.5178.4000111.6N27 N31 L35 R36 Y54 I191 P200N27-I29 VanDerWaalsContact C-N 3.33Å; N27-I29 PolarHBondContact O-N 3Å; I29-N31 VanDerWaalsContact C-N 3.33Å; I29-L35 HydrophobicContact CG1-CB 4.2Å; I29-R36 HydrophobicContact CG2-CG 3.56Å; I29-Y54 HydrophobicContact CD1-CD1 3.88Å; I29-Y54 HydrophobicContact CD1-CE1 4.02Å; I29-Y54 HydrophobicContact CG1-CD1 4.21Å; I29-Y54 HydrophobicContact CG1-CE1 4.08Å; I29-I191 HydrophobicContact CB-CD1 4.11Å; I29-I191 HydrophobicContact CD1-CD1 3.65Å; I29-I191 HydrophobicContact CG1-CD1 4.41Å; I29-I191 HydrophobicContact CG2-CD1 4.18Å; I29-P200 HydrophobicContact CD1-CB 4.31Å; I29-P200 HydrophobicContact CD1-CG 3.98Å; I29-P200 HydrophobicContact CG2-CB 4.26Å; I29-P200 HydrophobicContact CG2-CG 4.07Å
30C85.8Confident70.9Confident37 Ų3776.1 Ų76.125%0.2538%0.375CS..Hα-helixtrans-68.3-34.5175.3-65.60000112.3C26 N27 D28 C193C26-C30 PolarHBondContact O-SG 2.95Å; C26-C30 VanDerWaalsContact O-SG 3.41Å; N27-C30 WeakPolarHBondContact O-CA 3.18Å; N27-C30 WeakPolarHBondContact O-CB 3.31Å; N27-C30 PolarHBondContact O-N 3.46Å; D28-C30 VanDerWaalsContact C-N 3.28Å; D28-C30 PolarHBondContact O-N 3.32Å; C30-C193 WeakPolarHBondContact CA-SG 3.5Å; C30-C193 HydrophobicContact CB-CB 3.7Å; C30-C193 WeakPolarHBondContact CB-SG 3.37Å; C30-C193 VanDerWaalsContact SG-CA 3.5Å; C30-C193 WeakPolarHBondContact SG-CB 3.2Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.79Å
31N85.2Confident73.5Confident136 Ų13676.1 Ų76.173%0.72737%0.374SS*.Hα-helixtrans-91.7-27.7-177-66-32.7000113.1N27 D28 I29N27-N31 VanDerWaalsContact O-CG 3.32Å; N27-N31 PolarHBondContact O-N 3.39Å; N27-N31 PolarHBondContact O-ND2 3.36Å; D28-N31 PolarHBondContact O-N 2.89Å; I29-N31 VanDerWaalsContact C-N 3.33Å
32N82.6Confident75.7Confident67 Ų6771.9 Ų71.936%0.35836%0.358SS..  trans-123.5100.9-177.4-170.9-16.8000110.5D28 D34 L35D28-N32 WeakPolarHBondContact O-CB 3.17Å; D28-N32 PolarHBondContact O-N 3.06Å; N32-D34 PolarHBondContact O-N 2.96Å; N32-D34 WeakPolarHBondContact OD1-CB 3.32Å; N32-D34 PolarHBondContact OD1-N 3.5Å; N32-L35 HydrophobicContact CB-CD1 3.91Å; N32-L35 HydrophobicContact CB-CG 3.96Å; N32-L35 PolarHBondContact O-N 3.28Å
33A79.1Confident77.8Confident46 Ų4668.6 Ų68.638%0.3835%0.346SS..G310 helixtrans-58.5-28.8179.300000113.6L35 R36A33-L35 VanDerWaalsContact C-N 3.32Å; A33-R36 VanDerWaalsContact CB-NH2 3.32Å; A33-R36 WeakPolarHBondContact O-CB 3.45Å; A33-R36 WeakPolarHBondContact O-CG 3.45Å; A33-R36 PolarHBondContact O-N 3.39Å; A33-R36 PolarHBondContact O-NE 2.88Å
34D78.8Confident80.1Confident128 Ų12864 Ų6468%0.68433%0.332SS*.G310 helixtrans-73.3-26.6-175-58.7-26.7000111.7N32 R36 H37 H38N32-D34 PolarHBondContact O-N 2.96Å; N32-D34 WeakPolarHBondContact OD1-CB 3.32Å; N32-D34 PolarHBondContact OD1-N 3.5Å; D34-R36 PolarHBondContact O-N 2.85Å; D34-R36 VanDerWaalsContact O-N 3.17Å; D34-H37 PolarHBondContact O-N 3.47Å; D34-H38 PolarHBondContact O-N 3.02Å
35L80.4Confident82.6Confident33 Ų3361.8 Ų61.817%0.17333%0.325CS..G310 helixtrans-64.8-18.9175.7-63.3-179.2000113D28 I29 N32 A33 H37 Y54D28-L35 HydrophobicContact CB-CD1 3.81Å; I29-L35 HydrophobicContact CG1-CB 4.2Å; N32-L35 HydrophobicContact CB-CD1 3.91Å; N32-L35 HydrophobicContact CB-CG 3.96Å; N32-L35 PolarHBondContact O-N 3.28Å; A33-L35 VanDerWaalsContact C-N 3.32Å; L35-H37 VanDerWaalsContact C-N 3.29Å; L35-H37 PolarHBondContact O-N 3.25Å; L35-Y54 HydrophobicContact CB-CD2 4.47Å; L35-Y54 HydrophobicContact CD1-CD2 4.29Å; L35-Y54 HydrophobicContact CD1-CE2 3.88Å; L35-Y54 HydrophobicContact CD2-CD2 3.9Å; L35-Y54 HydrophobicContact CD2-CE2 4.18Å; L35-Y54 HydrophobicContact CG-CD2 4.45Å
36R74.7Confident84.6Confident86 Ų8667.1 Ų67.133%0.32535%0.354SS..G310 helixtrans-66.6-30.4179.8-66.4-177.1-70.1173.8-3.4113.5I29 A33 D34 P200I29-R36 HydrophobicContact CG2-CG 3.56Å; A33-R36 VanDerWaalsContact CB-NH2 3.32Å; A33-R36 WeakPolarHBondContact O-CB 3.45Å; A33-R36 WeakPolarHBondContact O-CG 3.45Å; A33-R36 PolarHBondContact O-N 3.39Å; A33-R36 PolarHBondContact O-NE 2.88Å; D34-R36 PolarHBondContact O-N 2.85Å; D34-R36 VanDerWaalsContact O-N 3.17Å; R36-P200 HydrophobicContact CB-CB 4.22Å; R36-P200 HydrophobicContact CG-CB 4.23Å
37H78Confident86.2Confident124 Ų12467.7 Ų67.757%0.57436%0.356SS*.G310 helixtrans-125.118.9-178.9-57.8-51000111.4D34 L35 E39D34-H37 PolarHBondContact O-N 3.47Å; L35-H37 VanDerWaalsContact C-N 3.29Å; L35-H37 PolarHBondContact O-N 3.25Å; H37-E39 PolarHBondContact O-N 3.25Å; H37-E39 VanDerWaalsContact O-N 3.15Å
38H85.8Confident87.6Confident55 Ų5566.3 Ų66.326%0.25535%0.346SS..  trans-60.5121.3178.3177.177.5000109.8D34 H53 K251D34-H38 PolarHBondContact O-N 3.02Å; H38-H53 WeakPolarHBondContact O-CA 2.97Å; H38-H53 PolarHBondContact O-ND1 2.94Å; H38-K251 PolarHBondContact NE2-NZ 3.26Å
39E94Very high88.4Confident77 Ų7764.5 Ų64.536%0.3634%0.335SS..EExtended strand (participates in β ladder)trans-143.2132.1178.1178.3177.1-156.800108.2H37 V41 R49 L52 H53H37-E39 PolarHBondContact O-N 3.25Å; H37-E39 VanDerWaalsContact O-N 3.15Å; E39-V41 HydrophobicContact CG-CG2 4.17Å; E39-R49 IonicContact OE1-CZ 3.57Å; E39-R49 IonicContact OE1-NE 3.11Å; E39-R49 IonicContact OE1-NH2 2.66Å; E39-R49 PolarHBondContact OE1-NH2 3.25Å; E39-R49 IonicContact OE2-NH2 3.72Å; E39-L52 CarbonylContact C-O 3.56Å; E39-L52 WeakPolarHBondContact CA-O 3.49Å; E39-H53 VanDerWaalsContact CG-CE1 3.5Å; E39-H53 WeakPolarHBondContact CG-CE1 3.45Å; E39-H53 IonicContact OE1-CE1 3.96Å
40I93.9Very high89.1Confident46 Ų4664.2 Ų64.224%0.23633%0.334CS..EExtended strand (participates in β ladder)trans-121.5110.4167.6-54.7174.4000106.8I42 S51 L52 G249I40-I42 HydrophobicContact CB-CD1 4.46Å; I40-I42 HydrophobicContact CG2-CD1 3.83Å; I40-I42 PolarHBondContact O-N 3.32Å; I40-S51 CarbonylContact O-C 3.48Å; I40-S51 VanDerWaalsContact O-CA 3.29Å; I40-S51 WeakPolarHBondContact O-CA 3.42Å; I40-L52 PolarHBondContact N-O 3.29Å; I40-L52 PolarHBondContact O-N 2.9Å; I40-G249 WeakPolarHBondContact CD1-O 3.35Å
41V95.1Very high89.6Confident44 Ų4462.5 Ų62.527%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-77.3115174-177.10000108.7E39 E44 R49 K248E39-V41 HydrophobicContact CG-CG2 4.17Å; V41-E44 HydrophobicContact CG1-CB 3.89Å; V41-R49 HydrophobicContact CG1-CG 4.4Å; V41-K248 VanDerWaalsContact O-CE 3.26Å; V41-K248 WeakPolarHBondContact O-CE 3.2Å
42I94.2Very high90Very high8 Ų856 Ų564%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-86.3-46.3-177.2-52.8-60.8000110.2I40 Y50 L52 K248 G249 D267I40-I42 HydrophobicContact CB-CD1 4.46Å; I40-I42 HydrophobicContact CG2-CD1 3.83Å; I40-I42 PolarHBondContact O-N 3.32Å; I42-Y50 HydrophobicContact CB-CD1 3.92Å; I42-Y50 HydrophobicContact CG1-CD1 3.97Å; I42-Y50 HydrophobicContact CG1-CE1 4.27Å; I42-Y50 HydrophobicContact CG2-CD1 4.4Å; I42-Y50 PolarHBondContact N-O 3.3Å; I42-L52 HydrophobicContact CD1-CD1 3.86Å; I42-L52 HydrophobicContact CD1-CG 4.07Å; I42-L52 HydrophobicContact CG1-CD1 4.15Å; I42-L52 HydrophobicContact CG1-CG 3.89Å; I42-K248 HydrophobicContact CD1-CB 4.33Å; I42-K248 HydrophobicContact CD1-CG 4.29Å; I42-K248 HydrophobicContact CG2-CB 4.29Å; I42-K248 HydrophobicContact CG2-CD 4.34Å; I42-K248 WeakPolarHBondContact O-CD 3.32Å; I42-K248 WeakPolarHBondContact O-CE 3.48Å; I42-K248 PolarHBondContact O-NZ 2.86Å; I42-G249 VanDerWaalsContact CD1-CA 3.49Å; I42-D267 WeakPolarHBondContact CG2-O 3.15Å
43I93.8Very high90.6Very high53 Ų5353.4 Ų53.427%0.27227%0.273SS..EExtended strand (participates in β ladder)trans-142.5142.1175.3179.8164.5000108.9Y48 R49 Y50I43-Y48 HydrophobicContact CG2-CD1 3.92Å; I43-Y48 HydrophobicContact CG2-CE1 3.8Å; I43-R49 CarbonylContact O-C 3.6Å; I43-R49 VanDerWaalsContact O-CA 3.3Å; I43-R49 WeakPolarHBondContact O-CA 3.21Å; I43-Y50 PolarHBondContact N-O 2.91Å; I43-Y50 PolarHBondContact O-N 3.16Å
44E94.9Very high91.1Very high77 Ų7753.7 Ų53.736%0.3626%0.264SS..EExtended strand (participates in β ladder)trans-149.3124.7174.1-176.9168.3163.200109V41 Y48 R49 K207 W208V41-E44 HydrophobicContact CG1-CB 3.89Å; E44-Y48 CarbonylContact C-O 3.54Å; E44-Y48 WeakPolarHBondContact CA-O 3.37Å; E44-R49 HydrophobicContact CB-CG 4.35Å; E44-R49 HydrophobicContact CG-CB 4.34Å; E44-R49 HydrophobicContact CG-CG 4.33Å; E44-R49 IonicContact OE1-NH1 3.67Å; E44-R49 PolarHBondContact OE1-NH1 3.31Å; E44-R49 IonicContact OE2-CZ 3.72Å; E44-R49 VanDerWaalsContact OE2-CZ 3.29Å; E44-R49 IonicContact OE2-NE 3.19Å; E44-R49 IonicContact OE2-NH1 2.68Å; E44-R49 PolarHBondContact OE2-NH1 3.08Å; E44-K207 WeakPolarHBondContact OE1-CE 3.22Å; E44-K207 IonicContact OE1-NZ 3.87Å; E44-K207 PolarHBondContact OE1-NZ 2.99Å; E44-W208 HydrophobicContact CG-CZ2 4.13Å
45N94.4Very high91.6Very high74 Ų7449.5 Ų49.540%0.39624%0.242SC..  trans-134.4-169.9167.667.444.5000108.8T47 Y48 W208N45-T47 PolarHBondContact O-N 2.92Å; N45-T47 WeakPolarHBondContact OD1-CA 3.42Å; N45-T47 PolarHBondContact OD1-N 3.49Å; N45-T47 PolarHBondContact OD1-OG1 2.87Å; N45-T47 VanDerWaalsContact OD1-OG1 3.05Å; N45-Y48 PolarHBondContact N-O 3.13Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.47Å; N45-Y48 PolarHBondContact OD1-N 3.14Å; N45-W208 WeakPolarHBondContact O-CH2 3.26Å; N45-W208 WeakPolarHBondContact O-CZ2 3.43Å
46D94.1Very high92.3Very high141 Ų14148 Ų4875%0.75423%0.234SC*.SBendtrans-69.8-15-175.5-66.9-27000115.1R62D46-R62 WeakPolarHBondContact O-CD 3.39Å; D46-R62 PolarHBondContact O-NH1 3.29Å
47T95.8Very high93.3Very high62 Ų6244.2 Ų44.238%0.3822%0.221SC..SBendtrans-125.7-15-173.1620000114.2N45 Q61 R62N45-T47 PolarHBondContact O-N 2.92Å; N45-T47 WeakPolarHBondContact OD1-CA 3.42Å; N45-T47 PolarHBondContact OD1-N 3.49Å; N45-T47 PolarHBondContact OD1-OG1 2.87Å; N45-T47 VanDerWaalsContact OD1-OG1 3.05Å; T47-Q61 CarbonylContact O-C 3.38Å; T47-R62 PolarHBondContact O-N 3.34Å
48Y96.3Very high94.2Very high34 Ų3438.3 Ų38.313%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-140.7135.3-171.9-165.5-98.1000110.9I43 E44 N45 R59 I60 Q61 D267I43-Y48 HydrophobicContact CG2-CD1 3.92Å; I43-Y48 HydrophobicContact CG2-CE1 3.8Å; E44-Y48 CarbonylContact C-O 3.54Å; E44-Y48 WeakPolarHBondContact CA-O 3.37Å; N45-Y48 PolarHBondContact N-O 3.13Å; N45-Y48 WeakPolarHBondContact OD1-CB 3.47Å; N45-Y48 PolarHBondContact OD1-N 3.14Å; Y48-R59 HydrophobicContact CE2-CG 3.93Å; Y48-R59 WeakPolarHBondContact OH-CD 3.18Å; Y48-R59 WeakPolarHBondContact OH-CG 3.13Å; Y48-R59 PolarHBondContact OH-NE 3.32Å; Y48-I60 CarbonylContact C-O 3.59Å; Y48-I60 WeakPolarHBondContact CA-O 3.42Å; Y48-Q61 HydrophobicContact CD2-CG 3.62Å; Y48-Q61 HydrophobicContact CE2-CG 3.49Å; Y48-Q61 VanDerWaalsContact CE2-CG 3.49Å; Y48-D267 WeakPolarHBondContact CE1-OD1 3.2Å; Y48-D267 VanDerWaalsContact CZ-OD1 3.27Å; Y48-D267 PolarHBondContact OH-OD1 2.98Å; Y48-D267 PolarHBondContact OH-OD2 3.42Å; Y48-D267 VanDerWaalsContact OH-OD2 3.05Å
49R97Very high94.8Very high19 Ų1936.1 Ų36.17%0.07218%0.183CC..EExtended strand (participates in β ladder)trans-140.9133.9168.6176175.3172.6144.8-8.8109.9E39 V41 I43 E44 R59 I60 W208E39-R49 IonicContact OE1-CZ 3.57Å; E39-R49 IonicContact OE1-NE 3.11Å; E39-R49 IonicContact OE1-NH2 2.66Å; E39-R49 PolarHBondContact OE1-NH2 3.25Å; E39-R49 IonicContact OE2-NH2 3.72Å; V41-R49 HydrophobicContact CG1-CG 4.4Å; I43-R49 CarbonylContact O-C 3.6Å; I43-R49 VanDerWaalsContact O-CA 3.3Å; I43-R49 WeakPolarHBondContact O-CA 3.21Å; E44-R49 HydrophobicContact CB-CG 4.35Å; E44-R49 HydrophobicContact CG-CB 4.34Å; E44-R49 HydrophobicContact CG-CG 4.33Å; E44-R49 IonicContact OE1-NH1 3.67Å; E44-R49 PolarHBondContact OE1-NH1 3.31Å; E44-R49 IonicContact OE2-CZ 3.72Å; E44-R49 VanDerWaalsContact OE2-CZ 3.29Å; E44-R49 IonicContact OE2-NE 3.19Å; E44-R49 IonicContact OE2-NH1 2.68Å; E44-R49 PolarHBondContact OE2-NH1 3.08Å; R49-R59 CarbonylContact O-C 3.54Å; R49-R59 WeakPolarHBondContact O-CA 3.47Å; R49-I60 HydrophobicContact CB-CB 4.19Å; R49-I60 PolarHBondContact N-O 3.34Å; R49-I60 PolarHBondContact O-N 3.24Å; R49-W208 HydrophobicContact CB-CH2 4.11Å; R49-W208 HydrophobicContact CB-CZ2 3.64Å
50Y96.7Very high95Very high2 Ų232.5 Ų32.51%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-128.1126.9171.3-177.6-111.2000109.8I42 I43 L52 S57 M58 R59 D267I42-Y50 HydrophobicContact CB-CD1 3.92Å; I42-Y50 HydrophobicContact CG1-CD1 3.97Å; I42-Y50 HydrophobicContact CG1-CE1 4.27Å; I42-Y50 HydrophobicContact CG2-CD1 4.4Å; I42-Y50 PolarHBondContact N-O 3.3Å; I43-Y50 PolarHBondContact N-O 2.91Å; I43-Y50 PolarHBondContact O-N 3.16Å; Y50-L52 HydrophobicContact CE1-CD2 3.88Å; Y50-L52 HydrophobicContact CE1-CG 4.45Å; Y50-S57 WeakPolarHBondContact OH-CB 3.26Å; Y50-M58 WeakPolarHBondContact CA-O 3.08Å; Y50-R59 HydrophobicContact CD2-CB 4.06Å; Y50-R59 HydrophobicContact CD2-CG 4.48Å; Y50-D267 HydrophobicContact CD1-CB 3.6Å; Y50-D267 HydrophobicContact CD2-CB 4.46Å; Y50-D267 HydrophobicContact CE1-CB 3.8Å; Y50-D267 HydrophobicContact CG-CB 3.95Å
51S96.5Very high95.1Very high0 Ų032.2 Ų32.20%016%0.164CC..EExtended strand (participates in β ladder)trans-134146.3-179.455.30000111.7I40 H53 S57 M58I40-S51 CarbonylContact O-C 3.48Å; I40-S51 VanDerWaalsContact O-CA 3.29Å; I40-S51 WeakPolarHBondContact O-CA 3.42Å; S51-H53 PolarHBondContact OG-NE2 3.48Å; S51-H53 VanDerWaalsContact OG-NE2 3.09Å; S51-S57 CarbonylContact O-C 3.57Å; S51-S57 WeakPolarHBondContact O-CA 2.82Å; S51-M58 PolarHBondContact N-O 3.41Å; S51-M58 PolarHBondContact O-N 3.05Å; S51-M58 VanDerWaalsContact OG-CE 3.29Å; S51-M58 WeakPolarHBondContact OG-CE 3.43Å
52L94.9Very high95.2Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-102.5128.7173.2-60.3179.1000109.5E39 I40 I42 Y50 I220 C246 I253E39-L52 CarbonylContact C-O 3.56Å; E39-L52 WeakPolarHBondContact CA-O 3.49Å; I40-L52 PolarHBondContact N-O 3.29Å; I40-L52 PolarHBondContact O-N 2.9Å; I42-L52 HydrophobicContact CD1-CD1 3.86Å; I42-L52 HydrophobicContact CD1-CG 4.07Å; I42-L52 HydrophobicContact CG1-CD1 4.15Å; I42-L52 HydrophobicContact CG1-CG 3.89Å; Y50-L52 HydrophobicContact CE1-CD2 3.88Å; Y50-L52 HydrophobicContact CE1-CG 4.45Å; L52-I220 HydrophobicContact CD2-CD1 4.25Å; L52-C246 HydrophobicContact CD1-CB 4.49Å; L52-I253 HydrophobicContact CD1-CD1 3.86Å; L52-I253 HydrophobicContact CD2-CD1 3.74Å; L52-I253 HydrophobicContact CG-CD1 4.47Å
53H93.8Very high95.3Very high12 Ų1239.4 Ų39.46%0.05619%0.194CC..EExtended strand (participates in β ladder)trans-106.5-173.5170.5-56.5-86.3000109.6H38 E39 S51 Y56 I202 K251H38-H53 WeakPolarHBondContact O-CA 2.97Å; H38-H53 PolarHBondContact O-ND1 2.94Å; E39-H53 VanDerWaalsContact CG-CE1 3.5Å; E39-H53 WeakPolarHBondContact CG-CE1 3.45Å; E39-H53 IonicContact OE1-CE1 3.96Å; S51-H53 PolarHBondContact OG-NE2 3.48Å; S51-H53 VanDerWaalsContact OG-NE2 3.09Å; H53-Y56 CarbonylContact C-O 3.5Å; H53-Y56 VanDerWaalsContact CA-O 3.31Å; H53-Y56 WeakPolarHBondContact CA-O 3.34Å; H53-Y56 VanDerWaalsContact CB-O 3.24Å; H53-Y56 WeakPolarHBondContact CB-O 3.42Å; H53-Y56 PolarHBondContact N-O 2.85Å; H53-I202 HydrophobicContact CB-CD1 3.6Å; H53-I202 HydrophobicContact CB-CG1 4.01Å; H53-I202 VanDerWaalsContact CE1-CG2 3.46Å; H53-I202 WeakPolarHBondContact CE1-CG2 3.43Å; H53-I202 WeakPolarHBondContact NE2-CG2 3.33Å; H53-K251 PolarHBondContact O-NZ 3.27Å
54Y89.5Confident95.4Very high53 Ų5340.1 Ų40.121%0.20820%0.197CC..SBendtrans-65.3-48.8-178.5-178-106.9000112.3D28 I29 L35D28-Y54 WeakPolarHBondContact CB-OH 3.17Å; D28-Y54 PolarHBondContact OD2-OH 3.26Å; I29-Y54 HydrophobicContact CD1-CD1 3.88Å; I29-Y54 HydrophobicContact CD1-CE1 4.02Å; I29-Y54 HydrophobicContact CG1-CD1 4.21Å; I29-Y54 HydrophobicContact CG1-CE1 4.08Å; L35-Y54 HydrophobicContact CB-CD2 4.47Å; L35-Y54 HydrophobicContact CD1-CD2 4.29Å; L35-Y54 HydrophobicContact CD1-CE2 3.88Å; L35-Y54 HydrophobicContact CD2-CD2 3.9Å; L35-Y54 HydrophobicContact CD2-CE2 4.18Å; L35-Y54 HydrophobicContact CG-CD2 4.45Å
55N90.8Very high95.2Very high40 Ų4041.1 Ų41.121%0.21421%0.212CC..SBendtrans-111.6-8.3-176.4-68.7-37.7000114.5Y91 I220N55-Y91 HydrophobicContact CB-CD1 3.96Å; N55-Y91 HydrophobicContact CB-CE1 4.11Å; N55-I220 PolarHBondContact O-N 3.43Å
56Y94.9Very high94.7Very high2 Ų239.8 Ų39.81%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-141.9152.4-171.9-81-100.1000110.3H53 Y91 I187 I202 F217 E218 A219 I220H53-Y56 CarbonylContact C-O 3.5Å; H53-Y56 VanDerWaalsContact CA-O 3.31Å; H53-Y56 WeakPolarHBondContact CA-O 3.34Å; H53-Y56 VanDerWaalsContact CB-O 3.24Å; H53-Y56 WeakPolarHBondContact CB-O 3.42Å; H53-Y56 PolarHBondContact N-O 2.85Å; Y56-Y91 HydrophobicContact CD2-CD1 4.13Å; Y56-Y91 HydrophobicContact CD2-CD2 4.38Å; Y56-Y91 AromaticContact CD2-CE1 3.81Å; Y56-Y91 HydrophobicContact CD2-CE1 3.81Å; Y56-Y91 HydrophobicContact CD2-CE2 4.09Å; Y56-Y91 HydrophobicContact CD2-CG 4.41Å; Y56-Y91 AromaticContact CD2-CZ 3.8Å; Y56-Y91 AromaticContact CE2-CD1 3.7Å; Y56-Y91 HydrophobicContact CE2-CD1 3.7Å; Y56-Y91 AromaticContact CE2-CD2 3.44Å; Y56-Y91 HydrophobicContact CE2-CD2 3.44Å; Y56-Y91 VanDerWaalsContact CE2-CD2 3.44Å; Y56-Y91 AromaticContact CE2-CE1 3.76Å; Y56-Y91 HydrophobicContact CE2-CE1 3.76Å; Y56-Y91 AromaticContact CE2-CE2 3.5Å; Y56-Y91 HydrophobicContact CE2-CE2 3.5Å; Y56-Y91 AromaticContact CE2-CG 3.55Å; Y56-Y91 HydrophobicContact CE2-CG 3.55Å; Y56-Y91 AromaticContact CE2-CZ 3.67Å; Y56-Y91 AromaticContact CZ-CD2 3.95Å; Y56-Y91 PolarHBondContact OH-N 3.16Å; Y56-I187 HydrophobicContact CD1-CD1 3.96Å; Y56-I187 HydrophobicContact CD2-CD1 4.33Å; Y56-I187 HydrophobicContact CE1-CD1 4.12Å; Y56-I187 HydrophobicContact CG-CD1 4.08Å; Y56-I202 HydrophobicContact CD2-CD1 4.43Å; Y56-I202 HydrophobicContact CG-CD1 4.21Å; Y56-F217 HydrophobicContact CD1-CB 3.9Å; Y56-F217 HydrophobicContact CE1-CB 4.37Å; Y56-E218 CarbonylContact C-O 3.54Å; Y56-E218 WeakPolarHBondContact CA-O 3.42Å; Y56-E218 WeakPolarHBondContact CD1-O 3.42Å; Y56-A219 HydrophobicContact CD1-CB 4.4Å; Y56-A219 HydrophobicContact CE1-CB 4.01Å; Y56-I220 VanDerWaalsContact C-CD1 3.46Å; Y56-I220 WeakPolarHBondContact O-CD1 3.01Å
57S95.2Very high94.1Very high6 Ų637.3 Ų37.34%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-94.5153.2156.259.90000109.4Y50 S51 F217 E218Y50-S57 WeakPolarHBondContact OH-CB 3.26Å; S51-S57 CarbonylContact O-C 3.57Å; S51-S57 WeakPolarHBondContact O-CA 2.82Å; S57-F217 WeakPolarHBondContact O-CA 3.36Å; S57-E218 PolarHBondContact N-O 2.88Å; S57-E218 PolarHBondContact O-N 2.86Å; S57-E218 VanDerWaalsContact O-N 3.09Å; S57-E218 PolarHBondContact OG-O 3.18Å
58M97.6Very high93.6Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-124122.7171.9179.3179.962.200108.5Y50 S51 I60 I202 V204 V215 E216 F217Y50-M58 WeakPolarHBondContact CA-O 3.08Å; S51-M58 PolarHBondContact N-O 3.41Å; S51-M58 PolarHBondContact O-N 3.05Å; S51-M58 VanDerWaalsContact OG-CE 3.29Å; S51-M58 WeakPolarHBondContact OG-CE 3.43Å; M58-I60 HydrophobicContact CE-CD1 4.05Å; M58-I60 HydrophobicContact CG-CG1 4.19Å; M58-I60 HydrophobicContact SD-CD1 4.18Å; M58-I60 HydrophobicContact SD-CG1 4.38Å; M58-I202 HydrophobicContact SD-CG2 4.14Å; M58-V204 HydrophobicContact SD-CG2 4.37Å; M58-V215 HydrophobicContact CG-CG1 3.85Å; M58-V215 HydrophobicContact SD-CG1 4.13Å; M58-E216 WeakPolarHBondContact CA-O 3.49Å; M58-F217 HydrophobicContact CB-CD1 4.07Å; M58-F217 HydrophobicContact CB-CE1 4.05Å; M58-F217 HydrophobicContact CG-CD1 4.09Å; M58-F217 HydrophobicContact CG-CE1 3.7Å; M58-F217 HydrophobicContact CG-CZ 4.28Å; M58-F217 HydrophobicContact SD-CE1 3.6Å; M58-F217 VanDerWaalsContact SD-CE1 3.6Å; M58-F217 HydrophobicContact SD-CZ 3.97Å
59R97.2Very high92.8Very high9 Ų936.7 Ų36.73%0.03420%0.198CC..EExtended strand (participates in β ladder)trans-110132.9171.6-174.1-179.5-66.91161.2109.1Y48 R49 Y50 Q61 V215 E216 D267Y48-R59 HydrophobicContact CE2-CG 3.93Å; Y48-R59 WeakPolarHBondContact OH-CD 3.18Å; Y48-R59 WeakPolarHBondContact OH-CG 3.13Å; Y48-R59 PolarHBondContact OH-NE 3.32Å; R49-R59 CarbonylContact O-C 3.54Å; R49-R59 WeakPolarHBondContact O-CA 3.47Å; Y50-R59 HydrophobicContact CD2-CB 4.06Å; Y50-R59 HydrophobicContact CD2-CG 4.48Å; R59-Q61 HydrophobicContact CG-CG 4.18Å; R59-V215 CarbonylContact O-C 3.58Å; R59-V215 VanDerWaalsContact O-CA 3.29Å; R59-V215 WeakPolarHBondContact O-CA 3.33Å; R59-E216 HydrophobicContact CB-CB 4.46Å; R59-E216 PolarHBondContact N-O 3.08Å; R59-E216 IonicContact NH1-OE2 2.95Å; R59-E216 PolarHBondContact NH1-OE2 3.2Å; R59-E216 PolarHBondContact O-N 2.86Å; R59-D267 IonicContact CZ-OD2 2.81Å; R59-D267 IonicContact NE-OD2 2.66Å; R59-D267 PolarHBondContact NE-OD2 2.93Å; R59-D267 VanDerWaalsContact NE-OD2 3.11Å; R59-D267 IonicContact NH2-OD2 3.74Å; R59-D267 PolarHBondContact NH2-OD2 3.17Å
60I98Very high91.8Very high0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-122.9127175.5-51.5-178.1000108.1Y48 R49 M58 V204 W208 T213 L214 V215Y48-I60 CarbonylContact C-O 3.59Å; Y48-I60 WeakPolarHBondContact CA-O 3.42Å; R49-I60 HydrophobicContact CB-CB 4.19Å; R49-I60 PolarHBondContact N-O 3.34Å; R49-I60 PolarHBondContact O-N 3.24Å; M58-I60 HydrophobicContact CE-CD1 4.05Å; M58-I60 HydrophobicContact CG-CG1 4.19Å; M58-I60 HydrophobicContact SD-CD1 4.18Å; M58-I60 HydrophobicContact SD-CG1 4.38Å; I60-V204 HydrophobicContact CD1-CG1 4.24Å; I60-W208 HydrophobicContact CB-CD2 4.44Å; I60-W208 HydrophobicContact CB-CE3 4.32Å; I60-W208 HydrophobicContact CD1-CB 4.01Å; I60-W208 HydrophobicContact CD1-CD2 4.22Å; I60-W208 HydrophobicContact CD1-CG 3.79Å; I60-W208 HydrophobicContact CG2-CB 4.05Å; I60-W208 HydrophobicContact CG2-CD2 3.74Å; I60-W208 HydrophobicContact CG2-CE3 3.38Å; I60-W208 HydrophobicContact CG2-CG 4.04Å; I60-W208 HydrophobicContact CG2-CZ3 4.02Å; I60-T213 HydrophobicContact CG2-CG2 3.5Å; I60-L214 CarbonylContact C-O 3.54Å; I60-L214 WeakPolarHBondContact CA-O 3.34Å; I60-V215 HydrophobicContact CG1-CG1 4.18Å; I60-V215 HydrophobicContact CG1-CG2 4.16Å; I60-V215 HydrophobicContact CG2-CG2 4.21Å
61Q97.3Very high91.1Very high41 Ų4148 Ų4819%0.19226%0.263CS..EExtended strand (participates in β ladder)trans-130.3127.7-179.8-71.3173.3-99.200110T47 Y48 R59 Q64 T213 L214T47-Q61 CarbonylContact O-C 3.38Å; Y48-Q61 HydrophobicContact CD2-CG 3.62Å; Y48-Q61 HydrophobicContact CE2-CG 3.49Å; Y48-Q61 VanDerWaalsContact CE2-CG 3.49Å; R59-Q61 HydrophobicContact CG-CG 4.18Å; Q61-Q64 HydrophobicContact CB-CG 3.66Å; Q61-Q64 WeakPolarHBondContact O-CG 3.08Å; Q61-T213 CarbonylContact O-C 3.59Å; Q61-T213 WeakPolarHBondContact O-CA 3.41Å; Q61-L214 PolarHBondContact N-O 3.36Å; Q61-L214 PolarHBondContact O-N 3.28Å
62R96.9Very high90.6Very high79 Ų7951.6 Ų51.630%0.29828%0.279SS..SBendtrans-90.1168.1171.3-68.2-174.569.7-151.9-5.7111.7D46 T47 Q64 W208 G212 T213D46-R62 WeakPolarHBondContact O-CD 3.39Å; D46-R62 PolarHBondContact O-NH1 3.29Å; T47-R62 PolarHBondContact O-N 3.34Å; R62-Q64 PolarHBondContact O-N 3.5Å; R62-Q64 PolarHBondContact O-NE2 3.44Å; R62-W208 HydrophobicContact CG-CE3 4.02Å; R62-W208 HydrophobicContact CG-CZ3 3.77Å; R62-G212 CarbonylContact C-O 3.58Å; R62-T213 HydrophobicContact CG-CG2 4.23Å
63N95.3Very high90.4Very high123 Ų12352.7 Ų52.766%0.65828%0.284SS*.SBendtrans58.235-180-50.2-34.4000112.5G212N63-G212 PolarHBondContact N-O 3.28Å
64Q95.5Very high90.4Very high68 Ų6856.4 Ų56.432%0.31830%0.299SS..PPolyproline II helixtrans-95.1147.9175.8-57.2-54.3-60.300110.1Q61 R62 Y170 G212 L214Q61-Q64 HydrophobicContact CB-CG 3.66Å; Q61-Q64 WeakPolarHBondContact O-CG 3.08Å; R62-Q64 PolarHBondContact O-N 3.5Å; R62-Q64 PolarHBondContact O-NE2 3.44Å; Q64-Y170 HydrophobicContact CB-CE2 4.31Å; Q64-Y170 VanDerWaalsContact O-CE2 3.28Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.28Å; Q64-Y170 PolarHBondContact O-OH 3.35Å; Q64-G212 PolarHBondContact N-O 2.91Å; Q64-G212 WeakPolarHBondContact O-CA 3.35Å; Q64-L214 HydrophobicContact CB-CB 3.9Å; Q64-L214 HydrophobicContact CG-CB 3.81Å
65S91.7Very high90.5Very high98 Ų9858.1 Ų58.169%0.68531%0.307SS*.PPolyproline II helixtrans-91.3155.2170.952.50000111.3S67 Y170S65-S67 PolarHBondContact O-N 2.97Å; S65-Y170 WeakPolarHBondContact CA-OH 3.42Å
66Q83.8Confident90.5Very high46 Ų4657 Ų5722%0.21530%0.301CS..PPolyproline II helixtrans-62.2127.7169.3-179.272.7-37.100109.2V68 Q141 T158 Y170Q66-V68 WeakPolarHBondContact CG-O 3.37Å; Q66-Q141 VanDerWaalsContact NE2-NE2 3.2Å; Q66-T158 PolarHBondContact NE2-OG1 3.3Å; Q66-Y170 HydrophobicContact CB-CD1 3.99Å; Q66-Y170 HydrophobicContact CB-CE1 3.57Å; Q66-Y170 HydrophobicContact CG-CD1 4.36Å; Q66-Y170 HydrophobicContact CG-CE1 4.38Å; Q66-Y170 VanDerWaalsContact N-CZ 3.27Å; Q66-Y170 PolarHBondContact N-OH 3.15Å
67S81Confident90Very high89 Ų8966.5 Ų66.562%0.62234%0.338SS*.SBendtrans-82.8-18.5-176.555.60000114S65S65-S67 PolarHBondContact O-N 2.97Å
68V85.7Confident89.5Confident15 Ų1571 Ų719%0.09136%0.362CS..SBendtrans-112.2122.3-174.9-169.70000111.1Q66 H72 F73 L132 L137 L160Q66-V68 WeakPolarHBondContact CG-O 3.37Å; V68-H72 HydrophobicContact CG1-CB 4.3Å; V68-F73 HydrophobicContact CB-CE2 3.93Å; V68-F73 HydrophobicContact CB-CZ 4.18Å; V68-F73 HydrophobicContact CG1-CD2 4.41Å; V68-F73 HydrophobicContact CG1-CE2 3.53Å; V68-F73 HydrophobicContact CG1-CZ 3.97Å; V68-L132 HydrophobicContact CG1-CD1 4.37Å; V68-L132 HydrophobicContact CG1-CD2 3.93Å; V68-L132 HydrophobicContact CG2-CD2 4.37Å; V68-L137 HydrophobicContact CG2-CD2 3.51Å; V68-L160 HydrophobicContact CG2-CD1 3.78Å; V68-L160 HydrophobicContact CG2-CD2 4.09Å
69P79.7Confident89Confident68 Ų6875.4 Ų75.444%0.44238%0.381SS..  trans-64.2150174.2-17.229.7000112.7E71 H72P69-E71 VanDerWaalsContact C-N 3.28Å; P69-E71 HydrophobicContact CB-CG 4.25Å; P69-E71 PolarHBondContact O-N 3.46Å; P69-H72 PolarHBondContact O-N 3.4Å
70S75.2Confident88.8Confident98 Ų9878.3 Ų78.369%0.68539%0.392SS*.G310 helixtrans-64.9-26.3-175.654.20000114.4H72 F73S70-H72 PolarHBondContact O-N 3.31Å; S70-F73 PolarHBondContact O-N 3.49Å; S70-F73 VanDerWaalsContact O-N 3.16Å
71E81.9Confident88.7Confident161 Ų16183.3 Ų83.375%0.75241%0.411SS*.G310 helixtrans-65-19.1-178.266.2-171.3163.300114.4P69 F73P69-E71 VanDerWaalsContact C-N 3.28Å; P69-E71 HydrophobicContact CB-CG 4.25Å; P69-E71 PolarHBondContact O-N 3.46Å; E71-F73 VanDerWaalsContact C-N 3.29Å
72H87.2Confident88.5Confident75 Ų7581.5 Ų81.535%0.34740%0.403SS..G310 helixtrans-82.8-8178.6-66.4-98.5000113.3V68 P69 S70 L132 E134V68-H72 HydrophobicContact CG1-CB 4.3Å; P69-H72 PolarHBondContact O-N 3.4Å; S70-H72 PolarHBondContact O-N 3.31Å; H72-L132 HydrophobicContact CB-CD1 3.41Å; H72-L132 VanDerWaalsContact CB-CD1 3.41Å; H72-L132 WeakPolarHBondContact O-CD1 3.03Å; H72-E134 IonicContact CE1-OE1 3.44Å; H72-E134 IonicContact CG-OE1 2.71Å; H72-E134 IonicContact ND1-OE1 2.64Å; H72-E134 PolarHBondContact ND1-OE1 3.24Å
73F91.2Very high88.5Confident24 Ų2484.3 Ų84.311%0.10541%0.414CS..  trans-99.3141.3-179.1-66-93.5000111.9V68 S70 E71 V130 V131 L132 Q141 T158 L160V68-F73 HydrophobicContact CB-CE2 3.93Å; V68-F73 HydrophobicContact CB-CZ 4.18Å; V68-F73 HydrophobicContact CG1-CD2 4.41Å; V68-F73 HydrophobicContact CG1-CE2 3.53Å; V68-F73 HydrophobicContact CG1-CZ 3.97Å; S70-F73 PolarHBondContact O-N 3.49Å; S70-F73 VanDerWaalsContact O-N 3.16Å; E71-F73 VanDerWaalsContact C-N 3.29Å; F73-V130 HydrophobicContact CB-CB 3.78Å; F73-V130 HydrophobicContact CB-CG2 3.55Å; F73-V130 HydrophobicContact CD1-CB 4.43Å; F73-V130 HydrophobicContact CD1-CG2 3.75Å; F73-V130 HydrophobicContact CG-CB 4.47Å; F73-V130 HydrophobicContact CG-CG2 3.8Å; F73-V131 WeakPolarHBondContact CA-O 3.46Å; F73-L132 HydrophobicContact CD1-CB 3.68Å; F73-L132 HydrophobicContact CE1-CB 3.54Å; F73-L132 HydrophobicContact CG-CB 4.36Å; F73-L132 HydrophobicContact CZ-CB 4.12Å; F73-L132 HydrophobicContact CZ-CD2 4.37Å; F73-Q141 HydrophobicContact CD1-CB 4.38Å; F73-Q141 HydrophobicContact CE1-CB 4.05Å; F73-Q141 HydrophobicContact CZ-CB 4.45Å; F73-T158 HydrophobicContact CZ-CG2 4.42Å; F73-L160 HydrophobicContact CZ-CD2 4.5Å
74Y92.1Very high88.5Confident90 Ų9079.5 Ų79.535%0.35339%0.39SS..EExtended strand (participates in β ladder)trans-119.8148.5171.161.2-89.3000111.5I76 Y80 V130 V131Y74-I76 HydrophobicContact CD2-CG2 4.46Å; Y74-I76 HydrophobicContact CE2-CG2 4.19Å; Y74-Y80 HydrophobicContact CE2-CE2 4.26Å; Y74-Y80 WeakPolarHBondContact OH-CE1 3.46Å; Y74-Y80 VanDerWaalsContact OH-CZ 3.27Å; Y74-Y80 PolarHBondContact OH-OH 2.74Å; Y74-V130 CarbonylContact O-C 3.56Å; Y74-V130 VanDerWaalsContact O-CA 3.25Å; Y74-V130 WeakPolarHBondContact O-CA 3.35Å; Y74-V131 WeakPolarHBondContact CD1-O 3.42Å; Y74-V131 HydrophobicContact CE1-CB 4.41Å; Y74-V131 HydrophobicContact CE1-CG1 4.33Å; Y74-V131 WeakPolarHBondContact CE1-O 3.35Å; Y74-V131 HydrophobicContact CE2-CB 4.16Å; Y74-V131 PolarHBondContact N-O 3.46Å; Y74-V131 PolarHBondContact O-N 3.36Å
75K92.3Very high88.5Confident89 Ų8984 Ų8439%0.38740%0.404SS..EExtended strand (participates in β ladder)trans-72.3139.6-173.4-166.2166.6-174.11580112.4Y77 E128 V130K75-Y77 HydrophobicContact CD-CE1 4.29Å; K75-E128 IonicContact NZ-OE1 2.68Å; K75-E128 PolarHBondContact NZ-OE1 3.28Å; K75-E128 IonicContact NZ-OE2 3.29Å; K75-E128 PolarHBondContact NZ-OE2 3.3Å; K75-V130 HydrophobicContact CB-CG1 4.48Å
76I91.6Very high88.7Confident17 Ų1780.5 Ų80.59%0.08738%0.377CS..EExtended strand (participates in β ladder)trans-120.5150.5168.361.3163.2000109.1Y74 Y80 A129 V131Y74-I76 HydrophobicContact CD2-CG2 4.46Å; Y74-I76 HydrophobicContact CE2-CG2 4.19Å; I76-Y80 HydrophobicContact CB-CD2 4.48Å; I76-Y80 HydrophobicContact CD1-CG 4.48Å; I76-Y80 HydrophobicContact CG2-CD1 4.49Å; I76-Y80 HydrophobicContact CG2-CD2 3.62Å; I76-Y80 HydrophobicContact CG2-CE2 4.2Å; I76-Y80 HydrophobicContact CG2-CG 3.8Å; I76-A129 HydrophobicContact CD1-CB 3.85Å; I76-A129 HydrophobicContact CG1-CB 3.67Å; I76-A129 WeakPolarHBondContact CG1-O 3.48Å; I76-A129 PolarHBondContact N-O 3.21Å; I76-V131 HydrophobicContact CD1-CG2 3.59Å; I76-V131 HydrophobicContact CG1-CG2 3.99Å; I76-V131 HydrophobicContact CG2-CB 4.24Å; I76-V131 HydrophobicContact CG2-CG2 3.72Å
77Y84.5Confident89.2Confident201 Ų20183.3 Ų83.379%0.78840%0.401SS*.  trans-106.6-19.3-173.7-65.2-77000114.1K75K75-Y77 HydrophobicContact CD-CE1 4.29Å
78D83.6Confident89.9Confident100 Ų10079.4 Ų79.454%0.53537%0.373SS..SBendtrans-160.3-156.7-177.1-167-0.6000107.4Y80 H101D78-Y80 PolarHBondContact O-N 3.44Å; D78-H101 IonicContact OD1-CD2 3.34Å; D78-H101 IonicContact OD1-NE2 3.67Å
79K88Confident90.3Very high92 Ų9280.8 Ų80.840%0.438%0.383SS..  trans-41.1120.6170.2-167.9173.2-164.8168.30112.8W81 D99 F100 H101K79-W81 VanDerWaalsContact CE-CZ2 3.45Å; K79-W81 VanDerWaalsContact NZ-CZ2 3.27Å; K79-D99 WeakPolarHBondContact CE-OD1 3.5Å; K79-D99 WeakPolarHBondContact CE-OD2 3.32Å; K79-D99 VanDerWaalsContact CG-OD1 3.27Å; K79-D99 WeakPolarHBondContact CG-OD1 3.32Å; K79-D99 IonicContact NZ-OD1 3.61Å; K79-D99 IonicContact NZ-OD2 3.74Å; K79-D99 PolarHBondContact NZ-OD2 2.77Å; K79-F100 WeakPolarHBondContact CA-O 3.09Å; K79-H101 HydrophobicContact CG-CB 4.47Å
80Y92.6Very high91.1Very high71 Ų7177.6 Ų77.628%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-122.9120.4177.9-171.2-96.7000111.2Y74 I76 D78 V82 F100 V131Y74-Y80 HydrophobicContact CE2-CE2 4.26Å; Y74-Y80 WeakPolarHBondContact OH-CE1 3.46Å; Y74-Y80 VanDerWaalsContact OH-CZ 3.27Å; Y74-Y80 PolarHBondContact OH-OH 2.74Å; I76-Y80 HydrophobicContact CB-CD2 4.48Å; I76-Y80 HydrophobicContact CD1-CG 4.48Å; I76-Y80 HydrophobicContact CG2-CD1 4.49Å; I76-Y80 HydrophobicContact CG2-CD2 3.62Å; I76-Y80 HydrophobicContact CG2-CE2 4.2Å; I76-Y80 HydrophobicContact CG2-CG 3.8Å; D78-Y80 PolarHBondContact O-N 3.44Å; Y80-V82 HydrophobicContact CD1-CB 4.22Å; Y80-V82 HydrophobicContact CE1-CB 3.91Å; Y80-V82 HydrophobicContact CE1-CG2 4.34Å; Y80-F100 HydrophobicContact CD1-CD2 4.19Å; Y80-F100 PolarHBondContact N-O 3.39Å; Y80-F100 PolarHBondContact O-N 3.42Å; Y80-V131 HydrophobicContact CD1-CG1 4.29Å; Y80-V131 HydrophobicContact CD1-CG2 4.19Å; Y80-V131 HydrophobicContact CE1-CG1 4.1Å
81W94.9Very high91.9Very high105 Ų10574.3 Ų74.340%0.39834%0.335SS..EExtended strand (participates in β ladder)trans-92.7126.2175-66.792.5000110K79 Q97 I98 D99 Y107K79-W81 VanDerWaalsContact CE-CZ2 3.45Å; K79-W81 VanDerWaalsContact NZ-CZ2 3.27Å; W81-Q97 HydrophobicContact CZ3-CG 4.47Å; W81-I98 WeakPolarHBondContact CA-O 3.03Å; W81-D99 HydrophobicContact CD2-CB 4.34Å; W81-D99 HydrophobicContact CE3-CB 3.86Å; W81-D99 HydrophobicContact CH2-CB 3.98Å; W81-D99 HydrophobicContact CZ2-CB 4.46Å; W81-D99 HydrophobicContact CZ3-CB 3.65Å; W81-Y107 AromaticContact CH2-CE2 3.88Å; W81-Y107 HydrophobicContact CH2-CE2 3.88Å; W81-Y107 AromaticContact CZ3-CD2 3.92Å; W81-Y107 HydrophobicContact CZ3-CD2 3.92Å; W81-Y107 AromaticContact CZ3-CE2 3.62Å; W81-Y107 HydrophobicContact CZ3-CE2 3.62Å
82V94.9Very high92.3Very high3 Ų368.3 Ų68.32%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-122140.917866.90000111.3Y80 Q97 I98 F100 D133 L138Y80-V82 HydrophobicContact CD1-CB 4.22Å; Y80-V82 HydrophobicContact CE1-CB 3.91Å; Y80-V82 HydrophobicContact CE1-CG2 4.34Å; V82-Q97 WeakPolarHBondContact O-CA 3.46Å; V82-I98 HydrophobicContact CG1-CB 3.76Å; V82-I98 HydrophobicContact CG1-CG1 4.41Å; V82-I98 PolarHBondContact N-O 3.09Å; V82-I98 PolarHBondContact O-N 2.98Å; V82-F100 HydrophobicContact CB-CE2 4.38Å; V82-F100 HydrophobicContact CG1-CD2 4.1Å; V82-F100 HydrophobicContact CG1-CE2 3.62Å; V82-F100 HydrophobicContact CG1-CZ 3.93Å; V82-D133 HydrophobicContact CG2-CB 4.31Å; V82-L138 HydrophobicContact CB-CD1 4.46Å; V82-L138 HydrophobicContact CG1-CD1 4.09Å; V82-L138 HydrophobicContact CG1-CD2 4.01Å; V82-L138 HydrophobicContact CG2-CD1 3.74Å; V82-L138 HydrophobicContact CG2-CD2 4.48Å
83Y96.3Very high92.5Very high137 Ų13768.1 Ų68.154%0.53732%0.315SS..  trans-107.7102169.4-65-86.6000107.4R85 K96 Q97Y83-R85 PolarHBondContact O-N 3.38Å; Y83-K96 HydrophobicContact CD1-CG 4.4Å; Y83-K96 WeakPolarHBondContact CD1-O 3.39Å; Y83-K96 HydrophobicContact CE1-CG 4.49Å; Y83-Q97 HydrophobicContact CD1-CB 3.99Å; Y83-Q97 HydrophobicContact CE1-CB 3.84Å
84P95.5Very high92.7Very high22 Ų2272.1 Ų72.114%0.14333%0.334CS..  trans-49.4132.7-177.8-2429.6000111.7F86 F88 K96 I98 L138P84-F86 PolarHBondContact O-N 3.26Å; P84-F86 VanDerWaalsContact O-N 3.14Å; P84-F88 HydrophobicContact CB-CD1 4.31Å; P84-F88 HydrophobicContact CB-CE1 3.97Å; P84-F88 HydrophobicContact CG-CD1 4.44Å; P84-F88 HydrophobicContact CG-CE1 3.67Å; P84-K96 WeakPolarHBondContact CD-O 3.49Å; P84-I98 HydrophobicContact CG-CD1 4.25Å; P84-I98 HydrophobicContact CG-CG1 4.31Å; P84-L138 HydrophobicContact CB-CD2 3.96Å; P84-L138 HydrophobicContact CG-CD2 3.71Å
85R95.5Very high92.9Very high164 Ų16468.2 Ų68.262%0.61932%0.319SS*.SBendtrans-77.15.5-178.8-56.8177.991.8175.710.1113.4Y83 D133Y83-R85 PolarHBondContact O-N 3.38Å; R85-D133 WeakPolarHBondContact CG-OD1 3.42Å
86F95.7Very high93.2Very high24 Ų2467.9 Ų67.911%0.10532%0.318CS..SBendtrans-137.3153.9175.753.1-94.1000109.1P84 F88 K135 L138 I161 P163P84-F86 PolarHBondContact O-N 3.26Å; P84-F86 VanDerWaalsContact O-N 3.14Å; F86-F88 HydrophobicContact CD2-CB 4.22Å; F86-F88 AromaticContact CD2-CD1 3.94Å; F86-F88 HydrophobicContact CD2-CD1 3.94Å; F86-F88 HydrophobicContact CD2-CG 4.47Å; F86-F88 HydrophobicContact CE2-CB 4.23Å; F86-F88 AromaticContact CE2-CD1 3.59Å; F86-F88 HydrophobicContact CE2-CD1 3.59Å; F86-F88 HydrophobicContact CE2-CE1 4.24Å; F86-F88 HydrophobicContact CE2-CG 4.14Å; F86-K135 WeakPolarHBondContact CD1-O 3.24Å; F86-L138 HydrophobicContact CE1-CB 3.89Å; F86-L138 HydrophobicContact CZ-CB 3.72Å; F86-I161 HydrophobicContact CE2-CG2 4.45Å; F86-I161 WeakPolarHBondContact CZ-O 3.48Å; F86-P163 HydrophobicContact CB-CB 4.43Å; F86-P163 HydrophobicContact CB-CG 4.43Å; F86-P163 HydrophobicContact CD1-CG 4.32Å; F86-P163 HydrophobicContact CD2-CB 3.99Å; F86-P163 HydrophobicContact CD2-CG 4.05Å; F86-P163 HydrophobicContact CE2-CG 4.35Å; F86-P163 HydrophobicContact CG-CB 4.25Å; F86-P163 HydrophobicContact CG-CG 4.01Å
87S94.3Very high93.4Very high105 Ų10568.5 Ų68.573%0.73432%0.32SS*.  trans-87.3133.3173.7-660000109.9
88F95.6Very high94Very high6 Ų659 Ų593%0.02628%0.283CS..  trans-145.2169172.975.9-82.9000110.6P84 F86 V95 I98 L106 I161 P163P84-F88 HydrophobicContact CB-CD1 4.31Å; P84-F88 HydrophobicContact CB-CE1 3.97Å; P84-F88 HydrophobicContact CG-CD1 4.44Å; P84-F88 HydrophobicContact CG-CE1 3.67Å; F86-F88 HydrophobicContact CD2-CB 4.22Å; F86-F88 AromaticContact CD2-CD1 3.94Å; F86-F88 HydrophobicContact CD2-CD1 3.94Å; F86-F88 HydrophobicContact CD2-CG 4.47Å; F86-F88 HydrophobicContact CE2-CB 4.23Å; F86-F88 AromaticContact CE2-CD1 3.59Å; F86-F88 HydrophobicContact CE2-CD1 3.59Å; F86-F88 HydrophobicContact CE2-CE1 4.24Å; F86-F88 HydrophobicContact CE2-CG 4.14Å; F88-V95 HydrophobicContact CD1-CB 4.46Å; F88-V95 HydrophobicContact CD2-CG2 4.13Å; F88-V95 HydrophobicContact CE1-CB 3.84Å; F88-V95 HydrophobicContact CE1-CG1 4.11Å; F88-V95 HydrophobicContact CE1-CG2 4.26Å; F88-V95 HydrophobicContact CE2-CB 4Å; F88-V95 HydrophobicContact CE2-CG2 3.46Å; F88-V95 VanDerWaalsContact CE2-CG2 3.46Å; F88-V95 HydrophobicContact CZ-CB 3.56Å; F88-V95 HydrophobicContact CZ-CG1 3.76Å; F88-V95 HydrophobicContact CZ-CG2 3.53Å; F88-V95 PolarHBondContact O-N 2.85Å; F88-I98 HydrophobicContact CE1-CD1 4.35Å; F88-I98 HydrophobicContact CZ-CD1 3.93Å; F88-L106 HydrophobicContact CE2-CD2 4.47Å; F88-L106 HydrophobicContact CZ-CD2 4.38Å; F88-I161 HydrophobicContact CD1-CG2 4.37Å; F88-I161 HydrophobicContact CD2-CG2 4.06Å; F88-I161 HydrophobicContact CE1-CG2 3.99Å; F88-I161 HydrophobicContact CE2-CG2 3.66Å; F88-I161 HydrophobicContact CG-CG2 4.4Å; F88-I161 HydrophobicContact CZ-CG2 3.63Å; F88-P163 WeakPolarHBondContact CB-O 3.23Å
89S94.4Very high94.5Very high44 Ų4454.4 Ų54.431%0.30826%0.258SS..EExtended strand (participates in β ladder)trans-118.6143177.2-63.10000110.6K93 H94S89-K93 CarbonylContact C-O 3.55Å; S89-K93 VanDerWaalsContact CA-O 3.3Å; S89-K93 WeakPolarHBondContact CA-O 3.3Å; S89-H94 PolarHBondContact OG-CE1 3.1Å; S89-H94 PolarHBondContact OG-ND1 3.06Å
90Y95.6Very high94.8Very high1 Ų150.1 Ų50.10%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-123.7119.3174.8-180-98.2000108.4G92 K93 L106 T116 I117 V167 I187 S188Y90-G92 PolarHBondContact O-N 2.88Å; Y90-K93 PolarHBondContact N-O 3.45Å; Y90-K93 PolarHBondContact O-N 3.17Å; Y90-L106 HydrophobicContact CD1-CD2 4.25Å; Y90-L106 HydrophobicContact CD2-CD2 4.09Å; Y90-L106 HydrophobicContact CG-CD2 3.9Å; Y90-T116 PolarHBondContact OH-O 3.39Å; Y90-I117 HydrophobicContact CD2-CD1 4.45Å; Y90-I117 HydrophobicContact CE2-CD1 4Å; Y90-I117 HydrophobicContact CE2-CG1 3.85Å; Y90-V167 HydrophobicContact CD2-CG2 4.49Å; Y90-V167 HydrophobicContact CE2-CG2 4.47Å; Y90-I187 HydrophobicContact CE2-CB 4.46Å; Y90-S188 VanDerWaalsContact CE1-O 3.26Å; Y90-S188 WeakPolarHBondContact CE1-O 3.42Å; Y90-S188 PolarHBondContact OH-N 3.29Å; Y90-S188 PolarHBondContact OH-O 3.5Å
91Y92.3Very high94.5Very high29 Ų2949.9 Ų49.911%0.11424%0.241CC..THydrogen-bonded Turntrans45.745.1-168.9-71.5-104.6000113.2N55 Y56 K93 I187 I189N55-Y91 HydrophobicContact CB-CD1 3.96Å; N55-Y91 HydrophobicContact CB-CE1 4.11Å; Y56-Y91 HydrophobicContact CD2-CD1 4.13Å; Y56-Y91 HydrophobicContact CD2-CD2 4.38Å; Y56-Y91 AromaticContact CD2-CE1 3.81Å; Y56-Y91 HydrophobicContact CD2-CE1 3.81Å; Y56-Y91 HydrophobicContact CD2-CE2 4.09Å; Y56-Y91 HydrophobicContact CD2-CG 4.41Å; Y56-Y91 AromaticContact CD2-CZ 3.8Å; Y56-Y91 AromaticContact CE2-CD1 3.7Å; Y56-Y91 HydrophobicContact CE2-CD1 3.7Å; Y56-Y91 AromaticContact CE2-CD2 3.44Å; Y56-Y91 HydrophobicContact CE2-CD2 3.44Å; Y56-Y91 VanDerWaalsContact CE2-CD2 3.44Å; Y56-Y91 AromaticContact CE2-CE1 3.76Å; Y56-Y91 HydrophobicContact CE2-CE1 3.76Å; Y56-Y91 AromaticContact CE2-CE2 3.5Å; Y56-Y91 HydrophobicContact CE2-CE2 3.5Å; Y56-Y91 AromaticContact CE2-CG 3.55Å; Y56-Y91 HydrophobicContact CE2-CG 3.55Å; Y56-Y91 AromaticContact CE2-CZ 3.67Å; Y56-Y91 AromaticContact CZ-CD2 3.95Å; Y56-Y91 PolarHBondContact OH-N 3.16Å; Y91-K93 PolarHBondContact O-N 3.12Å; Y91-I187 HydrophobicContact CE2-CD1 4.15Å; Y91-I187 PolarHBondContact OH-O 3.32Å; Y91-I189 VanDerWaalsContact CB-CD1 3.47Å; Y91-I189 HydrophobicContact CD1-CB 3.82Å; Y91-I189 HydrophobicContact CD1-CD1 4.23Å; Y91-I189 HydrophobicContact CD1-CG1 4.47Å; Y91-I189 HydrophobicContact CD1-CG2 3.58Å; Y91-I189 HydrophobicContact CD2-CB 3.91Å; Y91-I189 HydrophobicContact CE1-CB 4.16Å; Y91-I189 HydrophobicContact CE1-CG2 3.73Å; Y91-I189 HydrophobicContact CE2-CB 4.23Å; Y91-I189 HydrophobicContact CG-CB 3.67Å; Y91-I189 HydrophobicContact CG-CD1 3.99Å; Y91-I189 HydrophobicContact CG-CG1 4.08Å; Y91-I189 HydrophobicContact CG-CG2 4Å
92G90.3Very high94Very high35 Ų3549.7 Ų49.736%0.36125%0.245SC..THydrogen-bonded Turntrans71.95.4179.600000115.8Y90Y90-G92 PolarHBondContact O-N 2.88Å
93K92.1Very high93.6Very high71 Ų7152.2 Ų52.231%0.30926%0.258SS..EExtended strand (participates in β ladder)trans-106.6134.3174.8-62.3-173.8178.7-175.90111.1S89 Y90 Y91 V95 I114S89-K93 CarbonylContact C-O 3.55Å; S89-K93 VanDerWaalsContact CA-O 3.3Å; S89-K93 WeakPolarHBondContact CA-O 3.3Å; Y90-K93 PolarHBondContact N-O 3.45Å; Y90-K93 PolarHBondContact O-N 3.17Å; Y91-K93 PolarHBondContact O-N 3.12Å; K93-V95 PolarHBondContact O-N 2.95Å; K93-I114 HydrophobicContact CB-CD1 4.28Å; K93-I114 HydrophobicContact CB-CG2 4.39Å; K93-I114 HydrophobicContact CD-CB 3.93Å; K93-I114 HydrophobicContact CD-CG2 3.63Å
94H95.2Very high93.4Very high108 Ų10845.7 Ų45.750%0.523%0.232SC..EExtended strand (participates in β ladder)trans-70.5129176.5-68.7-69.9000111.4S89 F109S89-H94 PolarHBondContact OG-CE1 3.1Å; S89-H94 PolarHBondContact OG-ND1 3.06Å; H94-F109 HydrophobicContact CB-CD2 4.37Å; H94-F109 HydrophobicContact CB-CE2 4.1Å
95V96.8Very high93.4Very high9 Ų948.6 Ų48.66%0.05524%0.243CC..  trans-91.4128.5177.5-174.20000108.9F88 K93 I98 L106 I114F88-V95 HydrophobicContact CD1-CB 4.46Å; F88-V95 HydrophobicContact CD2-CG2 4.13Å; F88-V95 HydrophobicContact CE1-CB 3.84Å; F88-V95 HydrophobicContact CE1-CG1 4.11Å; F88-V95 HydrophobicContact CE1-CG2 4.26Å; F88-V95 HydrophobicContact CE2-CB 4Å; F88-V95 HydrophobicContact CE2-CG2 3.46Å; F88-V95 VanDerWaalsContact CE2-CG2 3.46Å; F88-V95 HydrophobicContact CZ-CB 3.56Å; F88-V95 HydrophobicContact CZ-CG1 3.76Å; F88-V95 HydrophobicContact CZ-CG2 3.53Å; F88-V95 PolarHBondContact O-N 2.85Å; K93-V95 PolarHBondContact O-N 2.95Å; V95-I98 HydrophobicContact CG1-CD1 4.4Å; V95-I98 HydrophobicContact CG1-CG1 3.83Å; V95-L106 HydrophobicContact CG1-CB 4.31Å; V95-L106 HydrophobicContact CG1-CD2 4.13Å; V95-L106 HydrophobicContact CG2-CD2 3.86Å; V95-I114 HydrophobicContact CB-CD1 4.47Å; V95-I114 HydrophobicContact CG2-CD1 3.77Å
96K96.9Very high93.5Very high82 Ų8240.8 Ų40.836%0.35721%0.214SC..  trans-97.9-42.1172.7177.2179.3175.5-174.40111.7Y83 P84 Y107 F109Y83-K96 HydrophobicContact CD1-CG 4.4Å; Y83-K96 WeakPolarHBondContact CD1-O 3.39Å; Y83-K96 HydrophobicContact CE1-CG 4.49Å; P84-K96 WeakPolarHBondContact CD-O 3.49Å; K96-Y107 PolarHBondContact N-O 3.22Å; K96-F109 HydrophobicContact CB-CD1 4.09Å; K96-F109 HydrophobicContact CB-CD2 4.25Å; K96-F109 HydrophobicContact CB-CE1 4.18Å; K96-F109 HydrophobicContact CB-CE2 4.36Å; K96-F109 HydrophobicContact CB-CG 4.1Å; K96-F109 HydrophobicContact CB-CZ 4.31Å; K96-F109 HydrophobicContact CD-CB 4.36Å; K96-F109 HydrophobicContact CD-CD1 3.59Å; K96-F109 HydrophobicContact CD-CE1 4.06Å; K96-F109 HydrophobicContact CD-CG 4.11Å; K96-F109 HydrophobicContact CG-CD1 3.96Å; K96-F109 HydrophobicContact CG-CE1 3.98Å; K96-F109 HydrophobicContact CG-CG 4.45Å
97Q96.3Very high93.6Very high30 Ų3041.4 Ų41.414%0.1422%0.215CC..EExtended strand (participates in β ladder)trans-144.6150.9-173.766.8-177.928.900110.2W81 V82 Y83 Y107W81-Q97 HydrophobicContact CZ3-CG 4.47Å; V82-Q97 WeakPolarHBondContact O-CA 3.46Å; Y83-Q97 HydrophobicContact CD1-CB 3.99Å; Y83-Q97 HydrophobicContact CE1-CB 3.84Å; Q97-Y107 HydrophobicContact CG-CD2 4.03Å; Q97-Y107 HydrophobicContact CG-CG 4.13Å; Q97-Y107 PolarHBondContact N-O 2.92Å; Q97-Y107 PolarHBondContact O-N 3.04Å
98I97Very high93.6Very high0 Ų038.2 Ų38.20%019%0.19CC..EExtended strand (participates in β ladder)trans-125.6137.7174.2-47.1-179.7000108.2W81 V82 P84 F88 V95 F100 H104 K105 L106 L138 I161W81-I98 WeakPolarHBondContact CA-O 3.03Å; V82-I98 HydrophobicContact CG1-CB 3.76Å; V82-I98 HydrophobicContact CG1-CG1 4.41Å; V82-I98 PolarHBondContact N-O 3.09Å; V82-I98 PolarHBondContact O-N 2.98Å; P84-I98 HydrophobicContact CG-CD1 4.25Å; P84-I98 HydrophobicContact CG-CG1 4.31Å; F88-I98 HydrophobicContact CE1-CD1 4.35Å; F88-I98 HydrophobicContact CZ-CD1 3.93Å; V95-I98 HydrophobicContact CG1-CD1 4.4Å; V95-I98 HydrophobicContact CG1-CG1 3.83Å; I98-F100 HydrophobicContact CB-CE1 4.27Å; I98-F100 HydrophobicContact CG2-CD1 3.74Å; I98-F100 HydrophobicContact CG2-CE1 3.51Å; I98-F100 HydrophobicContact CG2-CZ 4.31Å; I98-H104 HydrophobicContact CG2-CB 4.23Å; I98-K105 WeakPolarHBondContact CA-O 3.2Å; I98-L106 HydrophobicContact CD1-CD2 4.38Å; I98-L106 HydrophobicContact CG1-CG 4.37Å; I98-L106 HydrophobicContact CG2-CG 4.36Å; I98-L138 HydrophobicContact CD1-CD2 3.68Å; I98-I161 HydrophobicContact CD1-CD1 3.44Å; I98-I161 VanDerWaalsContact CD1-CD1 3.44Å
99D95.2Very high93.5Very high4 Ų444.5 Ų44.52%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-102104.8173.2176.67.5000108.7K79 W81 H101 H104 K105 Y107K79-D99 WeakPolarHBondContact CE-OD1 3.5Å; K79-D99 WeakPolarHBondContact CE-OD2 3.32Å; K79-D99 VanDerWaalsContact CG-OD1 3.27Å; K79-D99 WeakPolarHBondContact CG-OD1 3.32Å; K79-D99 IonicContact NZ-OD1 3.61Å; K79-D99 IonicContact NZ-OD2 3.74Å; K79-D99 PolarHBondContact NZ-OD2 2.77Å; W81-D99 HydrophobicContact CD2-CB 4.34Å; W81-D99 HydrophobicContact CE3-CB 3.86Å; W81-D99 HydrophobicContact CH2-CB 3.98Å; W81-D99 HydrophobicContact CZ2-CB 4.46Å; W81-D99 HydrophobicContact CZ3-CB 3.65Å; D99-H101 PolarHBondContact O-N 2.82Å; D99-H104 CarbonylContact O-C 3.56Å; D99-H104 VanDerWaalsContact O-CA 3.23Å; D99-H104 WeakPolarHBondContact O-CA 3.42Å; D99-K105 HydrophobicContact CB-CB 4.12Å; D99-K105 PolarHBondContact N-O 3.32Å; D99-K105 PolarHBondContact O-N 2.95Å; D99-Y107 HydrophobicContact CB-CE2 3.88Å
100F92.8Very high93.4Very high2 Ų245 Ų451%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-86101.9172.4-64-34.3000109.9K79 Y80 V82 I98 H104 V131 L138 V140K79-F100 WeakPolarHBondContact CA-O 3.09Å; Y80-F100 HydrophobicContact CD1-CD2 4.19Å; Y80-F100 PolarHBondContact N-O 3.39Å; Y80-F100 PolarHBondContact O-N 3.42Å; V82-F100 HydrophobicContact CB-CE2 4.38Å; V82-F100 HydrophobicContact CG1-CD2 4.1Å; V82-F100 HydrophobicContact CG1-CE2 3.62Å; V82-F100 HydrophobicContact CG1-CZ 3.93Å; I98-F100 HydrophobicContact CB-CE1 4.27Å; I98-F100 HydrophobicContact CG2-CD1 3.74Å; I98-F100 HydrophobicContact CG2-CE1 3.51Å; I98-F100 HydrophobicContact CG2-CZ 4.31Å; F100-H104 HydrophobicContact CD1-CB 4.07Å; F100-H104 AromaticContact CD1-CD2 3.56Å; F100-H104 AromaticContact CD1-CG 3.78Å; F100-H104 HydrophobicContact CE1-CB 4.4Å; F100-V131 HydrophobicContact CD2-CG1 4.3Å; F100-V131 HydrophobicContact CD2-CG2 3.93Å; F100-V131 HydrophobicContact CE2-CG1 4.05Å; F100-V131 HydrophobicContact CE2-CG2 4.39Å; F100-L138 HydrophobicContact CE2-CD1 3.97Å; F100-L138 HydrophobicContact CZ-CD1 4.04Å; F100-L138 HydrophobicContact CZ-CD2 4.36Å; F100-L138 HydrophobicContact CZ-CG 4.07Å; F100-V140 HydrophobicContact CD1-CG1 4.11Å; F100-V140 HydrophobicContact CD2-CB 4.28Å; F100-V140 HydrophobicContact CE1-CG1 4.12Å; F100-V140 HydrophobicContact CE2-CB 4.34Å; F100-V140 HydrophobicContact CG-CB 4.41Å; F100-V140 HydrophobicContact CG-CG1 4.4Å; F100-V140 HydrophobicContact CZ-CG1 4.42Å
101H87.5Confident93.2Very high66 Ų6647 Ų4731%0.30625%0.251SS..SBendtrans-128.5-124.2172.5-174.2-109.6000110D78 K79 D99 R142D78-H101 IonicContact OD1-CD2 3.34Å; D78-H101 IonicContact OD1-NE2 3.67Å; K79-H101 HydrophobicContact CG-CB 4.47Å; D99-H101 PolarHBondContact O-N 2.82Å; H101-R142 PolarHBondContact O-NH2 2.86Å
102E84.2Confident93.3Very high102 Ų10253.5 Ų53.548%0.47728%0.277SS..SBendtrans-76.3-52.5167.9-69.8175.6159.500110.6
103D86.9Confident93.5Very high55 Ų5554.7 Ų54.729%0.29427%0.273SS..SBendtrans-102128.7172.3-66.7-26000108.8K105 T116 I118D103-K105 PolarHBondContact O-N 3.31Å; D103-K105 VanDerWaalsContact O-N 3.11Å; D103-T116 HydrophobicContact CB-CG2 3.62Å; D103-I118 HydrophobicContact CB-CG1 4.5Å
104H91.8Very high93.6Very high0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-74.4106.1175.6-46.5141.7000109.4I98 D99 F100 L106 T116 I117 V140 R142I98-H104 HydrophobicContact CG2-CB 4.23Å; D99-H104 CarbonylContact O-C 3.56Å; D99-H104 VanDerWaalsContact O-CA 3.23Å; D99-H104 WeakPolarHBondContact O-CA 3.42Å; F100-H104 HydrophobicContact CD1-CB 4.07Å; F100-H104 AromaticContact CD1-CD2 3.56Å; F100-H104 AromaticContact CD1-CG 3.78Å; F100-H104 HydrophobicContact CE1-CB 4.4Å; H104-L106 WeakPolarHBondContact O-CD1 3.15Å; H104-T116 VanDerWaalsContact O-CA 3.3Å; H104-T116 WeakPolarHBondContact O-CA 3.36Å; H104-I117 HydrophobicContact CB-CB 4.07Å; H104-I117 VanDerWaalsContact CB-O 3.32Å; H104-I117 WeakPolarHBondContact CB-O 3.13Å; H104-I117 PolarHBondContact N-O 3.33Å; H104-I117 PolarHBondContact ND1-O 3.38Å; H104-I117 PolarHBondContact O-N 2.03Å; H104-V140 WeakPolarHBondContact CE1-CG1 3.35Å; H104-V140 WeakPolarHBondContact NE2-CG1 3.09Å; H104-R142 PolarHBondContact CD2-NH2 3.41Å; H104-R142 PolarHBondContact CE1-NH1 3.02Å; H104-R142 VanDerWaalsContact NE2-CZ 3.25Å; H104-R142 PolarHBondContact NE2-NH1 3.44Å; H104-R142 PolarHBondContact NE2-NH2 3.47Å
105K96Very high93.7Very high84 Ų8446.2 Ų46.237%0.36523%0.234SC..EExtended strand (participates in β ladder)trans-91.4126.9179-64.9178.3-176.7174.90110.2I98 D99 D103 Y107I98-K105 WeakPolarHBondContact CA-O 3.2Å; D99-K105 HydrophobicContact CB-CB 4.12Å; D99-K105 PolarHBondContact N-O 3.32Å; D99-K105 PolarHBondContact O-N 2.95Å; D103-K105 PolarHBondContact O-N 3.31Å; D103-K105 VanDerWaalsContact O-N 3.11Å; K105-Y107 HydrophobicContact CB-CE2 3.64Å; K105-Y107 WeakPolarHBondContact O-CE2 3.44Å
106L97.1Very high93.7Very high0 Ų046.5 Ų46.50%024%0.236CC..EExtended strand (participates in β ladder)trans-100139.7179.2-62.290.9000109.4F88 Y90 V95 I98 H104 H113 I114 G115 I117F88-L106 HydrophobicContact CE2-CD2 4.47Å; F88-L106 HydrophobicContact CZ-CD2 4.38Å; Y90-L106 HydrophobicContact CD1-CD2 4.25Å; Y90-L106 HydrophobicContact CD2-CD2 4.09Å; Y90-L106 HydrophobicContact CG-CD2 3.9Å; V95-L106 HydrophobicContact CG1-CB 4.31Å; V95-L106 HydrophobicContact CG1-CD2 4.13Å; V95-L106 HydrophobicContact CG2-CD2 3.86Å; I98-L106 HydrophobicContact CD1-CD2 4.38Å; I98-L106 HydrophobicContact CG1-CG 4.37Å; I98-L106 HydrophobicContact CG2-CG 4.36Å; H104-L106 WeakPolarHBondContact O-CD1 3.15Å; L106-H113 PolarHBondContact O-CD2 3.05Å; L106-I114 HydrophobicContact CB-CD1 3.96Å; L106-I114 HydrophobicContact CB-CG1 3.75Å; L106-I114 WeakPolarHBondContact O-CG1 3.33Å; L106-I114 PolarHBondContact O-N 3.41Å; L106-G115 PolarHBondContact N-O 2.99Å; L106-I117 HydrophobicContact CD1-CB 4.37Å; L106-I117 HydrophobicContact CD1-CD1 3.85Å; L106-I117 HydrophobicContact CD1-CG1 3.75Å; L106-I117 HydrophobicContact CD2-CD1 4.09Å
107Y96.8Very high93.7Very high36 Ų3642.6 Ų42.614%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-131.1146.9178.9-54.8-102.1000112.1W81 K96 Q97 D99 K105 Y112 H113W81-Y107 AromaticContact CH2-CE2 3.88Å; W81-Y107 HydrophobicContact CH2-CE2 3.88Å; W81-Y107 AromaticContact CZ3-CD2 3.92Å; W81-Y107 HydrophobicContact CZ3-CD2 3.92Å; W81-Y107 AromaticContact CZ3-CE2 3.62Å; W81-Y107 HydrophobicContact CZ3-CE2 3.62Å; K96-Y107 PolarHBondContact N-O 3.22Å; Q97-Y107 HydrophobicContact CG-CD2 4.03Å; Q97-Y107 HydrophobicContact CG-CG 4.13Å; Q97-Y107 PolarHBondContact N-O 2.92Å; Q97-Y107 PolarHBondContact O-N 3.04Å; D99-Y107 HydrophobicContact CB-CE2 3.88Å; K105-Y107 HydrophobicContact CB-CE2 3.64Å; K105-Y107 WeakPolarHBondContact O-CE2 3.44Å; Y107-Y112 VanDerWaalsContact CA-O 3.23Å; Y107-Y112 WeakPolarHBondContact CA-O 3.48Å; Y107-H113 HydrophobicContact CD1-CB 4.16Å; Y107-H113 HydrophobicContact CE1-CB 3.96Å
108D94.8Very high93.8Very high39 Ų3942.5 Ų42.521%0.20922%0.219CC..  trans-85.5-175176.671.215.1000113.3G110 G111 Y112 I114D108-G110 PolarHBondContact O-N 2.77Å; D108-G110 VanDerWaalsContact OD1-CA 3.32Å; D108-G110 WeakPolarHBondContact OD1-CA 3.34Å; D108-G110 PolarHBondContact OD1-N 3.18Å; D108-G111 PolarHBondContact O-N 3.4Å; D108-G111 PolarHBondContact OD1-N 3.22Å; D108-G111 VanDerWaalsContact OD1-N 3.1Å; D108-Y112 PolarHBondContact N-O 3.39Å; D108-Y112 PolarHBondContact OD1-N 2.96Å; D108-I114 HydrophobicContact CB-CG2 3.81Å
109F92.7Very high93.7Very high137 Ų13742.6 Ų42.660%0.60122%0.22SC*.THydrogen-bonded Turntrans-65.8-23.5179-75.7-87.4000114.8H94 K96 G111H94-F109 HydrophobicContact CB-CD2 4.37Å; H94-F109 HydrophobicContact CB-CE2 4.1Å; K96-F109 HydrophobicContact CB-CD1 4.09Å; K96-F109 HydrophobicContact CB-CD2 4.25Å; K96-F109 HydrophobicContact CB-CE1 4.18Å; K96-F109 HydrophobicContact CB-CE2 4.36Å; K96-F109 HydrophobicContact CB-CG 4.1Å; K96-F109 HydrophobicContact CB-CZ 4.31Å; K96-F109 HydrophobicContact CD-CB 4.36Å; K96-F109 HydrophobicContact CD-CD1 3.59Å; K96-F109 HydrophobicContact CD-CE1 4.06Å; K96-F109 HydrophobicContact CD-CG 4.11Å; K96-F109 HydrophobicContact CG-CD1 3.96Å; K96-F109 HydrophobicContact CG-CE1 3.98Å; K96-F109 HydrophobicContact CG-CG 4.45Å; F109-G111 VanDerWaalsContact C-N 3.27Å
110G92.6Very high93.6Very high56 Ų5644.7 Ų44.758%0.57723%0.228SC*.THydrogen-bonded Turntrans-81.9-4.1173.700000113.4D108 Y112D108-G110 PolarHBondContact O-N 2.77Å; D108-G110 VanDerWaalsContact OD1-CA 3.32Å; D108-G110 WeakPolarHBondContact OD1-CA 3.34Å; D108-G110 PolarHBondContact OD1-N 3.18Å; G110-Y112 VanDerWaalsContact C-N 3.28Å
111G92.9Very high93.7Very high43 Ų4344.6 Ų44.644%0.44323%0.227SC..SBendtrans78.113.1-174.500000113.2D108 F109D108-G111 PolarHBondContact O-N 3.4Å; D108-G111 PolarHBondContact OD1-N 3.22Å; D108-G111 VanDerWaalsContact OD1-N 3.1Å; F109-G111 VanDerWaalsContact C-N 3.27Å
112Y93.8Very high93.9Very high165 Ų16544.4 Ų44.465%0.64723%0.226SC*.  trans-81.2137176.8-62.2-74.2000110.4Y107 D108 G110 I114Y107-Y112 VanDerWaalsContact CA-O 3.23Å; Y107-Y112 WeakPolarHBondContact CA-O 3.48Å; D108-Y112 PolarHBondContact N-O 3.39Å; D108-Y112 PolarHBondContact OD1-N 2.96Å; G110-Y112 VanDerWaalsContact C-N 3.28Å; Y112-I114 PolarHBondContact O-N 3.46Å
113H94.7Very high94.2Very high60 Ų6045.3 Ų45.328%0.27823%0.234SC..EExtended strand (participates in β ladder)trans-65.4122.5170.5175.8-115.3000109.5L106 Y107 G115 T116 T190L106-H113 PolarHBondContact O-CD2 3.05Å; Y107-H113 HydrophobicContact CD1-CB 4.16Å; Y107-H113 HydrophobicContact CE1-CB 3.96Å; H113-G115 PolarHBondContact CD2-O 2.87Å; H113-G115 VanDerWaalsContact NE2-C 3.34Å; H113-G115 PolarHBondContact NE2-O 3.47Å; H113-T116 PolarHBondContact CE1-OG1 3.47Å; H113-T116 PolarHBondContact NE2-OG1 3.36Å; H113-T116 VanDerWaalsContact NE2-OG1 3.11Å; H113-T190 PolarHBondContact CE1-OG1 2.82Å; H113-T190 PolarHBondContact ND1-OG1 3.34Å
114I94.3Very high94.4Very high1 Ų146 Ų461%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-105.9-25.2-17752.6169.9000112.7K93 V95 L106 D108 Y112 I189 T190K93-I114 HydrophobicContact CB-CD1 4.28Å; K93-I114 HydrophobicContact CB-CG2 4.39Å; K93-I114 HydrophobicContact CD-CB 3.93Å; K93-I114 HydrophobicContact CD-CG2 3.63Å; V95-I114 HydrophobicContact CB-CD1 4.47Å; V95-I114 HydrophobicContact CG2-CD1 3.77Å; L106-I114 HydrophobicContact CB-CD1 3.96Å; L106-I114 HydrophobicContact CB-CG1 3.75Å; L106-I114 WeakPolarHBondContact O-CG1 3.33Å; L106-I114 PolarHBondContact O-N 3.41Å; D108-I114 HydrophobicContact CB-CG2 3.81Å; Y112-I114 PolarHBondContact O-N 3.46Å; I114-I189 WeakPolarHBondContact O-CG1 3.36Å; I114-T190 PolarHBondContact O-N 3.46Å
115G95.9Very high94.5Very high0 Ų051 Ų510%026%0.256CS..EExtended strand (participates in β ladder)trans173179.9-177.600000113L106 H113 S188L106-G115 PolarHBondContact N-O 2.99Å; H113-G115 PolarHBondContact CD2-O 2.87Å; H113-G115 VanDerWaalsContact NE2-C 3.34Å; H113-G115 PolarHBondContact NE2-O 3.47Å; G115-S188 CarbonylContact C-O 3.54Å; G115-S188 VanDerWaalsContact CA-O 3.25Å; G115-S188 WeakPolarHBondContact CA-O 3.44Å
116T97.3Very high94.4Very high15 Ų1552.3 Ų52.39%0.09226%0.262CS..EExtended strand (participates in β ladder)trans-139.5133.1-171.3-54.60000110.1Y90 D103 H104 H113 I118 S188Y90-T116 PolarHBondContact OH-O 3.39Å; D103-T116 HydrophobicContact CB-CG2 3.62Å; H104-T116 VanDerWaalsContact O-CA 3.3Å; H104-T116 WeakPolarHBondContact O-CA 3.36Å; H113-T116 PolarHBondContact CE1-OG1 3.47Å; H113-T116 PolarHBondContact NE2-OG1 3.36Å; H113-T116 VanDerWaalsContact NE2-OG1 3.11Å; T116-I118 HydrophobicContact CG2-CD1 4.25Å; T116-I118 HydrophobicContact CG2-CG1 3.75Å; T116-S188 PolarHBondContact N-O 3.27Å; T116-S188 PolarHBondContact O-N 2.67Å; T116-S188 PolarHBondContact O-OG 2.94Å; T116-S188 VanDerWaalsContact O-OG 3.09Å
117I97.9Very high94.2Very high0 Ų055.5 Ų55.50%027%0.274CS..EExtended strand (participates in β ladder)trans-108.1123.9169.3-62.7166.4000107.5Y90 H104 L106 T159 I161 V167 F169 I187Y90-I117 HydrophobicContact CD2-CD1 4.45Å; Y90-I117 HydrophobicContact CE2-CD1 4Å; Y90-I117 HydrophobicContact CE2-CG1 3.85Å; H104-I117 HydrophobicContact CB-CB 4.07Å; H104-I117 VanDerWaalsContact CB-O 3.32Å; H104-I117 WeakPolarHBondContact CB-O 3.13Å; H104-I117 PolarHBondContact N-O 3.33Å; H104-I117 PolarHBondContact ND1-O 3.38Å; H104-I117 PolarHBondContact O-N 2.03Å; L106-I117 HydrophobicContact CD1-CB 4.37Å; L106-I117 HydrophobicContact CD1-CD1 3.85Å; L106-I117 HydrophobicContact CD1-CG1 3.75Å; L106-I117 HydrophobicContact CD2-CD1 4.09Å; I117-T159 HydrophobicContact CG2-CG2 3.91Å; I117-I161 HydrophobicContact CD1-CD1 4.08Å; I117-V167 HydrophobicContact CD1-CG1 4.1Å; I117-V167 HydrophobicContact CD1-CG2 3.93Å; I117-V167 HydrophobicContact CG2-CG1 4.27Å; I117-F169 HydrophobicContact CG2-CE1 3.52Å; I117-F169 HydrophobicContact CG2-CZ 3.69Å; I117-I187 HydrophobicContact CG1-CG2 4.15Å; I117-I187 HydrophobicContact CG2-CG2 4.31Å
118I96.7Very high94Very high28 Ų2858.5 Ų58.514%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-116.9129.2-177.3-59.2-176.4000107.4D103 T116 Y120 K184 S185 E186D103-I118 HydrophobicContact CB-CG1 4.5Å; T116-I118 HydrophobicContact CG2-CD1 4.25Å; T116-I118 HydrophobicContact CG2-CG1 3.75Å; I118-Y120 HydrophobicContact CG2-CD1 3.37Å; I118-Y120 HydrophobicContact CG2-CE1 3.66Å; I118-K184 HydrophobicContact CG2-CB 4.43Å; I118-S185 CarbonylContact O-C 3.47Å; I118-S185 VanDerWaalsContact O-CA 3.24Å; I118-S185 WeakPolarHBondContact O-CA 3.49Å; I118-E186 HydrophobicContact CB-CB 4.31Å; I118-E186 PolarHBondContact N-O 2.97Å; I118-E186 PolarHBondContact O-N 3.19Å
119N96.4Very high94Very high1 Ų156.9 Ų56.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-155.286.9173.9-171.516.7000107.7R142 M157 T158 T159 F169 Y171 K184 S185N119-R142 PolarHBondContact O-NH1 3.25Å; N119-R142 VanDerWaalsContact O-NH1 3.17Å; N119-M157 PolarHBondContact OD1-SD 3.11Å; N119-T158 PolarHBondContact ND2-O 2.9Å; N119-T158 VanDerWaalsContact ND2-O 3.09Å; N119-T159 VanDerWaalsContact CB-OG1 3.26Å; N119-T159 WeakPolarHBondContact CB-OG1 3.22Å; N119-T159 PolarHBondContact ND2-OG1 3.06Å; N119-F169 HydrophobicContact CB-CD1 4.19Å; N119-F169 HydrophobicContact CB-CE1 4.14Å; N119-F169 HydrophobicContact CB-CZ 4.4Å; N119-Y171 WeakPolarHBondContact OD1-CE1 3.33Å; N119-K184 WeakPolarHBondContact CA-O 3.5Å; N119-S185 PolarHBondContact OD1-OG 2.85Å
120Y93.1Very high94.1Very high48 Ų4851.4 Ų51.419%0.18826%0.259CS..EExtended strand (participates in β ladder)trans-151162.4-171.890.1-73.5000113.2I118 K122 K184I118-Y120 HydrophobicContact CG2-CD1 3.37Å; I118-Y120 HydrophobicContact CG2-CE1 3.66Å; Y120-K122 HydrophobicContact CD2-CG 4.49Å; Y120-K122 HydrophobicContact CE2-CB 4.34Å; Y120-K122 HydrophobicContact CE2-CG 3.46Å; Y120-K122 VanDerWaalsContact CE2-CG 3.46Å; Y120-K122 VanDerWaalsContact OH-CE 3.28Å; Y120-K122 WeakPolarHBondContact OH-CE 2.8Å; Y120-K122 WeakPolarHBondContact OH-CG 3.44Å; Y120-K184 HydrophobicContact CD1-CB 3.72Å; Y120-K184 HydrophobicContact CD1-CD 4.46Å; Y120-K184 HydrophobicContact CE1-CB 3.47Å; Y120-K184 VanDerWaalsContact CE1-CB 3.47Å; Y120-K184 HydrophobicContact CE1-CD 3.41Å; Y120-K184 VanDerWaalsContact CE1-CD 3.41Å; Y120-K184 HydrophobicContact CE1-CG 4.09Å; Y120-K184 PolarHBondContact N-O 3.26Å; Y120-K184 PolarHBondContact O-N 3.43Å; Y120-K184 VanDerWaalsContact O-O 3.13Å; Y120-K184 WeakPolarHBondContact OH-CD 2.78Å
121I93.8Very high94.2Very high0 Ų048.7 Ų48.70%023%0.232CC..EExtended strand (participates in β ladder)trans-108.2135.7172.2-60.2-179.3000107.8Y124 F144 I146 A155 M157 I178 E182 L183I121-Y124 VanDerWaalsContact O-CD1 3.22Å; I121-Y124 WeakPolarHBondContact O-CD1 3.46Å; I121-F144 HydrophobicContact CB-CD1 4.41Å; I121-F144 HydrophobicContact CB-CD2 4.25Å; I121-F144 HydrophobicContact CB-CE2 4.48Å; I121-F144 HydrophobicContact CB-CG 4.2Å; I121-F144 HydrophobicContact CD1-CB 4.33Å; I121-F144 HydrophobicContact CD1-CD2 3.86Å; I121-F144 HydrophobicContact CD1-CG 4.26Å; I121-F144 HydrophobicContact CG1-CD2 3.99Å; I121-F144 HydrophobicContact CG1-CE2 4.21Å; I121-F144 HydrophobicContact CG1-CG 4.39Å; I121-I146 HydrophobicContact CD1-CD1 3.64Å; I121-I146 HydrophobicContact CG2-CD1 3.95Å; I121-I146 HydrophobicContact CG2-CG1 4.47Å; I121-A155 HydrophobicContact CD1-CB 3.39Å; I121-M157 HydrophobicContact CD1-CE 3.8Å; I121-M157 HydrophobicContact CD1-SD 4.26Å; I121-M157 HydrophobicContact CG1-CE 3.36Å; I121-M157 HydrophobicContact CG1-CG 4.49Å; I121-M157 HydrophobicContact CG1-SD 3.65Å; I121-I178 HydrophobicContact CD1-CD1 4.39Å; I121-I178 HydrophobicContact CG2-CD1 3.64Å; I121-E182 CarbonylContact C-O 3.58Å; I121-E182 WeakPolarHBondContact CA-O 3.27Å; I121-L183 HydrophobicContact CD1-CD2 4.25Å; I121-L183 HydrophobicContact CG1-CD2 4.05Å
122K92.2Very high94.3Very high62 Ų6246.7 Ų46.727%0.2721%0.211SC..SBendtrans-80164.1170.1-69.3175.7167.1176.40111.2Y120 Y124 E182 K184Y120-K122 HydrophobicContact CD2-CG 4.49Å; Y120-K122 HydrophobicContact CE2-CB 4.34Å; Y120-K122 HydrophobicContact CE2-CG 3.46Å; Y120-K122 VanDerWaalsContact CE2-CG 3.46Å; Y120-K122 VanDerWaalsContact OH-CE 3.28Å; Y120-K122 WeakPolarHBondContact OH-CE 2.8Å; Y120-K122 WeakPolarHBondContact OH-CG 3.44Å; K122-Y124 PolarHBondContact O-N 2.86Å; K122-E182 HydrophobicContact CB-CB 4.27Å; K122-E182 PolarHBondContact N-O 3.04Å; K122-K184 HydrophobicContact CD-CD 4.46Å; K122-K184 VanDerWaalsContact CE-NZ 3.31Å
123N89.7Confident94.2Very high122 Ų12240.5 Ų40.565%0.65219%0.189SC*.SBendtrans58.229.3172.6-55.9-21.1000114.3E182N123-E182 PolarHBondContact ND2-OE1 3.01Å
124Y92.5Very high94.2Very high68 Ų6841.1 Ų41.127%0.26719%0.192SC..EExtended strand (participates in β ladder)trans-72152.317062.4-93.9000110.9I121 K122 Y127 F144I121-Y124 VanDerWaalsContact O-CD1 3.22Å; I121-Y124 WeakPolarHBondContact O-CD1 3.46Å; K122-Y124 PolarHBondContact O-N 2.86Å; Y124-Y127 HydrophobicContact CD2-CD1 4.1Å; Y124-Y127 AromaticContact CE2-CD1 3.4Å; Y124-Y127 HydrophobicContact CE2-CD1 3.4Å; Y124-Y127 HydrophobicContact CE2-CE1 4.07Å; Y124-Y127 HydrophobicContact CE2-CG 4.33Å; Y124-Y127 AromaticContact CZ-CD1 3.73Å; Y124-F144 AromaticContact CD1-CD1 3.91Å; Y124-F144 HydrophobicContact CD1-CD1 3.91Å; Y124-F144 HydrophobicContact CD1-CE1 4.1Å; Y124-F144 HydrophobicContact CE1-CE1 4.39Å; Y124-F144 AromaticContact CG-CD1 3.93Å; Y124-F144 HydrophobicContact CG-CD1 3.93Å
125E93.4Very high94Very high105 Ų10548.7 Ų48.749%0.49123%0.225SC..EExtended strand (participates in β ladder)trans-83.4-45.7173.6-64.1-170.3169.900111.2S145 N147E125-S145 PolarHBondContact N-O 3.38Å; E125-N147 HydrophobicContact CG-CB 4.44Å; E125-N147 VanDerWaalsContact OE1-CB 3.32Å; E125-N147 WeakPolarHBondContact OE1-CB 3.3Å; E125-N147 PolarHBondContact OE1-ND2 3.15Å
126K93.3Very high93.9Very high113 Ų11356.7 Ų56.749%0.49126%0.259SS..EExtended strand (participates in β ladder)trans-146.4155.7177.361-173.8-174.7-130.70109.7S145 E152K126-S145 WeakPolarHBondContact CE-OG 3.27Å; K126-S145 VanDerWaalsContact CG-CB 3.42Å; K126-S145 PolarHBondContact O-N 3.41Å; K126-E152 IonicContact NZ-OE1 2.92Å; K126-E152 PolarHBondContact NZ-OE1 2.91Å; K126-E152 IonicContact NZ-OE2 3.61Å; K126-E152 PolarHBondContact NZ-OE2 3.32Å
127Y93.3Very high93.7Very high67 Ų6757.2 Ų57.226%0.26326%0.262SS..EExtended strand (participates in β ladder)trans-138.2152.3169.477.9-80.7000111Y124 A129 N143Y124-Y127 HydrophobicContact CD2-CD1 4.1Å; Y124-Y127 AromaticContact CE2-CD1 3.4Å; Y124-Y127 HydrophobicContact CE2-CD1 3.4Å; Y124-Y127 HydrophobicContact CE2-CE1 4.07Å; Y124-Y127 HydrophobicContact CE2-CG 4.33Å; Y124-Y127 AromaticContact CZ-CD1 3.73Å; Y127-A129 HydrophobicContact CD2-CB 4.38Å; Y127-A129 HydrophobicContact CE2-CB 4.22Å; Y127-N143 CarbonylContact C-O 3.53Å; Y127-N143 WeakPolarHBondContact CA-O 3.29Å
128E93.7Very high93.7Very high99 Ų9957.2 Ų57.246%0.46326%0.262SS..EExtended strand (participates in β ladder)trans-119.3141.8166.5-56.2-159.5147.300109.3K75 R142 N143K75-E128 IonicContact NZ-OE1 2.68Å; K75-E128 PolarHBondContact NZ-OE1 3.28Å; K75-E128 IonicContact NZ-OE2 3.29Å; K75-E128 PolarHBondContact NZ-OE2 3.3Å; E128-R142 CarbonylContact O-C 3.48Å; E128-R142 WeakPolarHBondContact O-CA 3.4Å; E128-N143 PolarHBondContact N-O 2.77Å; E128-N143 PolarHBondContact O-N 3.17Å
129A94.2Very high93.6Very high5 Ų555.9 Ų55.94%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-122.3138.6177.500000110.8I76 Y127 V140 Q141 R142I76-A129 HydrophobicContact CD1-CB 3.85Å; I76-A129 HydrophobicContact CG1-CB 3.67Å; I76-A129 WeakPolarHBondContact CG1-O 3.48Å; I76-A129 PolarHBondContact N-O 3.21Å; Y127-A129 HydrophobicContact CD2-CB 4.38Å; Y127-A129 HydrophobicContact CE2-CB 4.22Å; A129-V140 HydrophobicContact CB-CG2 4.42Å; A129-Q141 WeakPolarHBondContact CA-O 3.48Å; A129-R142 HydrophobicContact CB-CG 4.3Å
130V94.5Very high93.5Very high21 Ų2155.9 Ų55.913%0.12726%0.255CS..EExtended strand (participates in β ladder)trans-129.1141.8175.4-56.50000109.4F73 Y74 K75 V140 Q141F73-V130 HydrophobicContact CB-CB 3.78Å; F73-V130 HydrophobicContact CB-CG2 3.55Å; F73-V130 HydrophobicContact CD1-CB 4.43Å; F73-V130 HydrophobicContact CD1-CG2 3.75Å; F73-V130 HydrophobicContact CG-CB 4.47Å; F73-V130 HydrophobicContact CG-CG2 3.8Å; Y74-V130 CarbonylContact O-C 3.56Å; Y74-V130 VanDerWaalsContact O-CA 3.25Å; Y74-V130 WeakPolarHBondContact O-CA 3.35Å; K75-V130 HydrophobicContact CB-CG1 4.48Å; V130-V140 CarbonylContact O-C 3.53Å; V130-V140 WeakPolarHBondContact O-CA 3.12Å; V130-Q141 HydrophobicContact CG2-CB 3.74Å; V130-Q141 HydrophobicContact CG2-CG 4.32Å; V130-Q141 PolarHBondContact N-O 3.01Å; V130-Q141 PolarHBondContact O-N 3.03Å
131V95.1Very high93.6Very high0 Ų055 Ų550%025%0.253CS..EExtended strand (participates in β ladder)trans-116.7142.2-172.9173.70000110.6F73 Y74 I76 Y80 F100 G139 V140F73-V131 WeakPolarHBondContact CA-O 3.46Å; Y74-V131 WeakPolarHBondContact CD1-O 3.42Å; Y74-V131 HydrophobicContact CE1-CB 4.41Å; Y74-V131 HydrophobicContact CE1-CG1 4.33Å; Y74-V131 WeakPolarHBondContact CE1-O 3.35Å; Y74-V131 HydrophobicContact CE2-CB 4.16Å; Y74-V131 PolarHBondContact N-O 3.46Å; Y74-V131 PolarHBondContact O-N 3.36Å; I76-V131 HydrophobicContact CD1-CG2 3.59Å; I76-V131 HydrophobicContact CG1-CG2 3.99Å; I76-V131 HydrophobicContact CG2-CB 4.24Å; I76-V131 HydrophobicContact CG2-CG2 3.72Å; Y80-V131 HydrophobicContact CD1-CG1 4.29Å; Y80-V131 HydrophobicContact CD1-CG2 4.19Å; Y80-V131 HydrophobicContact CE1-CG1 4.1Å; F100-V131 HydrophobicContact CD2-CG1 4.3Å; F100-V131 HydrophobicContact CD2-CG2 3.93Å; F100-V131 HydrophobicContact CE2-CG1 4.05Å; F100-V131 HydrophobicContact CE2-CG2 4.39Å; V131-G139 WeakPolarHBondContact CA-O 3.49Å; V131-V140 HydrophobicContact CG2-CB 4.43Å; V131-V140 HydrophobicContact CG2-CG2 4.21Å
132L94Very high93.6Very high0 Ų055.4 Ų55.40%025%0.254CS..EExtended strand (participates in β ladder)trans-114121.7171.9172.776000108.1V68 H72 F73 E134 L137 L138 G139 L160V68-L132 HydrophobicContact CG1-CD1 4.37Å; V68-L132 HydrophobicContact CG1-CD2 3.93Å; V68-L132 HydrophobicContact CG2-CD2 4.37Å; H72-L132 HydrophobicContact CB-CD1 3.41Å; H72-L132 VanDerWaalsContact CB-CD1 3.41Å; H72-L132 WeakPolarHBondContact O-CD1 3.03Å; F73-L132 HydrophobicContact CD1-CB 3.68Å; F73-L132 HydrophobicContact CE1-CB 3.54Å; F73-L132 HydrophobicContact CG-CB 4.36Å; F73-L132 HydrophobicContact CZ-CB 4.12Å; F73-L132 HydrophobicContact CZ-CD2 4.37Å; L132-E134 HydrophobicContact CD1-CG 3.76Å; L132-E134 HydrophobicContact CG-CG 4.33Å; L132-L137 HydrophobicContact CD2-CB 4.06Å; L132-L137 HydrophobicContact CD2-CD2 3.69Å; L132-L137 HydrophobicContact CD2-CG 3.7Å; L132-L138 CarbonylContact O-C 3.39Å; L132-L138 WeakPolarHBondContact O-CA 3.49Å; L132-L138 WeakPolarHBondContact O-CD1 2.97Å; L132-G139 PolarHBondContact N-O 3.24Å; L132-G139 PolarHBondContact O-N 3.36Å; L132-L160 HydrophobicContact CD2-CD2 4.22Å
133D92.8Very high93.7Very high36 Ų3654.9 Ų54.919%0.19325%0.254CS..EExtended strand (participates in β ladder)trans-132.781.5177.8-179.129.7000112.1V82 R85 L138V82-D133 HydrophobicContact CG2-CB 4.31Å; R85-D133 WeakPolarHBondContact CG-OD1 3.42Å; D133-L138 HydrophobicContact CB-CD1 4.18Å
134E93.2Very high94Very high73 Ų7349.2 Ų49.234%0.34122%0.224SC..  trans-109.9167.6-178.3-62-166.316000112.9H72 L132 K136 L137H72-E134 IonicContact CE1-OE1 3.44Å; H72-E134 IonicContact CG-OE1 2.71Å; H72-E134 IonicContact ND1-OE1 2.64Å; H72-E134 PolarHBondContact ND1-OE1 3.24Å; L132-E134 HydrophobicContact CD1-CG 3.76Å; L132-E134 HydrophobicContact CG-CG 4.33Å; E134-K136 PolarHBondContact O-N 3Å; E134-L137 WeakPolarHBondContact CA-O 3.25Å; E134-L137 WeakPolarHBondContact CB-O 3.26Å; E134-L137 PolarHBondContact N-O 3.32Å
135K92.1Very high94.2Very high160 Ų16046.2 Ų46.270%0.69621%0.213SC*.SBendtrans-62.5-23.5179.2-69.3-177.2178.51780113.9F86F86-K135 WeakPolarHBondContact CD1-O 3.24Å
136K92Very high94.2Very high167 Ų16741.3 Ų41.373%0.72619%0.19SC*.SBendtrans-123.30.3-174.6-67.1-172.2177.5-176.40113.6E134 P163E134-K136 PolarHBondContact O-N 3Å; K136-P163 WeakPolarHBondContact O-CD 3.46Å
137L94.8Very high94.2Very high26 Ų2639.7 Ų39.714%0.13619%0.187CC..  trans-160.5132.4-176.9-160.957.9000109.7V68 L132 E134 L160 H162V68-L137 HydrophobicContact CG2-CD2 3.51Å; L132-L137 HydrophobicContact CD2-CB 4.06Å; L132-L137 HydrophobicContact CD2-CD2 3.69Å; L132-L137 HydrophobicContact CD2-CG 3.7Å; E134-L137 WeakPolarHBondContact CA-O 3.25Å; E134-L137 WeakPolarHBondContact CB-O 3.26Å; E134-L137 PolarHBondContact N-O 3.32Å; L137-L160 HydrophobicContact CD1-CB 4.09Å; L137-L160 HydrophobicContact CD2-CD1 4.42Å; L137-L160 HydrophobicContact CD2-CD2 4.47Å; L137-H162 VanDerWaalsContact CD1-CE1 3.48Å; L137-H162 WeakPolarHBondContact CD1-CE1 3.43Å
138L96Very high93.9Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-122.9139172.5171.461.3000107.5V82 P84 F86 I98 F100 L132 D133 L160 I161V82-L138 HydrophobicContact CB-CD1 4.46Å; V82-L138 HydrophobicContact CG1-CD1 4.09Å; V82-L138 HydrophobicContact CG1-CD2 4.01Å; V82-L138 HydrophobicContact CG2-CD1 3.74Å; V82-L138 HydrophobicContact CG2-CD2 4.48Å; P84-L138 HydrophobicContact CB-CD2 3.96Å; P84-L138 HydrophobicContact CG-CD2 3.71Å; F86-L138 HydrophobicContact CE1-CB 3.89Å; F86-L138 HydrophobicContact CZ-CB 3.72Å; I98-L138 HydrophobicContact CD1-CD2 3.68Å; F100-L138 HydrophobicContact CE2-CD1 3.97Å; F100-L138 HydrophobicContact CZ-CD1 4.04Å; F100-L138 HydrophobicContact CZ-CD2 4.36Å; F100-L138 HydrophobicContact CZ-CG 4.07Å; L132-L138 CarbonylContact O-C 3.39Å; L132-L138 WeakPolarHBondContact O-CA 3.49Å; L132-L138 WeakPolarHBondContact O-CD1 2.97Å; D133-L138 HydrophobicContact CB-CD1 4.18Å; L138-L160 CarbonylContact O-C 3.58Å; L138-L160 WeakPolarHBondContact O-CA 3.4Å; L138-I161 HydrophobicContact CB-CB 4.4Å; L138-I161 PolarHBondContact N-O 3.42Å; L138-I161 PolarHBondContact O-N 3.18Å
139G94.9Very high93.6Very high1 Ų140 Ų401%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-166.1168.5179.500000114.6V131 L132 T159V131-G139 WeakPolarHBondContact CA-O 3.49Å; L132-G139 PolarHBondContact N-O 3.24Å; L132-G139 PolarHBondContact O-N 3.36Å; G139-T159 CarbonylContact C-O 3.54Å; G139-T159 WeakPolarHBondContact CA-O 3.48Å
140V95Very high93.4Very high1 Ų142.8 Ų42.81%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-139.3131.8173.858.60000108.6F100 H104 A129 V130 V131 T158 T159F100-V140 HydrophobicContact CD1-CG1 4.11Å; F100-V140 HydrophobicContact CD2-CB 4.28Å; F100-V140 HydrophobicContact CE1-CG1 4.12Å; F100-V140 HydrophobicContact CE2-CB 4.34Å; F100-V140 HydrophobicContact CG-CB 4.41Å; F100-V140 HydrophobicContact CG-CG1 4.4Å; F100-V140 HydrophobicContact CZ-CG1 4.42Å; H104-V140 WeakPolarHBondContact CE1-CG1 3.35Å; H104-V140 WeakPolarHBondContact NE2-CG1 3.09Å; A129-V140 HydrophobicContact CB-CG2 4.42Å; V130-V140 CarbonylContact O-C 3.53Å; V130-V140 WeakPolarHBondContact O-CA 3.12Å; V131-V140 HydrophobicContact CG2-CB 4.43Å; V131-V140 HydrophobicContact CG2-CG2 4.21Å; V140-T158 WeakPolarHBondContact O-CA 3.44Å; V140-T159 PolarHBondContact N-O 2.95Å; V140-T159 PolarHBondContact O-N 2.03Å
141Q94.5Very high93.2Very high30 Ų3046 Ų4614%0.1425%0.246CC..EExtended strand (participates in β ladder)trans-111.3130.7172.7175.1179.699.200108.5Q66 F73 A129 V130 T156 T158Q66-Q141 VanDerWaalsContact NE2-NE2 3.2Å; F73-Q141 HydrophobicContact CD1-CB 4.38Å; F73-Q141 HydrophobicContact CE1-CB 4.05Å; F73-Q141 HydrophobicContact CZ-CB 4.45Å; A129-Q141 WeakPolarHBondContact CA-O 3.48Å; V130-Q141 HydrophobicContact CG2-CB 3.74Å; V130-Q141 HydrophobicContact CG2-CG 4.32Å; V130-Q141 PolarHBondContact N-O 3.01Å; V130-Q141 PolarHBondContact O-N 3.03Å; Q141-T156 HydrophobicContact CG-CG2 3.59Å; Q141-T158 HydrophobicContact CB-CG2 4.15Å; Q141-T158 WeakPolarHBondContact CG-OG1 3.45Å; Q141-T158 PolarHBondContact NE2-OG1 2.02Å; Q141-T158 VanDerWaalsContact NE2-OG1 3.15Å
142R94.6Very high93.1Very high8 Ų850.8 Ų50.83%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-112.1129.3174.2-67.5-170.5-179.988.115.4110.2H101 H104 N119 E128 A129 F144 T156 M157H101-R142 PolarHBondContact O-NH2 2.86Å; H104-R142 PolarHBondContact CD2-NH2 3.41Å; H104-R142 PolarHBondContact CE1-NH1 3.02Å; H104-R142 VanDerWaalsContact NE2-CZ 3.25Å; H104-R142 PolarHBondContact NE2-NH1 3.44Å; H104-R142 PolarHBondContact NE2-NH2 3.47Å; N119-R142 PolarHBondContact O-NH1 3.25Å; N119-R142 VanDerWaalsContact O-NH1 3.17Å; E128-R142 CarbonylContact O-C 3.48Å; E128-R142 WeakPolarHBondContact O-CA 3.4Å; A129-R142 HydrophobicContact CB-CG 4.3Å; R142-F144 HydrophobicContact CB-CD2 4.22Å; R142-F144 HydrophobicContact CB-CE1 4.41Å; R142-F144 HydrophobicContact CB-CE2 3.55Å; R142-F144 HydrophobicContact CB-CZ 3.67Å; R142-F144 VanDerWaalsContact CD-CZ 3.42Å; R142-F144 HydrophobicContact CG-CZ 4.22Å; R142-T156 CarbonylContact O-C 3.57Å; R142-T156 VanDerWaalsContact O-CA 3.29Å; R142-T156 WeakPolarHBondContact O-CA 3.18Å; R142-M157 PolarHBondContact N-O 2.85Å; R142-M157 PolarHBondContact O-N 3.32Å
143N94.9Very high93.1Very high50 Ų5052.8 Ų52.827%0.26728%0.28SS..EExtended strand (participates in β ladder)trans-105106.1169.9-63.4-44.7000107.7Y127 E128 A155 T156Y127-N143 CarbonylContact C-O 3.53Å; Y127-N143 WeakPolarHBondContact CA-O 3.29Å; E128-N143 PolarHBondContact N-O 2.77Å; E128-N143 PolarHBondContact O-N 3.17Å; N143-A155 CarbonylContact C-O 3.59Å; N143-T156 WeakPolarHBondContact OD1-CB 3.36Å; N143-T156 WeakPolarHBondContact OD1-CG2 3.01Å; N143-T156 PolarHBondContact OD1-OG1 2.94Å
144F95.5Very high93.2Very high4 Ų455 Ų552%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-89.1142.5175.4-58.7-82.7000109.5I121 Y124 R142 I146 T154 A155 M157I121-F144 HydrophobicContact CB-CD1 4.41Å; I121-F144 HydrophobicContact CB-CD2 4.25Å; I121-F144 HydrophobicContact CB-CE2 4.48Å; I121-F144 HydrophobicContact CB-CG 4.2Å; I121-F144 HydrophobicContact CD1-CB 4.33Å; I121-F144 HydrophobicContact CD1-CD2 3.86Å; I121-F144 HydrophobicContact CD1-CG 4.26Å; I121-F144 HydrophobicContact CG1-CD2 3.99Å; I121-F144 HydrophobicContact CG1-CE2 4.21Å; I121-F144 HydrophobicContact CG1-CG 4.39Å; Y124-F144 AromaticContact CD1-CD1 3.91Å; Y124-F144 HydrophobicContact CD1-CD1 3.91Å; Y124-F144 HydrophobicContact CD1-CE1 4.1Å; Y124-F144 HydrophobicContact CE1-CE1 4.39Å; Y124-F144 AromaticContact CG-CD1 3.93Å; Y124-F144 HydrophobicContact CG-CD1 3.93Å; R142-F144 HydrophobicContact CB-CD2 4.22Å; R142-F144 HydrophobicContact CB-CE1 4.41Å; R142-F144 HydrophobicContact CB-CE2 3.55Å; R142-F144 HydrophobicContact CB-CZ 3.67Å; R142-F144 VanDerWaalsContact CD-CZ 3.42Å; R142-F144 HydrophobicContact CG-CZ 4.22Å; F144-I146 HydrophobicContact CB-CD1 4.44Å; F144-I146 HydrophobicContact CB-CG1 4.04Å; F144-T154 CarbonylContact O-C 3.56Å; F144-T154 WeakPolarHBondContact O-CA 3.33Å; F144-A155 PolarHBondContact N-O 3.11Å; F144-A155 PolarHBondContact O-N 3Å; F144-M157 HydrophobicContact CD2-CG 4.41Å; F144-M157 HydrophobicContact CE2-CB 4.08Å; F144-M157 HydrophobicContact CE2-CG 4.02Å; F144-M157 HydrophobicContact CE2-SD 4.08Å
145S96Very high93.4Very high5 Ų551.6 Ų51.64%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-111.5125.8165.9173.20000107.6E125 K126 E152 V153E125-S145 PolarHBondContact N-O 3.38Å; K126-S145 WeakPolarHBondContact CE-OG 3.27Å; K126-S145 VanDerWaalsContact CG-CB 3.42Å; K126-S145 PolarHBondContact O-N 3.41Å; S145-E152 WeakPolarHBondContact OG-CG 2.98Å; S145-E152 PolarHBondContact OG-OE1 2.68Å; S145-E152 VanDerWaalsContact OG-OE1 3.1Å; S145-V153 WeakPolarHBondContact CA-O 3.44Å
146I94.2Very high93.6Very high1 Ų144.6 Ų44.61%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-132.6139.8-165-33.2165.5000107.9I121 F144 E152 V153 A155 P175 I178I121-I146 HydrophobicContact CD1-CD1 3.64Å; I121-I146 HydrophobicContact CG2-CD1 3.95Å; I121-I146 HydrophobicContact CG2-CG1 4.47Å; F144-I146 HydrophobicContact CB-CD1 4.44Å; F144-I146 HydrophobicContact CB-CG1 4.04Å; I146-E152 WeakPolarHBondContact O-CA 3.35Å; I146-V153 HydrophobicContact CB-CG2 4.4Å; I146-V153 PolarHBondContact N-O 2.96Å; I146-V153 WeakPolarHBondContact O-CG2 3.47Å; I146-V153 PolarHBondContact O-N 2.92Å; I146-A155 HydrophobicContact CD1-CB 3.54Å; I146-P175 HydrophobicContact CD1-CG 4.35Å; I146-I178 HydrophobicContact CD1-CD1 3.88Å
147N91.9Very high93.8Very high79 Ų7936.7 Ų36.742%0.42222%0.216SC..EExtended strand (participates in β ladder)trans-86.8115172.2-157.5-63.2000110E125 G150E125-N147 HydrophobicContact CG-CB 4.44Å; E125-N147 VanDerWaalsContact OE1-CB 3.32Å; E125-N147 WeakPolarHBondContact OE1-CB 3.3Å; E125-N147 PolarHBondContact OE1-ND2 3.15Å; N147-G150 WeakPolarHBondContact OD1-CA 3.38Å; N147-G150 PolarHBondContact OD1-N 2.95Å
148V87.8Confident93.8Very high20 Ų2035.4 Ų35.412%0.12121%0.209CC..EExtended strand (participates in β ladder)trans-118.5113173.3-178.80000108.3G150 T151 V153 P175 A177V148-G150 PolarHBondContact O-N 3.46Å; V148-T151 PolarHBondContact N-O 3.22Å; V148-T151 PolarHBondContact O-N 3.02Å; V148-V153 HydrophobicContact CB-CG2 4.03Å; V148-V153 HydrophobicContact CG2-CG2 3.54Å; V148-P175 HydrophobicContact CG2-CB 4.3Å; V148-P175 HydrophobicContact CG2-CG 4.47Å; V148-A177 HydrophobicContact CG1-CB 3.68Å
149N88.4Confident93.9Very high153 Ų15335.5 Ų35.582%0.81821%0.21SC*.THydrogen-bonded Turntrans5239.1179.7-59.4-34.3000113.6T151N149-T151 VanDerWaalsContact C-N 3.34Å
150G88.6Confident93.9Very high64 Ų6435.6 Ų35.666%0.6621%0.21SC*.THydrogen-bonded Turntrans84.12.1179.600000115N147 V148N147-G150 WeakPolarHBondContact OD1-CA 3.38Å; N147-G150 PolarHBondContact OD1-N 2.95Å; V148-G150 PolarHBondContact O-N 3.46Å
151T91.6Very high94Very high87 Ų8735.6 Ų35.653%0.53421%0.21SC..EExtended strand (participates in β ladder)trans-110.6129.1175.9-56.10000110.6V148 N149 V153V148-T151 PolarHBondContact N-O 3.22Å; V148-T151 PolarHBondContact O-N 3.02Å; N149-T151 VanDerWaalsContact C-N 3.34Å; T151-V153 HydrophobicContact CG2-CG1 4.26Å; T151-V153 PolarHBondContact O-N 2.88Å
152E92.5Very high94.1Very high101 Ų10136.1 Ų36.147%0.47221%0.212SC..EExtended strand (participates in β ladder)trans-72.3117.9172.1-166.5-174.8-109.100109K126 S145 I146K126-E152 IonicContact NZ-OE1 2.92Å; K126-E152 PolarHBondContact NZ-OE1 2.91Å; K126-E152 IonicContact NZ-OE2 3.61Å; K126-E152 PolarHBondContact NZ-OE2 3.32Å; S145-E152 WeakPolarHBondContact OG-CG 2.98Å; S145-E152 PolarHBondContact OG-OE1 2.68Å; S145-E152 VanDerWaalsContact OG-OE1 3.1Å; I146-E152 WeakPolarHBondContact O-CA 3.35Å
153V94.8Very high94.1Very high42 Ų4238.4 Ų38.426%0.25523%0.228SC..EExtended strand (participates in β ladder)trans-122.8153.2176.3-65.10000110S145 I146 V148 T151 P175S145-V153 WeakPolarHBondContact CA-O 3.44Å; I146-V153 HydrophobicContact CB-CG2 4.4Å; I146-V153 PolarHBondContact N-O 2.96Å; I146-V153 WeakPolarHBondContact O-CG2 3.47Å; I146-V153 PolarHBondContact O-N 2.92Å; V148-V153 HydrophobicContact CB-CG2 4.03Å; V148-V153 HydrophobicContact CG2-CG2 3.54Å; T151-V153 HydrophobicContact CG2-CG1 4.26Å; T151-V153 PolarHBondContact O-N 2.88Å; V153-P175 HydrophobicContact CB-CG 4.17Å; V153-P175 HydrophobicContact CG2-CB 4.07Å; V153-P175 HydrophobicContact CG2-CG 3.42Å; V153-P175 VanDerWaalsContact CG2-CG 3.42Å
154T94.8Very high94Very high84 Ų8440.7 Ų40.752%0.51524%0.24SC..EExtended strand (participates in β ladder)trans-101.6144.1178.455.40000111F144F144-T154 CarbonylContact O-C 3.56Å; F144-T154 WeakPolarHBondContact O-CA 3.33Å
155A96.5Very high93.9Very high0 Ų040.5 Ų40.50%024%0.24CC..EExtended strand (participates in β ladder)trans-133.9140.2170.400000110.1I121 N143 F144 I146 N173 I174I121-A155 HydrophobicContact CD1-CB 3.39Å; N143-A155 CarbonylContact C-O 3.59Å; F144-A155 PolarHBondContact N-O 3.11Å; F144-A155 PolarHBondContact O-N 3Å; I146-A155 HydrophobicContact CD1-CB 3.54Å; A155-N173 WeakPolarHBondContact CA-O 3.48Å; A155-I174 HydrophobicContact CB-CD1 4.01Å
156T95.7Very high93.9Very high13 Ų1341.4 Ų41.48%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-118.2125.8-176.9-59.70000110.2Q141 R142 N143 D172Q141-T156 HydrophobicContact CG-CG2 3.59Å; R142-T156 CarbonylContact O-C 3.57Å; R142-T156 VanDerWaalsContact O-CA 3.29Å; R142-T156 WeakPolarHBondContact O-CA 3.18Å; N143-T156 WeakPolarHBondContact OD1-CB 3.36Å; N143-T156 WeakPolarHBondContact OD1-CG2 3.01Å; N143-T156 PolarHBondContact OD1-OG1 2.94Å; T156-D172 WeakPolarHBondContact CA-O 3.49Å; T156-D172 PolarHBondContact N-O 3.26Å; T156-D172 PolarHBondContact O-N 3.34Å; T156-D172 VanDerWaalsContact O-O 3.09Å
157M96.1Very high94Very high1 Ų141.4 Ų41.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-123.7121.5174.4-61.1-170.4156.900109.4N119 I121 R142 F144 Y171 I174 L183 I209N119-M157 PolarHBondContact OD1-SD 3.11Å; I121-M157 HydrophobicContact CD1-CE 3.8Å; I121-M157 HydrophobicContact CD1-SD 4.26Å; I121-M157 HydrophobicContact CG1-CE 3.36Å; I121-M157 HydrophobicContact CG1-CG 4.49Å; I121-M157 HydrophobicContact CG1-SD 3.65Å; R142-M157 PolarHBondContact N-O 2.85Å; R142-M157 PolarHBondContact O-N 3.32Å; F144-M157 HydrophobicContact CD2-CG 4.41Å; F144-M157 HydrophobicContact CE2-CB 4.08Å; F144-M157 HydrophobicContact CE2-CG 4.02Å; F144-M157 HydrophobicContact CE2-SD 4.08Å; M157-Y171 HydrophobicContact CB-CD1 4.5Å; M157-Y171 HydrophobicContact CE-CD1 4.16Å; M157-Y171 HydrophobicContact CE-CE1 4.31Å; M157-Y171 HydrophobicContact CG-CD1 4.06Å; M157-I174 HydrophobicContact CE-CD1 4.05Å; M157-I174 HydrophobicContact CG-CD1 4.24Å; M157-L183 HydrophobicContact CE-CD2 3.78Å; M157-I209 HydrophobicContact CE-CG2 3.57Å
158T96Very high94.3Very high0 Ų037.8 Ų37.80%023%0.225CC..EExtended strand (participates in β ladder)trans-109.9135.8178.2-52.20000109.9Q66 F73 N119 V140 Q141 L160 F169 Y170Q66-T158 PolarHBondContact NE2-OG1 3.3Å; F73-T158 HydrophobicContact CZ-CG2 4.42Å; N119-T158 PolarHBondContact ND2-O 2.9Å; N119-T158 VanDerWaalsContact ND2-O 3.09Å; V140-T158 WeakPolarHBondContact O-CA 3.44Å; Q141-T158 HydrophobicContact CB-CG2 4.15Å; Q141-T158 WeakPolarHBondContact CG-OG1 3.45Å; Q141-T158 PolarHBondContact NE2-OG1 2.02Å; Q141-T158 VanDerWaalsContact NE2-OG1 3.15Å; T158-L160 HydrophobicContact CG2-CD2 3.78Å; T158-L160 HydrophobicContact CG2-CG 4.03Å; T158-F169 CarbonylContact O-C 3.5Å; T158-F169 VanDerWaalsContact O-CA 3.27Å; T158-F169 WeakPolarHBondContact O-CA 3.46Å; T158-Y170 PolarHBondContact N-O 3.09Å; T158-Y170 PolarHBondContact O-N 2.68Å
159T96.7Very high94.8Very high1 Ų136.9 Ų36.91%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-114.9127.7167.5-66.60000108.9I117 N119 G139 V140 V167 S168 F169I117-T159 HydrophobicContact CG2-CG2 3.91Å; N119-T159 VanDerWaalsContact CB-OG1 3.26Å; N119-T159 WeakPolarHBondContact CB-OG1 3.22Å; N119-T159 PolarHBondContact ND2-OG1 3.06Å; G139-T159 CarbonylContact C-O 3.54Å; G139-T159 WeakPolarHBondContact CA-O 3.48Å; V140-T159 PolarHBondContact N-O 2.95Å; V140-T159 PolarHBondContact O-N 2.03Å; T159-V167 HydrophobicContact CG2-CG1 4.3Å; T159-S168 CarbonylContact C-O 3.59Å; T159-S168 WeakPolarHBondContact CA-O 3.39Å; T159-F169 HydrophobicContact CG2-CD1 4.06Å; T159-F169 HydrophobicContact CG2-CE1 3.82Å; T159-F169 WeakPolarHBondContact OG1-CD1 3.23Å
160L96.6Very high95.3Very high4 Ų430.4 Ų30.42%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-120148.9172.8-49.2169.6000110.2V68 F73 L132 L137 L138 T158 V167 S168V68-L160 HydrophobicContact CG2-CD1 3.78Å; V68-L160 HydrophobicContact CG2-CD2 4.09Å; F73-L160 HydrophobicContact CZ-CD2 4.5Å; L132-L160 HydrophobicContact CD2-CD2 4.22Å; L137-L160 HydrophobicContact CD1-CB 4.09Å; L137-L160 HydrophobicContact CD2-CD1 4.42Å; L137-L160 HydrophobicContact CD2-CD2 4.47Å; L138-L160 CarbonylContact O-C 3.58Å; L138-L160 WeakPolarHBondContact O-CA 3.4Å; T158-L160 HydrophobicContact CG2-CD2 3.78Å; T158-L160 HydrophobicContact CG2-CG 4.03Å; L160-V167 WeakPolarHBondContact O-CA 3.37Å; L160-S168 WeakPolarHBondContact CB-OG 3.32Å; L160-S168 PolarHBondContact N-O 2.79Å; L160-S168 PolarHBondContact O-N 3.02Å
161I97.3Very high95.7Very high0 Ų027.4 Ų27.40%015%0.152CC..EExtended strand (participates in β ladder)trans-129.3125.4-180-59.2174.7000107.2F86 F88 I98 I117 L138F86-I161 HydrophobicContact CE2-CG2 4.45Å; F86-I161 WeakPolarHBondContact CZ-O 3.48Å; F88-I161 HydrophobicContact CD1-CG2 4.37Å; F88-I161 HydrophobicContact CD2-CG2 4.06Å; F88-I161 HydrophobicContact CE1-CG2 3.99Å; F88-I161 HydrophobicContact CE2-CG2 3.66Å; F88-I161 HydrophobicContact CG-CG2 4.4Å; F88-I161 HydrophobicContact CZ-CG2 3.63Å; I98-I161 HydrophobicContact CD1-CD1 3.44Å; I98-I161 VanDerWaalsContact CD1-CD1 3.44Å; I117-I161 HydrophobicContact CD1-CD1 4.08Å; L138-I161 HydrophobicContact CB-CB 4.4Å; L138-I161 PolarHBondContact N-O 3.42Å; L138-I161 PolarHBondContact O-N 3.18Å
162H95.5Very high95.9Very high42 Ų4225.9 Ų25.919%0.19414%0.141CC..  trans-103.5157.8-175.4-62.4-100.3000111.5L137 N164 G165 M166 S168L137-H162 VanDerWaalsContact CD1-CE1 3.48Å; L137-H162 WeakPolarHBondContact CD1-CE1 3.43Å; H162-N164 VanDerWaalsContact CB-OD1 3.22Å; H162-N164 WeakPolarHBondContact CB-OD1 3.49Å; H162-N164 PolarHBondContact O-N 3.07Å; H162-G165 PolarHBondContact O-N 3.43Å; H162-M166 HydrophobicContact CB-CB 4.2Å; H162-M166 PolarHBondContact CD2-O 3.48Å; H162-M166 PolarHBondContact N-O 3.38Å; H162-S168 PolarHBondContact NE2-OG 3.39Å
163P94.6Very high96Very high55 Ų5525 Ų2536%0.35714%0.139SC..THydrogen-bonded Turntrans-58.9-28.6179.3-27.535.3000115.1F86 F88 K136 G165F86-P163 HydrophobicContact CB-CB 4.43Å; F86-P163 HydrophobicContact CB-CG 4.43Å; F86-P163 HydrophobicContact CD1-CG 4.32Å; F86-P163 HydrophobicContact CD2-CB 3.99Å; F86-P163 HydrophobicContact CD2-CG 4.05Å; F86-P163 HydrophobicContact CE2-CG 4.35Å; F86-P163 HydrophobicContact CG-CB 4.25Å; F86-P163 HydrophobicContact CG-CG 4.01Å; F88-P163 WeakPolarHBondContact CB-O 3.23Å; K136-P163 WeakPolarHBondContact O-CD 3.46Å; P163-G165 PolarHBondContact O-N 2.89Å
164N91.9Very high96.1Very high98 Ų9823.6 Ų23.652%0.52413%0.13SC..THydrogen-bonded Turntrans-75.3-0.717566.1-7.7000113.4H162 M166H162-N164 VanDerWaalsContact CB-OD1 3.22Å; H162-N164 WeakPolarHBondContact CB-OD1 3.49Å; H162-N164 PolarHBondContact O-N 3.07Å; N164-M166 VanDerWaalsContact C-N 3.33Å; N164-M166 WeakPolarHBondContact OD1-CB 3.34Å; N164-M166 PolarHBondContact OD1-N 3.24Å
165G94.3Very high96Very high1 Ų120.6 Ų20.61%0.0111%0.112CC..SBendtrans84.23.8-177.200000114.6H162 P163H162-G165 PolarHBondContact O-N 3.43Å; P163-G165 PolarHBondContact O-N 2.89Å
166M95.6Very high95.8Very high24 Ų2427.8 Ų27.812%0.11816%0.156CC..  trans-65.7137.7171.4-173.2175.775.600110.1H162 N164 E216 F217H162-M166 HydrophobicContact CB-CB 4.2Å; H162-M166 PolarHBondContact CD2-O 3.48Å; H162-M166 PolarHBondContact N-O 3.38Å; N164-M166 VanDerWaalsContact C-N 3.33Å; N164-M166 WeakPolarHBondContact OD1-CB 3.34Å; N164-M166 PolarHBondContact OD1-N 3.24Å; M166-E216 HydrophobicContact SD-CB 4.35Å; M166-F217 WeakPolarHBondContact CA-O 3.17Å; M166-F217 WeakPolarHBondContact CG-O 3.45Å
167V97.8Very high95.6Very high0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-114.3130.1173.7179.90000107.6Y90 I117 T159 L160 F169 I187 F217Y90-V167 HydrophobicContact CD2-CG2 4.49Å; Y90-V167 HydrophobicContact CE2-CG2 4.47Å; I117-V167 HydrophobicContact CD1-CG1 4.1Å; I117-V167 HydrophobicContact CD1-CG2 3.93Å; I117-V167 HydrophobicContact CG2-CG1 4.27Å; T159-V167 HydrophobicContact CG2-CG1 4.3Å; L160-V167 WeakPolarHBondContact O-CA 3.37Å; V167-F169 HydrophobicContact CG1-CD1 4.37Å; V167-F169 HydrophobicContact CG1-CE1 3.76Å; V167-F169 HydrophobicContact CG1-CZ 4.36Å; V167-I187 HydrophobicContact CG1-CG2 4.18Å; V167-F217 HydrophobicContact CB-CB 4.43Å; V167-F217 HydrophobicContact CB-CD2 4.42Å; V167-F217 PolarHBondContact N-O 3.24Å; V167-F217 VanDerWaalsContact N-O 3.1Å; V167-F217 WeakPolarHBondContact O-CD2 3.43Å; V167-F217 PolarHBondContact O-N 2.83Å
168S97.7Very high95.4Very high4 Ų430.8 Ų30.83%0.02818%0.18CC..EExtended strand (participates in β ladder)trans-122.5143175.958.80000112T159 L160 H162 V215T159-S168 CarbonylContact C-O 3.59Å; T159-S168 WeakPolarHBondContact CA-O 3.39Å; L160-S168 WeakPolarHBondContact CB-OG 3.32Å; L160-S168 PolarHBondContact N-O 2.79Å; L160-S168 PolarHBondContact O-N 3.02Å; H162-S168 PolarHBondContact NE2-OG 3.39Å; S168-V215 CarbonylContact C-O 3.58Å; S168-V215 WeakPolarHBondContact CA-O 3.43Å; S168-V215 WeakPolarHBondContact CB-O 3.37Å
169F98.2Very high95.2Very high0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-114.4132.4171-55.9-29.5000109.5I117 N119 T158 T159 V167 Y171 I187 V204 L214 V215 F217I117-F169 HydrophobicContact CG2-CE1 3.52Å; I117-F169 HydrophobicContact CG2-CZ 3.69Å; N119-F169 HydrophobicContact CB-CD1 4.19Å; N119-F169 HydrophobicContact CB-CE1 4.14Å; N119-F169 HydrophobicContact CB-CZ 4.4Å; T158-F169 CarbonylContact O-C 3.5Å; T158-F169 VanDerWaalsContact O-CA 3.27Å; T158-F169 WeakPolarHBondContact O-CA 3.46Å; T159-F169 HydrophobicContact CG2-CD1 4.06Å; T159-F169 HydrophobicContact CG2-CE1 3.82Å; T159-F169 WeakPolarHBondContact OG1-CD1 3.23Å; V167-F169 HydrophobicContact CG1-CD1 4.37Å; V167-F169 HydrophobicContact CG1-CE1 3.76Å; V167-F169 HydrophobicContact CG1-CZ 4.36Å; F169-Y171 HydrophobicContact CB-CE1 4.1Å; F169-I187 HydrophobicContact CE2-CG2 4.41Å; F169-I187 HydrophobicContact CZ-CG2 3.78Å; F169-V204 HydrophobicContact CD2-CG2 4.02Å; F169-V204 HydrophobicContact CE2-CG2 4.27Å; F169-L214 CarbonylContact O-C 3.51Å; F169-L214 WeakPolarHBondContact O-CA 3.34Å; F169-V215 HydrophobicContact CB-CB 4.23Å; F169-V215 PolarHBondContact N-O 3.2Å; F169-V215 PolarHBondContact O-N 3.39Å; F169-F217 AromaticContact CD2-CE2 3.65Å; F169-F217 HydrophobicContact CD2-CE2 3.65Å; F169-F217 HydrophobicContact CD2-CZ 4.34Å; F169-F217 HydrophobicContact CE2-CD2 4.4Å; F169-F217 AromaticContact CE2-CE2 3.41Å; F169-F217 HydrophobicContact CE2-CE2 3.41Å; F169-F217 VanDerWaalsContact CE2-CE2 3.41Å; F169-F217 AromaticContact CE2-CZ 3.99Å; F169-F217 HydrophobicContact CE2-CZ 3.99Å; F169-F217 HydrophobicContact CG-CE2 4.39Å; F169-F217 AromaticContact CZ-CE2 3.98Å; F169-F217 HydrophobicContact CZ-CE2 3.98Å
170Y97.9Very high95Very high18 Ų1842.6 Ų42.67%0.07124%0.235CC..EExtended strand (participates in β ladder)trans-121.1137171.2-176.2-102.9000110.1Q64 S65 Q66 T158 D172 L214Q64-Y170 HydrophobicContact CB-CE2 4.31Å; Q64-Y170 VanDerWaalsContact O-CE2 3.28Å; Q64-Y170 WeakPolarHBondContact O-CE2 3.28Å; Q64-Y170 PolarHBondContact O-OH 3.35Å; S65-Y170 WeakPolarHBondContact CA-OH 3.42Å; Q66-Y170 HydrophobicContact CB-CD1 3.99Å; Q66-Y170 HydrophobicContact CB-CE1 3.57Å; Q66-Y170 HydrophobicContact CG-CD1 4.36Å; Q66-Y170 HydrophobicContact CG-CE1 4.38Å; Q66-Y170 VanDerWaalsContact N-CZ 3.27Å; Q66-Y170 PolarHBondContact N-OH 3.15Å; T158-Y170 PolarHBondContact N-O 3.09Å; T158-Y170 PolarHBondContact O-N 2.68Å; Y170-D172 HydrophobicContact CD1-CB 4.31Å; Y170-D172 HydrophobicContact CE1-CB 3.78Å; Y170-L214 HydrophobicContact CD2-CB 4.39Å; Y170-L214 HydrophobicContact CD2-CD1 4.47Å
171Y97.8Very high94.7Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-116.9126.8-179.3-49.4-59.4000110.3N119 M157 F169 S185 I209 S211 G212 T213 V215N119-Y171 WeakPolarHBondContact OD1-CE1 3.33Å; M157-Y171 HydrophobicContact CB-CD1 4.5Å; M157-Y171 HydrophobicContact CE-CD1 4.16Å; M157-Y171 HydrophobicContact CE-CE1 4.31Å; M157-Y171 HydrophobicContact CG-CD1 4.06Å; F169-Y171 HydrophobicContact CB-CE1 4.1Å; Y171-S185 WeakPolarHBondContact CE1-OG 3.41Å; Y171-S185 WeakPolarHBondContact OH-CB 3.31Å; Y171-S185 PolarHBondContact OH-OG 2.83Å; Y171-I209 HydrophobicContact CD1-CG2 3.86Å; Y171-I209 HydrophobicContact CD2-CB 4.44Å; Y171-I209 HydrophobicContact CD2-CG2 4.13Å; Y171-I209 HydrophobicContact CE1-CG2 3.85Å; Y171-I209 HydrophobicContact CE2-CB 4.24Å; Y171-I209 HydrophobicContact CE2-CG1 4.03Å; Y171-I209 HydrophobicContact CE2-CG2 4.14Å; Y171-I209 HydrophobicContact CG-CG2 4Å; Y171-S211 CarbonylContact O-C 3.49Å; Y171-S211 WeakPolarHBondContact O-CA 3.27Å; Y171-G212 PolarHBondContact O-N 2.99Å; Y171-T213 HydrophobicContact CD2-CG2 4.46Å; Y171-T213 PolarHBondContact N-O 3.09Å; Y171-T213 VanDerWaalsContact N-O 3.08Å; Y171-V215 HydrophobicContact CE2-CG2 3.73Å
172D95.8Very high94.6Very high56 Ų5649.3 Ų49.330%0.29927%0.268SS..EExtended strand (participates in β ladder)trans-132.3148.9177.2-167.723.7000110.5T156 Y170 I174T156-D172 WeakPolarHBondContact CA-O 3.49Å; T156-D172 PolarHBondContact N-O 3.26Å; T156-D172 PolarHBondContact O-N 3.34Å; T156-D172 VanDerWaalsContact O-O 3.09Å; Y170-D172 HydrophobicContact CD1-CB 4.31Å; Y170-D172 HydrophobicContact CE1-CB 3.78Å; D172-I174 PolarHBondContact O-N 3.4Å
173N94.9Very high94.6Very high83 Ų8348 Ų4844%0.44426%0.263SS..SBendtrans50.829.4-178.8-55.9-53.4000115A155 P175 S211A155-N173 WeakPolarHBondContact CA-O 3.48Å; N173-P175 VanDerWaalsContact O-CD 3.25Å; N173-P175 WeakPolarHBondContact O-CD 3.42Å; N173-S211 PolarHBondContact N-OG 3.18Å
174I96Very high94.7Very high11 Ų1149.4 Ų49.46%0.05626%0.263CS..  trans-68.2119.3175.2-51-54.4000109.8A155 M157 D172 I178 L183 S211A155-I174 HydrophobicContact CB-CD1 4.01Å; M157-I174 HydrophobicContact CE-CD1 4.05Å; M157-I174 HydrophobicContact CG-CD1 4.24Å; D172-I174 PolarHBondContact O-N 3.4Å; I174-I178 HydrophobicContact CG2-CG2 4.23Å; I174-L183 HydrophobicContact CG2-CD1 4.46Å; I174-L183 HydrophobicContact CG2-CD2 4.13Å; I174-S211 PolarHBondContact N-OG 2.86Å; I174-S211 PolarHBondContact O-OG 2.86Å
175P94.1Very high94.9Very high22 Ų2244.9 Ų44.914%0.14324%0.24CC..  trans-63.1137179.1-21.132.6000111.4I146 V148 V153 N173 A177 I178I146-P175 HydrophobicContact CD1-CG 4.35Å; V148-P175 HydrophobicContact CG2-CB 4.3Å; V148-P175 HydrophobicContact CG2-CG 4.47Å; V153-P175 HydrophobicContact CB-CG 4.17Å; V153-P175 HydrophobicContact CG2-CB 4.07Å; V153-P175 HydrophobicContact CG2-CG 3.42Å; V153-P175 VanDerWaalsContact CG2-CG 3.42Å; N173-P175 VanDerWaalsContact O-CD 3.25Å; N173-P175 WeakPolarHBondContact O-CD 3.42Å; P175-A177 VanDerWaalsContact C-N 3.27Å; P175-A177 PolarHBondContact O-N 3.04Å; P175-I178 HydrophobicContact CB-CB 4.5Å; P175-I178 WeakPolarHBondContact O-CG2 3.46Å; P175-I178 PolarHBondContact O-N 3.15Å
176T92.1Very high95.1Very high151 Ų15146.3 Ų46.393%0.92625%0.246SC*.THydrogen-bonded Turntrans-70.8-22.4-179.550.50000113.9
177A91.2Very high95.1Very high58 Ų5845.1 Ų45.148%0.47924%0.24SC..THydrogen-bonded Turntrans-92.81.9-178.500000113.7V148 P175V148-A177 HydrophobicContact CG1-CB 3.68Å; P175-A177 VanDerWaalsContact C-N 3.27Å; P175-A177 PolarHBondContact O-N 3.04Å
178I91.7Very high95Very high19 Ų1945.6 Ų45.610%0.09724%0.243CC..SBendtrans-68.9142.5175.1-160.3174.3000110.6I121 I146 I174 P175 E182 L183I121-I178 HydrophobicContact CD1-CD1 4.39Å; I121-I178 HydrophobicContact CG2-CD1 3.64Å; I146-I178 HydrophobicContact CD1-CD1 3.88Å; I174-I178 HydrophobicContact CG2-CG2 4.23Å; P175-I178 HydrophobicContact CB-CB 4.5Å; P175-I178 WeakPolarHBondContact O-CG2 3.46Å; P175-I178 PolarHBondContact O-N 3.15Å; I178-E182 HydrophobicContact CD1-CB 4.31Å; I178-E182 HydrophobicContact CG1-CB 4.26Å; I178-E182 WeakPolarHBondContact CG1-OE2 3.24Å; I178-L183 HydrophobicContact CD1-CD2 3.88Å; I178-L183 HydrophobicContact CD1-CG 4.43Å; I178-L183 HydrophobicContact CG2-CD1 3.78Å; I178-L183 HydrophobicContact CG2-CD2 4.04Å; I178-L183 HydrophobicContact CG2-CG 4.02Å
179E91.2Very high94.9Very high127 Ų12745.6 Ų45.659%0.59324%0.243SC*.  trans-73.5136.5177.5-63.4-172.5176.700111.2I181 E182E179-I181 HydrophobicContact CB-CG2 4.04Å; E179-I181 PolarHBondContact O-N 2.87Å; E179-E182 HydrophobicContact CB-CG 4.29Å; E179-E182 WeakPolarHBondContact O-CB 3.36Å; E179-E182 PolarHBondContact O-N 2.91Å
180E92.3Very high94.6Very high121 Ų12146.2 Ų46.257%0.56525%0.247SC*.THydrogen-bonded Turntrans-56.6-27.5-179.7-75.8-166.7-178.400113.5E182 L183 A206E180-E182 PolarHBondContact O-N 3.33Å; E180-L183 PolarHBondContact O-N 3.14Å; E180-A206 HydrophobicContact CB-CB 3.62Å; E180-A206 HydrophobicContact CG-CB 3.88Å; E180-A206 WeakPolarHBondContact O-CB 3.4Å
181I92Very high94.2Very high117 Ų11745.7 Ų45.760%0.625%0.245SC*.THydrogen-bonded Turntrans-70-19.3179.2-165.6163000113.6E179E179-I181 HydrophobicContact CB-CG2 4.04Å; E179-I181 PolarHBondContact O-N 2.87Å
182E93.4Very high93.8Very high28 Ų2855 Ų5513%0.13128%0.28CS..THydrogen-bonded Turntrans-83.5-25.9178-60.1-170.9149.600112I121 K122 N123 I178 E179 E180I121-E182 CarbonylContact C-O 3.58Å; I121-E182 WeakPolarHBondContact CA-O 3.27Å; K122-E182 HydrophobicContact CB-CB 4.27Å; K122-E182 PolarHBondContact N-O 3.04Å; N123-E182 PolarHBondContact ND2-OE1 3.01Å; I178-E182 HydrophobicContact CD1-CB 4.31Å; I178-E182 HydrophobicContact CG1-CB 4.26Å; I178-E182 WeakPolarHBondContact CG1-OE2 3.24Å; E179-E182 HydrophobicContact CB-CG 4.29Å; E179-E182 WeakPolarHBondContact O-CB 3.36Å; E179-E182 PolarHBondContact O-N 2.91Å; E180-E182 PolarHBondContact O-N 3.33Å
183L95.9Very high93.4Very high14 Ų1453 Ų537%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-84.3120-178.9-60.9173.1000110.7I121 M157 I174 I178 E180 I209I121-L183 HydrophobicContact CD1-CD2 4.25Å; I121-L183 HydrophobicContact CG1-CD2 4.05Å; M157-L183 HydrophobicContact CE-CD2 3.78Å; I174-L183 HydrophobicContact CG2-CD1 4.46Å; I174-L183 HydrophobicContact CG2-CD2 4.13Å; I178-L183 HydrophobicContact CD1-CD2 3.88Å; I178-L183 HydrophobicContact CD1-CG 4.43Å; I178-L183 HydrophobicContact CG2-CD1 3.78Å; I178-L183 HydrophobicContact CG2-CD2 4.04Å; I178-L183 HydrophobicContact CG2-CG 4.02Å; E180-L183 PolarHBondContact O-N 3.14Å; L183-I209 HydrophobicContact CB-CB 4.28Å; L183-I209 HydrophobicContact CB-CD1 3.9Å; L183-I209 HydrophobicContact CB-CG2 4.14Å; L183-I209 HydrophobicContact CD1-CB 4.01Å; L183-I209 HydrophobicContact CD1-CG2 4.08Å; L183-I209 HydrophobicContact CD2-CG2 3.96Å; L183-I209 HydrophobicContact CG-CG2 4.3Å
184K96Very high93.1Very high85 Ų8557.3 Ų57.337%0.3729%0.293SS..EExtended strand (participates in β ladder)trans-136.8114.5-178.6-78.6-173.8165.8-1670113.1I118 N119 Y120 K122I118-K184 HydrophobicContact CG2-CB 4.43Å; N119-K184 WeakPolarHBondContact CA-O 3.5Å; Y120-K184 HydrophobicContact CD1-CB 3.72Å; Y120-K184 HydrophobicContact CD1-CD 4.46Å; Y120-K184 HydrophobicContact CE1-CB 3.47Å; Y120-K184 VanDerWaalsContact CE1-CB 3.47Å; Y120-K184 HydrophobicContact CE1-CD 3.41Å; Y120-K184 VanDerWaalsContact CE1-CD 3.41Å; Y120-K184 HydrophobicContact CE1-CG 4.09Å; Y120-K184 PolarHBondContact N-O 3.26Å; Y120-K184 PolarHBondContact O-N 3.43Å; Y120-K184 VanDerWaalsContact O-O 3.13Å; Y120-K184 WeakPolarHBondContact OH-CD 2.78Å; K122-K184 HydrophobicContact CD-CD 4.46Å; K122-K184 VanDerWaalsContact CE-NZ 3.31Å
185S97.8Very high92.6Very high4 Ų464.1 Ų64.13%0.02833%0.33CS..EExtended strand (participates in β ladder)trans-133.6123.4171.9-52.80000110.6I118 N119 Y171 V204I118-S185 CarbonylContact O-C 3.47Å; I118-S185 VanDerWaalsContact O-CA 3.24Å; I118-S185 WeakPolarHBondContact O-CA 3.49Å; N119-S185 PolarHBondContact OD1-OG 2.85Å; Y171-S185 WeakPolarHBondContact CE1-OG 3.41Å; Y171-S185 WeakPolarHBondContact OH-CB 3.31Å; Y171-S185 PolarHBondContact OH-OG 2.83Å; S185-V204 PolarHBondContact O-N 2.93Å
186E97.1Very high92.4Very high30 Ų3064.6 Ų64.614%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-153.6140.6-174.2-176.5173.9164.600111I118 I202 R203I118-E186 HydrophobicContact CB-CB 4.31Å; I118-E186 PolarHBondContact N-O 2.97Å; I118-E186 PolarHBondContact O-N 3.19Å; E186-I202 VanDerWaalsContact CA-O 3.27Å; E186-I202 WeakPolarHBondContact CA-O 3.36Å; E186-R203 HydrophobicContact CB-CG 4.03Å; E186-R203 HydrophobicContact CG-CG 3.75Å; E186-R203 IonicContact OE1-NE 2.71Å; E186-R203 WeakPolarHBondContact OE2-CG 3.4Å; E186-R203 IonicContact OE2-CZ 3.35Å; E186-R203 IonicContact OE2-NE 2.72Å; E186-R203 PolarHBondContact OE2-NE 2.91Å; E186-R203 IonicContact OE2-NH2 2.77Å
187I97.4Very high92.3Very high0 Ų063.5 Ų63.50%032%0.319CS..EExtended strand (participates in β ladder)trans-107.313516162.8163.1000109.1Y56 Y90 Y91 I117 V167 F169 G201 I202 F217Y56-I187 HydrophobicContact CD1-CD1 3.96Å; Y56-I187 HydrophobicContact CD2-CD1 4.33Å; Y56-I187 HydrophobicContact CE1-CD1 4.12Å; Y56-I187 HydrophobicContact CG-CD1 4.08Å; Y90-I187 HydrophobicContact CE2-CB 4.46Å; Y91-I187 HydrophobicContact CE2-CD1 4.15Å; Y91-I187 PolarHBondContact OH-O 3.32Å; I117-I187 HydrophobicContact CG1-CG2 4.15Å; I117-I187 HydrophobicContact CG2-CG2 4.31Å; V167-I187 HydrophobicContact CG1-CG2 4.18Å; F169-I187 HydrophobicContact CE2-CG2 4.41Å; F169-I187 HydrophobicContact CZ-CG2 3.78Å; I187-G201 CarbonylContact O-C 3.44Å; I187-G201 WeakPolarHBondContact O-CA 3.17Å; I187-I202 HydrophobicContact CD1-CD1 4.21Å; I187-I202 HydrophobicContact CG1-CB 4.03Å; I187-I202 HydrophobicContact CG1-CD1 4.36Å; I187-I202 PolarHBondContact N-O 2.85Å; I187-I202 VanDerWaalsContact N-O 3.07Å; I187-I202 PolarHBondContact O-N 3.19Å; I187-F217 HydrophobicContact CD1-CB 3.61Å; I187-F217 HydrophobicContact CD1-CD1 3.52Å; I187-F217 HydrophobicContact CD1-CD2 4.25Å; I187-F217 HydrophobicContact CD1-CE1 4.23Å; I187-F217 HydrophobicContact CD1-CG 3.52Å; I187-F217 HydrophobicContact CG1-CD1 3.82Å; I187-F217 HydrophobicContact CG1-CD2 4.46Å; I187-F217 HydrophobicContact CG1-CE1 4Å; I187-F217 HydrophobicContact CG1-CG 4.05Å; I187-F217 HydrophobicContact CG1-CZ 4.39Å; I187-F217 HydrophobicContact CG2-CD2 3.98Å; I187-F217 HydrophobicContact CG2-CE2 4.09Å; I187-F217 HydrophobicContact CG2-CG 4.34Å
188S95.7Very high92.2Very high9 Ų963.9 Ų63.96%0.06331%0.31CS..EExtended strand (participates in β ladder)trans-142.6153.4-178.464.10000112.8Y90 G115 T116 P200Y90-S188 VanDerWaalsContact CE1-O 3.26Å; Y90-S188 WeakPolarHBondContact CE1-O 3.42Å; Y90-S188 PolarHBondContact OH-N 3.29Å; Y90-S188 PolarHBondContact OH-O 3.5Å; G115-S188 CarbonylContact C-O 3.54Å; G115-S188 VanDerWaalsContact CA-O 3.25Å; G115-S188 WeakPolarHBondContact CA-O 3.44Å; T116-S188 PolarHBondContact N-O 3.27Å; T116-S188 PolarHBondContact O-N 2.67Å; T116-S188 PolarHBondContact O-OG 2.94Å; T116-S188 VanDerWaalsContact O-OG 3.09Å; S188-P200 WeakPolarHBondContact CA-O 3.22Å
189I94.4Very high92.2Very high5 Ų569.4 Ų69.43%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-117.5143175.9-170.7-164000110.4Y91 I114 I191 Y199 P200Y91-I189 VanDerWaalsContact CB-CD1 3.47Å; Y91-I189 HydrophobicContact CD1-CB 3.82Å; Y91-I189 HydrophobicContact CD1-CD1 4.23Å; Y91-I189 HydrophobicContact CD1-CG1 4.47Å; Y91-I189 HydrophobicContact CD1-CG2 3.58Å; Y91-I189 HydrophobicContact CD2-CB 3.91Å; Y91-I189 HydrophobicContact CE1-CB 4.16Å; Y91-I189 HydrophobicContact CE1-CG2 3.73Å; Y91-I189 HydrophobicContact CE2-CB 4.23Å; Y91-I189 HydrophobicContact CG-CB 3.67Å; Y91-I189 HydrophobicContact CG-CD1 3.99Å; Y91-I189 HydrophobicContact CG-CG1 4.08Å; Y91-I189 HydrophobicContact CG-CG2 4Å; I114-I189 WeakPolarHBondContact O-CG1 3.36Å; I189-I191 HydrophobicContact CD1-CG1 4.17Å; I189-I191 HydrophobicContact CG2-CD1 4.12Å; I189-I191 HydrophobicContact CG2-CG1 4.06Å; I189-Y199 WeakPolarHBondContact O-CA 3.4Å; I189-P200 HydrophobicContact CG2-CG 3.54Å; I189-P200 PolarHBondContact N-O 2.61Å; I189-P200 WeakPolarHBondContact O-CD 3.34Å
190T92.4Very high92.2Very high12 Ų1263.7 Ų63.77%0.07430%0.304CS..  trans-86.9117.3169.4-58.70000110.4H113 I114 Y197 Y199H113-T190 PolarHBondContact CE1-OG1 2.82Å; H113-T190 PolarHBondContact ND1-OG1 3.34Å; I114-T190 PolarHBondContact O-N 3.46Å; T190-Y197 HydrophobicContact CG2-CD1 3.66Å; T190-Y197 HydrophobicContact CG2-CE1 4.22Å; T190-Y199 HydrophobicContact CG2-CD1 4.25Å; T190-Y199 HydrophobicContact CG2-CE1 3.74Å
191I89.5Confident92.3Very high8 Ų858.4 Ų58.44%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-114.2130.5175.7-58.1-178.4000109.4I29 I189 Y197 K198 P200I29-I191 HydrophobicContact CB-CD1 4.11Å; I29-I191 HydrophobicContact CD1-CD1 3.65Å; I29-I191 HydrophobicContact CG1-CD1 4.41Å; I29-I191 HydrophobicContact CG2-CD1 4.18Å; I189-I191 HydrophobicContact CD1-CG1 4.17Å; I189-I191 HydrophobicContact CG2-CD1 4.12Å; I189-I191 HydrophobicContact CG2-CG1 4.06Å; I191-Y197 CarbonylContact O-C 3.58Å; I191-Y197 WeakPolarHBondContact O-CA 3.43Å; I191-K198 PolarHBondContact N-O 3.43Å; I191-K198 PolarHBondContact O-N 3.12Å; I191-P200 HydrophobicContact CD1-CG 3.7Å; I191-P200 HydrophobicContact CG1-CG 4.29Å
192R88.6Confident92.5Very high196 Ų19653.4 Ų53.474%0.7426%0.256SS*.EExtended strand (participates in β ladder)trans-91115.8172.3-177.4179.1175.7175.70.5109.1Y197R192-Y197 HydrophobicContact CB-CD1 4.09Å; R192-Y197 HydrophobicContact CB-CE1 3.81Å; R192-Y197 HydrophobicContact CG-CE1 4.1Å
193C88.4Confident92.6Very high13 Ų1359.8 Ų59.89%0.08828%0.279CS..EExtended strand (participates in β ladder)trans-107.1170.3171.2-55.30000110.1C30 N195 G196 K198C30-C193 WeakPolarHBondContact CA-SG 3.5Å; C30-C193 HydrophobicContact CB-CB 3.7Å; C30-C193 WeakPolarHBondContact CB-SG 3.37Å; C30-C193 VanDerWaalsContact SG-CA 3.5Å; C30-C193 WeakPolarHBondContact SG-CB 3.2Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.79Å; C193-N195 PolarHBondContact O-N 3.2Å; C193-G196 CarbonylContact C-O 3.44Å; C193-G196 WeakPolarHBondContact CA-O 3.39Å; C193-G196 WeakPolarHBondContact CB-O 3.47Å; C193-G196 PolarHBondContact N-O 2.8Å; C193-G196 PolarHBondContact O-N 2.93Å; C193-G196 VanDerWaalsContact O-N 3.16Å; C193-G196 VanDerWaalsContact O-O 3.13Å; C193-K198 HydrophobicContact CB-CG 4.47Å; C193-K198 VanDerWaalsContact SG-CG 3.52Å
194D87.9Confident92.7Very high173 Ų17359.5 Ų59.593%0.92528%0.278SS*.THydrogen-bonded Turntrans-61-35.3177.8-64.2-26.9000112G196D194-G196 VanDerWaalsContact C-N 3.29Å; D194-G196 PolarHBondContact O-N 2.96Å
195N86.4Confident92.8Very high154 Ų15457 Ų5782%0.82427%0.271SS*.THydrogen-bonded Turntrans-90.425.7178.2-63.6-21.2000113.5C193C193-N195 PolarHBondContact O-N 3.2Å
196G89.2Confident92.7Very high32 Ų3257.8 Ų57.833%0.3328%0.278SS..EExtended strand (participates in β ladder)trans100.6-164.3179.600000114.3C193 D194C193-G196 CarbonylContact C-O 3.44Å; C193-G196 WeakPolarHBondContact CA-O 3.39Å; C193-G196 WeakPolarHBondContact CB-O 3.47Å; C193-G196 PolarHBondContact N-O 2.8Å; C193-G196 PolarHBondContact O-N 2.93Å; C193-G196 VanDerWaalsContact O-N 3.16Å; C193-G196 VanDerWaalsContact O-O 3.13Å; D194-G196 VanDerWaalsContact C-N 3.29Å; D194-G196 PolarHBondContact O-N 2.96Å
197Y90Very high92.6Very high129 Ų12960.6 Ų60.651%0.50629%0.289SS..EExtended strand (participates in β ladder)trans-86.5144.4-174.9-67.2-87.1000112.6T190 I191 R192 Y199T190-Y197 HydrophobicContact CG2-CD1 3.66Å; T190-Y197 HydrophobicContact CG2-CE1 4.22Å; I191-Y197 CarbonylContact O-C 3.58Å; I191-Y197 WeakPolarHBondContact O-CA 3.43Å; R192-Y197 HydrophobicContact CB-CD1 4.09Å; R192-Y197 HydrophobicContact CB-CE1 3.81Å; R192-Y197 HydrophobicContact CG-CE1 4.1Å; Y197-Y199 WeakPolarHBondContact CB-OH 3.36Å
198K89.8Confident92.6Very high66 Ų6661.2 Ų61.229%0.28729%0.291SS..EExtended strand (participates in β ladder)trans-122.6148.7172-57.1-61.9179.5-169.70109.5I191 C193I191-K198 PolarHBondContact N-O 3.43Å; I191-K198 PolarHBondContact O-N 3.12Å; C193-K198 HydrophobicContact CB-CG 4.47Å; C193-K198 VanDerWaalsContact SG-CG 3.52Å
199Y91Very high92.7Very high135 Ų13560.9 Ų60.953%0.52929%0.289SS..  trans-128.766.2-177.3-49.3-81.3000110.4I189 T190 Y197 G201I189-Y199 WeakPolarHBondContact O-CA 3.4Å; T190-Y199 HydrophobicContact CG2-CD1 4.25Å; T190-Y199 HydrophobicContact CG2-CE1 3.74Å; Y197-Y199 WeakPolarHBondContact CB-OH 3.36Å; Y199-G201 PolarHBondContact O-N 2.78Å
200P91.6Very high92.8Very high6 Ų665.3 Ų65.34%0.03931%0.308CS..  trans-60.8138.2171.629.4-36.6000109.5I29 R36 S188 I189 I191I29-P200 HydrophobicContact CD1-CB 4.31Å; I29-P200 HydrophobicContact CD1-CG 3.98Å; I29-P200 HydrophobicContact CG2-CB 4.26Å; I29-P200 HydrophobicContact CG2-CG 4.07Å; R36-P200 HydrophobicContact CB-CB 4.22Å; R36-P200 HydrophobicContact CG-CB 4.23Å; S188-P200 WeakPolarHBondContact CA-O 3.22Å; I189-P200 HydrophobicContact CG2-CG 3.54Å; I189-P200 PolarHBondContact N-O 2.61Å; I189-P200 WeakPolarHBondContact O-CD 3.34Å; I191-P200 HydrophobicContact CD1-CG 3.7Å; I191-P200 HydrophobicContact CG1-CG 4.29Å
201G93.2Very high93Very high11 Ų1167.1 Ų67.111%0.11332%0.321CS..EExtended strand (participates in β ladder)trans-155.1159.3-175.600000112.1I187 Y199I187-G201 CarbonylContact O-C 3.44Å; I187-G201 WeakPolarHBondContact O-CA 3.17Å; Y199-G201 PolarHBondContact O-N 2.78Å
202I96.3Very high93.3Very high11 Ų1167.3 Ų67.36%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-114.9111.5-178-56.5167.2000106.9H53 Y56 M58 E186 I187 F217H53-I202 HydrophobicContact CB-CD1 3.6Å; H53-I202 HydrophobicContact CB-CG1 4.01Å; H53-I202 VanDerWaalsContact CE1-CG2 3.46Å; H53-I202 WeakPolarHBondContact CE1-CG2 3.43Å; H53-I202 WeakPolarHBondContact NE2-CG2 3.33Å; Y56-I202 HydrophobicContact CD2-CD1 4.43Å; Y56-I202 HydrophobicContact CG-CD1 4.21Å; M58-I202 HydrophobicContact SD-CG2 4.14Å; E186-I202 VanDerWaalsContact CA-O 3.27Å; E186-I202 WeakPolarHBondContact CA-O 3.36Å; I187-I202 HydrophobicContact CD1-CD1 4.21Å; I187-I202 HydrophobicContact CG1-CB 4.03Å; I187-I202 HydrophobicContact CG1-CD1 4.36Å; I187-I202 PolarHBondContact N-O 2.85Å; I187-I202 VanDerWaalsContact N-O 3.07Å; I187-I202 PolarHBondContact O-N 3.19Å; I202-F217 HydrophobicContact CB-CE1 4.07Å; I202-F217 HydrophobicContact CG2-CD1 4.26Å; I202-F217 HydrophobicContact CG2-CE1 3.64Å
203R96.4Very high93.8Very high162 Ų16258 Ų5861%0.61129%0.29SS*.EExtended strand (participates in β ladder)trans-92135.3178.6-68.7180-172.2139.69.5110.1E186 P205E186-R203 HydrophobicContact CB-CG 4.03Å; E186-R203 HydrophobicContact CG-CG 3.75Å; E186-R203 IonicContact OE1-NE 2.71Å; E186-R203 WeakPolarHBondContact OE2-CG 3.4Å; E186-R203 IonicContact OE2-CZ 3.35Å; E186-R203 IonicContact OE2-NE 2.72Å; E186-R203 PolarHBondContact OE2-NE 2.91Å; E186-R203 IonicContact OE2-NH2 2.77Å; R203-P205 WeakPolarHBondContact O-CD 3.03Å
204V97.9Very high94.3Very high8 Ų858.8 Ų58.85%0.04829%0.293CS..PPolyproline II helixtrans-71.3125.6165.7-175.10000107.6M58 I60 F169 S185 A206 W208 I209 V215 F217M58-V204 HydrophobicContact SD-CG2 4.37Å; I60-V204 HydrophobicContact CD1-CG1 4.24Å; F169-V204 HydrophobicContact CD2-CG2 4.02Å; F169-V204 HydrophobicContact CE2-CG2 4.27Å; S185-V204 PolarHBondContact O-N 2.93Å; V204-A206 PolarHBondContact O-N 2.83Å; V204-W208 HydrophobicContact CG1-CB 4.28Å; V204-I209 HydrophobicContact CB-CD1 4.37Å; V204-I209 HydrophobicContact CB-CG1 4.34Å; V204-I209 HydrophobicContact CG1-CD1 4.41Å; V204-I209 HydrophobicContact CG1-CG1 3.85Å; V204-V215 HydrophobicContact CG1-CG2 3.93Å; V204-V215 HydrophobicContact CG2-CB 4.47Å; V204-V215 HydrophobicContact CG2-CG1 3.91Å; V204-V215 HydrophobicContact CG2-CG2 4.22Å; V204-F217 HydrophobicContact CG2-CE2 4.36Å; V204-F217 HydrophobicContact CG2-CZ 3.73Å
205P97Very high94.8Very high33 Ų3350.5 Ų50.521%0.21425%0.249CC..PPolyproline II helixtrans-62.5129.6175.8-16.127.2000110R203 K207 W208R203-P205 WeakPolarHBondContact O-CD 3.03Å; P205-K207 HydrophobicContact CB-CG 4.37Å; P205-K207 PolarHBondContact O-N 3.49Å; P205-K207 VanDerWaalsContact O-N 3.08Å; P205-W208 WeakPolarHBondContact O-CB 3.15Å; P205-W208 PolarHBondContact O-N 3.34Å
206A96.4Very high95.3Very high21 Ų2145 Ų4517%0.17422%0.218CC..G310 helixtrans-55.5-33.9-170.600000113.8E180 V204 W208 I209E180-A206 HydrophobicContact CB-CB 3.62Å; E180-A206 HydrophobicContact CG-CB 3.88Å; E180-A206 WeakPolarHBondContact O-CB 3.4Å; V204-A206 PolarHBondContact O-N 2.83Å; A206-W208 PolarHBondContact O-N 3.01Å; A206-I209 PolarHBondContact O-N 3.07Å
207K95.5Very high95.7Very high89 Ų8943.4 Ų43.439%0.38720%0.202SC..G310 helixtrans-54.8-21.6174.272.7175.6-172.2171.30115.2E44 P205 K210E44-K207 WeakPolarHBondContact OE1-CE 3.22Å; E44-K207 IonicContact OE1-NZ 3.87Å; E44-K207 PolarHBondContact OE1-NZ 2.99Å; P205-K207 HydrophobicContact CB-CG 4.37Å; P205-K207 PolarHBondContact O-N 3.49Å; P205-K207 VanDerWaalsContact O-N 3.08Å; K207-K210 WeakPolarHBondContact O-CD 3.2Å; K207-K210 WeakPolarHBondContact O-CE 3.32Å; K207-K210 PolarHBondContact O-NZ 3.5Å
208W97.2Very high96Very high12 Ų1238.7 Ų38.75%0.04519%0.185CC..G310 helixtrans-94-12.5177.5-72.4105.7000113.5E44 N45 R49 I60 R62 V204 P205 A206 K210 T213E44-W208 HydrophobicContact CG-CZ2 4.13Å; N45-W208 WeakPolarHBondContact O-CH2 3.26Å; N45-W208 WeakPolarHBondContact O-CZ2 3.43Å; R49-W208 HydrophobicContact CB-CH2 4.11Å; R49-W208 HydrophobicContact CB-CZ2 3.64Å; I60-W208 HydrophobicContact CB-CD2 4.44Å; I60-W208 HydrophobicContact CB-CE3 4.32Å; I60-W208 HydrophobicContact CD1-CB 4.01Å; I60-W208 HydrophobicContact CD1-CD2 4.22Å; I60-W208 HydrophobicContact CD1-CG 3.79Å; I60-W208 HydrophobicContact CG2-CB 4.05Å; I60-W208 HydrophobicContact CG2-CD2 3.74Å; I60-W208 HydrophobicContact CG2-CE3 3.38Å; I60-W208 HydrophobicContact CG2-CG 4.04Å; I60-W208 HydrophobicContact CG2-CZ3 4.02Å; R62-W208 HydrophobicContact CG-CE3 4.02Å; R62-W208 HydrophobicContact CG-CZ3 3.77Å; V204-W208 HydrophobicContact CG1-CB 4.28Å; P205-W208 WeakPolarHBondContact O-CB 3.15Å; P205-W208 PolarHBondContact O-N 3.34Å; A206-W208 PolarHBondContact O-N 3.01Å; W208-K210 VanDerWaalsContact C-N 3.26Å; W208-K210 PolarHBondContact O-N 2.78Å; W208-T213 WeakPolarHBondContact O-CB 3.12Å; W208-T213 VanDerWaalsContact O-CG2 3.28Å; W208-T213 WeakPolarHBondContact O-CG2 3.46Å; W208-T213 PolarHBondContact O-OG1 3.29Å
209I97.6Very high96.2Very high2 Ų238 Ų381%0.0119%0.191CC..  trans-80.579.6178-55.9176.2000107.9M157 Y171 L183 V204 A206M157-I209 HydrophobicContact CE-CG2 3.57Å; Y171-I209 HydrophobicContact CD1-CG2 3.86Å; Y171-I209 HydrophobicContact CD2-CB 4.44Å; Y171-I209 HydrophobicContact CD2-CG2 4.13Å; Y171-I209 HydrophobicContact CE1-CG2 3.85Å; Y171-I209 HydrophobicContact CE2-CB 4.24Å; Y171-I209 HydrophobicContact CE2-CG1 4.03Å; Y171-I209 HydrophobicContact CE2-CG2 4.14Å; Y171-I209 HydrophobicContact CG-CG2 4Å; L183-I209 HydrophobicContact CB-CB 4.28Å; L183-I209 HydrophobicContact CB-CD1 3.9Å; L183-I209 HydrophobicContact CB-CG2 4.14Å; L183-I209 HydrophobicContact CD1-CB 4.01Å; L183-I209 HydrophobicContact CD1-CG2 4.08Å; L183-I209 HydrophobicContact CD2-CG2 3.96Å; L183-I209 HydrophobicContact CG-CG2 4.3Å; V204-I209 HydrophobicContact CB-CD1 4.37Å; V204-I209 HydrophobicContact CB-CG1 4.34Å; V204-I209 HydrophobicContact CG1-CD1 4.41Å; V204-I209 HydrophobicContact CG1-CG1 3.85Å; A206-I209 PolarHBondContact O-N 3.07Å
210K96.4Very high96.2Very high99 Ų9932.6 Ų32.643%0.4317%0.171SC..  trans-135.8153.6-177-68.2178.3176.6166.50110.3K207 W208 G212 T213K207-K210 WeakPolarHBondContact O-CD 3.2Å; K207-K210 WeakPolarHBondContact O-CE 3.32Å; K207-K210 PolarHBondContact O-NZ 3.5Å; W208-K210 VanDerWaalsContact C-N 3.26Å; W208-K210 PolarHBondContact O-N 2.78Å; K210-G212 PolarHBondContact O-N 2.78Å; K210-T213 WeakPolarHBondContact O-CB 3.32Å; K210-T213 PolarHBondContact O-N 2.81Å; K210-T213 VanDerWaalsContact O-N 3.15Å; K210-T213 PolarHBondContact O-OG1 2.84Å
211S96.8Very high96.1Very high50 Ų5033.2 Ų33.235%0.3518%0.179SC..THydrogen-bonded Turntrans-49.6137.1176.8-50.70000112.6Y171 N173 I174 T213Y171-S211 CarbonylContact O-C 3.49Å; Y171-S211 WeakPolarHBondContact O-CA 3.27Å; N173-S211 PolarHBondContact N-OG 3.18Å; I174-S211 PolarHBondContact N-OG 2.86Å; I174-S211 PolarHBondContact O-OG 2.86Å; S211-T213 VanDerWaalsContact C-N 3.33Å
212G96.9Very high95.7Very high12 Ų1236.6 Ų36.612%0.12419%0.192CC..THydrogen-bonded Turntrans73.222.5-178.400000113.7R62 N63 Q64 Y171 K210R62-G212 CarbonylContact C-O 3.58Å; N63-G212 PolarHBondContact N-O 3.28Å; Q64-G212 PolarHBondContact N-O 2.91Å; Q64-G212 WeakPolarHBondContact O-CA 3.35Å; Y171-G212 PolarHBondContact O-N 2.99Å; K210-G212 PolarHBondContact O-N 2.78Å
213T98.1Very high95.3Very high0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-107.3129176.7-49.20000110.9I60 Q61 R62 Y171 W208 K210 S211I60-T213 HydrophobicContact CG2-CG2 3.5Å; Q61-T213 CarbonylContact O-C 3.59Å; Q61-T213 WeakPolarHBondContact O-CA 3.41Å; R62-T213 HydrophobicContact CG-CG2 4.23Å; Y171-T213 HydrophobicContact CD2-CG2 4.46Å; Y171-T213 PolarHBondContact N-O 3.09Å; Y171-T213 VanDerWaalsContact N-O 3.08Å; W208-T213 WeakPolarHBondContact O-CB 3.12Å; W208-T213 VanDerWaalsContact O-CG2 3.28Å; W208-T213 WeakPolarHBondContact O-CG2 3.46Å; W208-T213 PolarHBondContact O-OG1 3.29Å; K210-T213 WeakPolarHBondContact O-CB 3.32Å; K210-T213 PolarHBondContact O-N 2.81Å; K210-T213 VanDerWaalsContact O-N 3.15Å; K210-T213 PolarHBondContact O-OG1 2.84Å; S211-T213 VanDerWaalsContact C-N 3.33Å
214L98.1Very high95.1Very high29 Ų2932.7 Ų32.715%0.15218%0.182CC..EExtended strand (participates in β ladder)trans-105.2132.5172.418066.1000109I60 Q61 Q64 F169 Y170 E216I60-L214 CarbonylContact C-O 3.54Å; I60-L214 WeakPolarHBondContact CA-O 3.34Å; Q61-L214 PolarHBondContact N-O 3.36Å; Q61-L214 PolarHBondContact O-N 3.28Å; Q64-L214 HydrophobicContact CB-CB 3.9Å; Q64-L214 HydrophobicContact CG-CB 3.81Å; F169-L214 CarbonylContact O-C 3.51Å; F169-L214 WeakPolarHBondContact O-CA 3.34Å; Y170-L214 HydrophobicContact CD2-CB 4.39Å; Y170-L214 HydrophobicContact CD2-CD1 4.47Å; L214-E216 HydrophobicContact CD2-CG 4.16Å; L214-E216 HydrophobicContact CG-CG 4.04Å
215V98.4Very high94.7Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-118.4130.7171.5-1760000108.3M58 R59 I60 S168 F169 Y171 V204 F217M58-V215 HydrophobicContact CG-CG1 3.85Å; M58-V215 HydrophobicContact SD-CG1 4.13Å; R59-V215 CarbonylContact O-C 3.58Å; R59-V215 VanDerWaalsContact O-CA 3.29Å; R59-V215 WeakPolarHBondContact O-CA 3.33Å; I60-V215 HydrophobicContact CG1-CG1 4.18Å; I60-V215 HydrophobicContact CG1-CG2 4.16Å; I60-V215 HydrophobicContact CG2-CG2 4.21Å; S168-V215 CarbonylContact C-O 3.58Å; S168-V215 WeakPolarHBondContact CA-O 3.43Å; S168-V215 WeakPolarHBondContact CB-O 3.37Å; F169-V215 HydrophobicContact CB-CB 4.23Å; F169-V215 PolarHBondContact N-O 3.2Å; F169-V215 PolarHBondContact O-N 3.39Å; Y171-V215 HydrophobicContact CE2-CG2 3.73Å; V204-V215 HydrophobicContact CG1-CG2 3.93Å; V204-V215 HydrophobicContact CG2-CB 4.47Å; V204-V215 HydrophobicContact CG2-CG1 3.91Å; V204-V215 HydrophobicContact CG2-CG2 4.22Å; V215-F217 HydrophobicContact CG1-CD2 4.33Å; V215-F217 HydrophobicContact CG1-CE1 4.43Å; V215-F217 HydrophobicContact CG1-CE2 3.65Å; V215-F217 HydrophobicContact CG1-CZ 3.73Å
216E97.7Very high94.3Very high37 Ų3737.9 Ų37.917%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-123.1127.8178.1-57.5-177.6126.500110.1M58 R59 M166 L214M58-E216 WeakPolarHBondContact CA-O 3.49Å; R59-E216 HydrophobicContact CB-CB 4.46Å; R59-E216 PolarHBondContact N-O 3.08Å; R59-E216 IonicContact NH1-OE2 2.95Å; R59-E216 PolarHBondContact NH1-OE2 3.2Å; R59-E216 PolarHBondContact O-N 2.86Å; M166-E216 HydrophobicContact SD-CB 4.35Å; L214-E216 HydrophobicContact CD2-CG 4.16Å; L214-E216 HydrophobicContact CG-CG 4.04Å
217F97.9Very high94.1Very high0 Ų040.4 Ų40.40%021%0.214CC..EExtended strand (participates in β ladder)trans-107.2116.2172.2-59.1-84.7000109.6Y56 S57 M58 M166 V167 F169 I187 I202 V204 V215Y56-F217 HydrophobicContact CD1-CB 3.9Å; Y56-F217 HydrophobicContact CE1-CB 4.37Å; S57-F217 WeakPolarHBondContact O-CA 3.36Å; M58-F217 HydrophobicContact CB-CD1 4.07Å; M58-F217 HydrophobicContact CB-CE1 4.05Å; M58-F217 HydrophobicContact CG-CD1 4.09Å; M58-F217 HydrophobicContact CG-CE1 3.7Å; M58-F217 HydrophobicContact CG-CZ 4.28Å; M58-F217 HydrophobicContact SD-CE1 3.6Å; M58-F217 VanDerWaalsContact SD-CE1 3.6Å; M58-F217 HydrophobicContact SD-CZ 3.97Å; M166-F217 WeakPolarHBondContact CA-O 3.17Å; M166-F217 WeakPolarHBondContact CG-O 3.45Å; V167-F217 HydrophobicContact CB-CB 4.43Å; V167-F217 HydrophobicContact CB-CD2 4.42Å; V167-F217 PolarHBondContact N-O 3.24Å; V167-F217 VanDerWaalsContact N-O 3.1Å; V167-F217 WeakPolarHBondContact O-CD2 3.43Å; V167-F217 PolarHBondContact O-N 2.83Å; F169-F217 AromaticContact CD2-CE2 3.65Å; F169-F217 HydrophobicContact CD2-CE2 3.65Å; F169-F217 HydrophobicContact CD2-CZ 4.34Å; F169-F217 HydrophobicContact CE2-CD2 4.4Å; F169-F217 AromaticContact CE2-CE2 3.41Å; F169-F217 HydrophobicContact CE2-CE2 3.41Å; F169-F217 VanDerWaalsContact CE2-CE2 3.41Å; F169-F217 AromaticContact CE2-CZ 3.99Å; F169-F217 HydrophobicContact CE2-CZ 3.99Å; F169-F217 HydrophobicContact CG-CE2 4.39Å; F169-F217 AromaticContact CZ-CE2 3.98Å; F169-F217 HydrophobicContact CZ-CE2 3.98Å; I187-F217 HydrophobicContact CD1-CB 3.61Å; I187-F217 HydrophobicContact CD1-CD1 3.52Å; I187-F217 HydrophobicContact CD1-CD2 4.25Å; I187-F217 HydrophobicContact CD1-CE1 4.23Å; I187-F217 HydrophobicContact CD1-CG 3.52Å; I187-F217 HydrophobicContact CG1-CD1 3.82Å; I187-F217 HydrophobicContact CG1-CD2 4.46Å; I187-F217 HydrophobicContact CG1-CE1 4Å; I187-F217 HydrophobicContact CG1-CG 4.05Å; I187-F217 HydrophobicContact CG1-CZ 4.39Å; I187-F217 HydrophobicContact CG2-CD2 3.98Å; I187-F217 HydrophobicContact CG2-CE2 4.09Å; I187-F217 HydrophobicContact CG2-CG 4.34Å; I202-F217 HydrophobicContact CB-CE1 4.07Å; I202-F217 HydrophobicContact CG2-CD1 4.26Å; I202-F217 HydrophobicContact CG2-CE1 3.64Å; V204-F217 HydrophobicContact CG2-CE2 4.36Å; V204-F217 HydrophobicContact CG2-CZ 3.73Å; V215-F217 HydrophobicContact CG1-CD2 4.33Å; V215-F217 HydrophobicContact CG1-CE1 4.43Å; V215-F217 HydrophobicContact CG1-CE2 3.65Å; V215-F217 HydrophobicContact CG1-CZ 3.73Å
218E95.5Very high93.9Very high30 Ų3042.2 Ų42.214%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-115.7132.2178.7-167.9179.9-178.500110.5Y56 S57 I220 K264Y56-E218 CarbonylContact C-O 3.54Å; Y56-E218 WeakPolarHBondContact CA-O 3.42Å; Y56-E218 WeakPolarHBondContact CD1-O 3.42Å; S57-E218 PolarHBondContact N-O 2.88Å; S57-E218 PolarHBondContact O-N 2.86Å; S57-E218 VanDerWaalsContact O-N 3.09Å; S57-E218 PolarHBondContact OG-O 3.18Å; E218-I220 PolarHBondContact O-N 2.9Å; E218-K264 VanDerWaalsContact CD-CE 3.43Å; E218-K264 WeakPolarHBondContact OE1-CE 3.24Å; E218-K264 IonicContact OE1-NZ 3.74Å; E218-K264 PolarHBondContact OE1-NZ 2.99Å; E218-K264 WeakPolarHBondContact OE2-CE 3.47Å; E218-K264 IonicContact OE2-NZ 3.82Å; E218-K264 PolarHBondContact OE2-NZ 2.8Å
219A93.5Very high93.8Very high51 Ų5149.5 Ų49.542%0.42126%0.256SS..EExtended strand (participates in β ladder)trans-67.2134.7179.300000110.6Y56Y56-A219 HydrophobicContact CD1-CB 4.4Å; Y56-A219 HydrophobicContact CE1-CB 4.01Å
220I91.5Very high93.6Very high21 Ų2150.9 Ų50.911%0.10827%0.265CS..PPolyproline II helixtrans-83.7123.7173.8-63.6172.8000108.3L52 N55 Y56 E218 S225L52-I220 HydrophobicContact CD2-CD1 4.25Å; N55-I220 PolarHBondContact O-N 3.43Å; Y56-I220 VanDerWaalsContact C-CD1 3.46Å; Y56-I220 WeakPolarHBondContact O-CD1 3.01Å; E218-I220 PolarHBondContact O-N 2.9Å; I220-S225 VanDerWaalsContact CG2-OG 3.24Å; I220-S225 WeakPolarHBondContact CG2-OG 3.5Å
221G89.1Confident93.4Very high19 Ų1951.5 Ų51.520%0.19627%0.27CS..PPolyproline II helixtrans-62.8137.1178.300000112.9S225 E254G221-S225 WeakPolarHBondContact O-CB 3.37Å; G221-S225 PolarHBondContact O-OG 2.94Å; G221-E254 WeakPolarHBondContact CA-OE2 3.33Å
222E85.7Confident93.3Very high82 Ų8251 Ų5138%0.38327%0.265SS..Hα-helixtrans-75.1-27.1-174.7-62.7-176.1153.900112.6N25N25-E222 PolarHBondContact ND2-OE1 2.71Å
223I88.5Confident93.2Very high91 Ų9150.4 Ų50.447%0.46726%0.259SS..Hα-helixtrans-73-50.1-171.7-55.4173.8000110.8S225 Q226 M241I223-S225 VanDerWaalsContact C-N 3.31Å; I223-Q226 VanDerWaalsContact O-CD 3.28Å; I223-Q226 WeakPolarHBondContact O-CG 3.5Å; I223-Q226 PolarHBondContact O-NE2 3.02Å; I223-Q226 VanDerWaalsContact O-NE2 3.15Å; I223-M241 HydrophobicContact CB-CE 4.32Å; I223-M241 HydrophobicContact CB-SD 3.51Å; I223-M241 VanDerWaalsContact CB-SD 3.51Å; I223-M241 HydrophobicContact CD1-SD 3.9Å; I223-M241 HydrophobicContact CG1-SD 4.29Å; I223-M241 HydrophobicContact CG2-CE 3.55Å; I223-M241 HydrophobicContact CG2-SD 3.42Å; I223-M241 WeakPolarHBondContact CG2-SD 3.35Å
224C92.1Very high92.9Very high0 Ų056.7 Ų56.70%029%0.288CS..Hα-helixtrans-66.9-36.2176-61.70000111.2Q226 Y227 C243 C252 E254C224-Q226 PolarHBondContact O-N 3.06Å; C224-Y227 WeakPolarHBondContact O-CD2 3.1Å; C224-Y227 PolarHBondContact O-N 3.49Å; C224-C243 HydrophobicContact CB-CB 3.81Å; C224-C243 WeakPolarHBondContact CB-SG 3.22Å; C224-C243 WeakPolarHBondContact SG-CA 3.43Å; C224-C243 WeakPolarHBondContact SG-CB 3.22Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.93Å; C224-C252 WeakPolarHBondContact O-CB 2.84Å; C224-C252 PolarHBondContact O-SG 3.38Å; C224-E254 HydrophobicContact CB-CB 4.02Å; C224-E254 VanDerWaalsContact SG-CA 3.58Å
225S89.4Confident92.7Very high52 Ų5264.3 Ų64.336%0.36432%0.315SS..Hα-helixtrans-60.7-18.3-177.1-63.20000114.8I220 G221 I223 Y227 C252I220-S225 VanDerWaalsContact CG2-OG 3.24Å; I220-S225 WeakPolarHBondContact CG2-OG 3.5Å; G221-S225 WeakPolarHBondContact O-CB 3.37Å; G221-S225 PolarHBondContact O-OG 2.94Å; I223-S225 VanDerWaalsContact C-N 3.31Å; S225-Y227 VanDerWaalsContact C-N 3.26Å; S225-Y227 PolarHBondContact O-N 3.31Å; S225-C252 WeakPolarHBondContact CA-O 3.42Å
226Q88.7Confident92.4Very high98 Ų9864.7 Ų64.746%0.45832%0.318SS..THydrogen-bonded Turntrans-70.9-19.7176.781.6-165.8-26.500113.5I223 C224I223-Q226 VanDerWaalsContact O-CD 3.28Å; I223-Q226 WeakPolarHBondContact O-CG 3.5Å; I223-Q226 PolarHBondContact O-NE2 3.02Å; I223-Q226 VanDerWaalsContact O-NE2 3.15Å; C224-Q226 PolarHBondContact O-N 3.06Å
227Y91.8Very high92.1Very high75 Ų7565.9 Ų65.929%0.29433%0.328SS..  trans-88.9118.6-179.1-59.3-79.3000110.4C224 S225 A236 C252C224-Y227 WeakPolarHBondContact O-CD2 3.1Å; C224-Y227 PolarHBondContact O-N 3.49Å; S225-Y227 VanDerWaalsContact C-N 3.26Å; S225-Y227 PolarHBondContact O-N 3.31Å; Y227-A236 HydrophobicContact CD1-CB 4.44Å; Y227-A236 HydrophobicContact CD2-CB 3.51Å; Y227-A236 HydrophobicContact CE1-CB 4.12Å; Y227-A236 HydrophobicContact CE2-CB 3.13Å; Y227-A236 HydrophobicContact CG-CB 4.17Å; Y227-A236 VanDerWaalsContact CZ-CB 3.45Å; Y227-C252 VanDerWaalsContact O-CB 3.27Å; Y227-C252 WeakPolarHBondContact O-CB 3.35Å
228N91.9Very high91.8Very high126 Ų12669.3 Ų69.367%0.67435%0.349SS*.  trans-101.510.6-174.366.9-1.7000114.4W245N228-W245 VanDerWaalsContact C-CH2 3.49Å; N228-W245 WeakPolarHBondContact O-CH2 3.32Å
229R93.3Very high91.4Very high165 Ų16576.8 Ų76.862%0.62339%0.389SS*.SBendtrans-136.6144.6176.1-63.7-179.6-179.4-179.7-1.3110.9E231 T232 C233R229-E231 PolarHBondContact O-N 2.76Å; R229-T232 PolarHBondContact O-N 3.05Å; R229-T232 PolarHBondContact O-OG1 2.86Å; R229-C233 WeakPolarHBondContact O-CB 3.42Å; R229-C233 PolarHBondContact O-N 2.88Å
230S93.6Very high91.2Very high31 Ų3180.3 Ų80.322%0.21741%0.405CS..Hα-helixtrans-55.2-46.1-178.361.10000112.6T232 C233 Q234S230-T232 VanDerWaalsContact C-N 3.32Å; S230-T232 PolarHBondContact O-N 2.9Å; S230-C233 WeakPolarHBondContact O-CB 3.47Å; S230-C233 PolarHBondContact O-N 3.1Å; S230-Q234 WeakPolarHBondContact O-CG 2.97Å; S230-Q234 PolarHBondContact O-N 2.66Å
231E93.3Very high91.1Very high112 Ų11280.1 Ų80.152%0.52340%0.404SS..Hα-helixtrans-71.3-29.9-176.2-49.982.4-177.700112.2R229 R235R229-E231 PolarHBondContact O-N 2.76Å; E231-R235 WeakPolarHBondContact O-CG 3Å; E231-R235 PolarHBondContact O-NE 2.9Å
232T94.9Very high91.4Very high40 Ų4080.8 Ų80.825%0.24540%0.404CS..Hα-helixtrans-77.3-36.417455.20000111.8R229 S230 R235 A236R229-T232 PolarHBondContact O-N 3.05Å; R229-T232 PolarHBondContact O-OG1 2.86Å; S230-T232 VanDerWaalsContact C-N 3.32Å; S230-T232 PolarHBondContact O-N 2.9Å; T232-R235 PolarHBondContact O-N 3.49Å; T232-A236 PolarHBondContact O-N 3.12Å
233C95.1Very high91.8Very high0 Ų077.2 Ų77.20%039%0.388CS..Hα-helixtrans-62.4-49.6177.41770000111.7R229 S230 R235 A236 C243 F244 W245 C252R229-C233 WeakPolarHBondContact O-CB 3.42Å; R229-C233 PolarHBondContact O-N 2.88Å; S230-C233 WeakPolarHBondContact O-CB 3.47Å; S230-C233 PolarHBondContact O-N 3.1Å; C233-R235 VanDerWaalsContact C-N 3.29Å; C233-R235 PolarHBondContact O-N 3.19Å; C233-A236 VanDerWaalsContact O-CB 3.29Å; C233-A236 WeakPolarHBondContact O-CB 3.49Å; C233-A236 PolarHBondContact O-N 3.35Å; C233-C243 WeakPolarHBondContact O-CB 3.47Å; C233-F244 PolarHBondContact SG-O 2.88Å; C233-W245 HydrophobicContact CB-CB 4.4Å; C233-W245 HydrophobicContact CB-CE3 3.82Å; C233-C252 WeakPolarHBondContact CA-SG 3.27Å; C233-C252 HydrophobicContact CB-CB 3.59Å; C233-C252 WeakPolarHBondContact CB-SG 3.45Å; C233-C252 VanDerWaalsContact SG-CA 3.52Å; C233-C252 WeakPolarHBondContact SG-CB 3.49Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.3Å
234Q91.4Very high92Very high131 Ų13173.8 Ų73.861%0.61237%0.37SS*.Hα-helixtrans-62.2-37.6179.8-70.3175-5.900112.2S230 A236S230-Q234 WeakPolarHBondContact O-CG 2.97Å; S230-Q234 PolarHBondContact O-N 2.66Å; Q234-A236 PolarHBondContact O-N 3.01Å
235R93.2Very high92.2Very high190 Ų19075.9 Ų75.972%0.71738%0.378SS*.Hα-helixtrans-73.6-12.1176.9-73.1-173.7-66.5165.8-1.3114.2E231 T232 C233 T237E231-R235 WeakPolarHBondContact O-CG 3Å; E231-R235 PolarHBondContact O-NE 2.9Å; T232-R235 PolarHBondContact O-N 3.49Å; C233-R235 VanDerWaalsContact C-N 3.29Å; C233-R235 PolarHBondContact O-N 3.19Å; R235-T237 VanDerWaalsContact C-N 3.3Å
236A92.4Very high92.4Very high8 Ų873.4 Ų73.47%0.06636%0.361CS..THydrogen-bonded Turntrans-79.5-13.7178.700000113.4Y227 T232 C233 Q234 T238 M241 C243Y227-A236 HydrophobicContact CD1-CB 4.44Å; Y227-A236 HydrophobicContact CD2-CB 3.51Å; Y227-A236 HydrophobicContact CE1-CB 4.12Å; Y227-A236 HydrophobicContact CE2-CB 3.13Å; Y227-A236 HydrophobicContact CG-CB 4.17Å; Y227-A236 VanDerWaalsContact CZ-CB 3.45Å; T232-A236 PolarHBondContact O-N 3.12Å; C233-A236 VanDerWaalsContact O-CB 3.29Å; C233-A236 WeakPolarHBondContact O-CB 3.49Å; C233-A236 PolarHBondContact O-N 3.35Å; Q234-A236 PolarHBondContact O-N 3.01Å; A236-T238 WeakPolarHBondContact O-CG2 3.29Å; A236-T238 PolarHBondContact O-N 3.35Å; A236-M241 WeakPolarHBondContact O-CE 3.26Å; A236-C243 HydrophobicContact CB-CB 4.34Å
237T92.2Very high92.5Very high61 Ų6174.7 Ų74.737%0.37437%0.367SS..  trans-59134.3176.8-680000111.2R235 M241 T242 C243R235-T237 VanDerWaalsContact C-N 3.3Å; T237-M241 WeakPolarHBondContact CA-O 3.04Å; T237-T242 HydrophobicContact CG2-CG2 4.42Å; T237-C243 PolarHBondContact OG1-N 2.97Å; T237-C243 PolarHBondContact OG1-O 3.17Å; T237-C243 VanDerWaalsContact OG1-O 3.12Å
238T90.7Very high92.5Very high72 Ų7276.8 Ų76.844%0.44238%0.377SS..  trans-126.5179.5178.268.60000110.2A236 T240 M241A236-T238 WeakPolarHBondContact O-CG2 3.29Å; A236-T238 PolarHBondContact O-N 3.35Å; T238-T240 PolarHBondContact O-N 3.09Å; T238-T240 PolarHBondContact OG1-N 2.85Å; T238-M241 HydrophobicContact CG2-CE 4.36Å; T238-M241 PolarHBondContact N-O 2.83Å; T238-M241 PolarHBondContact O-N 2.89Å; T238-M241 VanDerWaalsContact O-O 3.07Å; T238-M241 PolarHBondContact OG1-N 2.8Å
239L87.2Confident92.4Very high188 Ų18871 Ų7198%0.98435%0.348SS*.SBendtrans-63.1-24.9177.4-68174.3000114
240T88.2Confident92.3Very high125 Ų12565.3 Ų65.377%0.76734%0.341SS*.SBendtrans-111.8-5.7-175.856.40000113.2T238T238-T240 PolarHBondContact O-N 3.09Å; T238-T240 PolarHBondContact OG1-N 2.85Å
241M91.4Very high92.2Very high17 Ų1766.2 Ų66.28%0.08434%0.341CS..  trans-146.5124.7-173.3179.7-171.564.500110.2I223 A236 T237 T238 E254 N256I223-M241 HydrophobicContact CB-CE 4.32Å; I223-M241 HydrophobicContact CB-SD 3.51Å; I223-M241 VanDerWaalsContact CB-SD 3.51Å; I223-M241 HydrophobicContact CD1-SD 3.9Å; I223-M241 HydrophobicContact CG1-SD 4.29Å; I223-M241 HydrophobicContact CG2-CE 3.55Å; I223-M241 HydrophobicContact CG2-SD 3.42Å; I223-M241 WeakPolarHBondContact CG2-SD 3.35Å; A236-M241 WeakPolarHBondContact O-CE 3.26Å; T237-M241 WeakPolarHBondContact CA-O 3.04Å; T238-M241 HydrophobicContact CG2-CE 4.36Å; T238-M241 PolarHBondContact N-O 2.83Å; T238-M241 PolarHBondContact O-N 2.89Å; T238-M241 VanDerWaalsContact O-O 3.07Å; T238-M241 PolarHBondContact OG1-N 2.8Å; M241-E254 HydrophobicContact CG-CG 3.9Å; M241-N256 VanDerWaalsContact CA-OD1 3.22Å; M241-N256 WeakPolarHBondContact CA-OD1 3.29Å
242T93.4Very high92.2Very high32 Ų3261 Ų6120%0.19632%0.316CS..  trans-107.6123.1179.1-55.30000109.5T237 E254 S255 N256T237-T242 HydrophobicContact CG2-CG2 4.42Å; T242-E254 CarbonylContact O-C 3.54Å; T242-E254 WeakPolarHBondContact O-CA 3.19Å; T242-S255 WeakPolarHBondContact CB-O 3.17Å; T242-S255 PolarHBondContact O-N 2.94Å; T242-N256 PolarHBondContact N-OD1 2.9Å
243C94.5Very high92.2Very high7 Ų759.4 Ų59.45%0.04731%0.306CS..EExtended strand (participates in β ladder)trans-109.1138175.2-58.40000109.9C224 C233 A236 T237 I253C224-C243 HydrophobicContact CB-CB 3.81Å; C224-C243 WeakPolarHBondContact CB-SG 3.22Å; C224-C243 WeakPolarHBondContact SG-CA 3.43Å; C224-C243 WeakPolarHBondContact SG-CB 3.22Å; C224-C243 CovalentContact SG-SG 2.03Å; C224-C243 PolarHBondContact SG-SG 2.93Å; C233-C243 WeakPolarHBondContact O-CB 3.47Å; A236-C243 HydrophobicContact CB-CB 4.34Å; T237-C243 PolarHBondContact OG1-N 2.97Å; T237-C243 PolarHBondContact OG1-O 3.17Å; T237-C243 VanDerWaalsContact OG1-O 3.12Å; C243-I253 WeakPolarHBondContact CA-O 3.4Å
244F94Very high92.1Very high19 Ų1961.4 Ų61.48%0.08332%0.315CS..EExtended strand (participates in β ladder)trans-135.9154.6170.579-82.4000110.9C233 I253 K264 V265 C268C233-F244 PolarHBondContact SG-O 2.88Å; F244-I253 HydrophobicContact CD1-CB 4.27Å; F244-I253 WeakPolarHBondContact CD1-O 3.29Å; F244-I253 HydrophobicContact CE1-CB 3.67Å; F244-I253 HydrophobicContact CE1-CG2 3.71Å; F244-I253 HydrophobicContact CZ-CB 3.84Å; F244-I253 HydrophobicContact CZ-CD1 4.11Å; F244-I253 HydrophobicContact CZ-CG2 4.03Å; F244-I253 PolarHBondContact N-O 2.82Å; F244-I253 PolarHBondContact O-N 2.71Å; F244-K264 HydrophobicContact CE1-CB 3.93Å; F244-K264 HydrophobicContact CZ-CB 3.82Å; F244-K264 WeakPolarHBondContact CZ-O 3.25Å; F244-V265 HydrophobicContact CB-CG2 4.37Å; F244-V265 HydrophobicContact CD1-CG2 4.3Å; F244-V265 HydrophobicContact CD2-CG2 3.95Å; F244-V265 HydrophobicContact CE2-CG2 4.32Å; F244-V265 HydrophobicContact CG-CG2 3.93Å; F244-C268 HydrophobicContact CE2-CB 3.71Å; F244-C268 HydrophobicContact CZ-CB 4.45Å
245W94.6Very high92.1Very high45 Ų4555.1 Ų55.117%0.1729%0.286CS..EExtended strand (participates in β ladder)trans-93.4129.4-177.2-176.4-104.1000111.1N228 C233 E247 G250 C252N228-W245 VanDerWaalsContact C-CH2 3.49Å; N228-W245 WeakPolarHBondContact O-CH2 3.32Å; C233-W245 HydrophobicContact CB-CB 4.4Å; C233-W245 HydrophobicContact CB-CE3 3.82Å; W245-E247 PolarHBondContact NE1-OE2 2.91Å; W245-G250 WeakPolarHBondContact CH2-O 3.22Å; W245-C252 HydrophobicContact CE3-CB 3.95Å; W245-C252 HydrophobicContact CZ3-CB 4.16Å
246C94.2Very high91.7Very high0 Ų049.2 Ų49.20%027%0.269CS..EExtended strand (participates in β ladder)trans-100.7102.5174.3-169.20000109.6L52 G249 G250 K251 I253 C268L52-C246 HydrophobicContact CD1-CB 4.49Å; C246-G249 CarbonylContact O-C 3.6Å; C246-G249 PolarHBondContact O-N 2.92Å; C246-G250 PolarHBondContact O-N 2.78Å; C246-K251 WeakPolarHBondContact CB-O 3.34Å; C246-K251 PolarHBondContact N-O 2.86Å; C246-K251 PolarHBondContact O-N 2.68Å; C246-I253 HydrophobicContact CB-CD1 3.75Å; C246-I253 HydrophobicContact CB-CG1 4.34Å; C246-C268 HydrophobicContact CB-CB 3.68Å; C246-C268 WeakPolarHBondContact CB-SG 3.49Å; C246-C268 WeakPolarHBondContact SG-CB 3.43Å; C246-C268 CovalentContact SG-SG 2.04Å; C246-C268 PolarHBondContact SG-SG 3.26Å
247E92Very high91.4Very high124 Ų12451.9 Ų51.958%0.57928%0.282SS*.THydrogen-bonded Turntrans-61.1-53.6-169.7-168.564.1-160.700112.1W245 G249 G250W245-E247 PolarHBondContact NE1-OE2 2.91Å; E247-G249 PolarHBondContact O-N 2.04Å; E247-G250 PolarHBondContact O-N 3.31Å; E247-G250 VanDerWaalsContact O-N 3.08Å
248K90.1Very high91Very high119 Ų11955.3 Ų55.352%0.51729%0.294SS..THydrogen-bonded Turntrans-66.5-27.3178.9-176.8167.9174.6-177.40112.8V41 I42V41-K248 VanDerWaalsContact O-CE 3.26Å; V41-K248 WeakPolarHBondContact O-CE 3.2Å; I42-K248 HydrophobicContact CD1-CB 4.33Å; I42-K248 HydrophobicContact CD1-CG 4.29Å; I42-K248 HydrophobicContact CG2-CB 4.29Å; I42-K248 HydrophobicContact CG2-CD 4.34Å; I42-K248 WeakPolarHBondContact O-CD 3.32Å; I42-K248 WeakPolarHBondContact O-CE 3.48Å; I42-K248 PolarHBondContact O-NZ 2.86Å
249G90Very high90.8Very high6 Ų659 Ų596%0.06231%0.311CS..THydrogen-bonded Turntrans-79-20.7174.900000113.6I40 I42 C246 E247 K251I40-G249 WeakPolarHBondContact CD1-O 3.35Å; I42-G249 VanDerWaalsContact CD1-CA 3.49Å; C246-G249 CarbonylContact O-C 3.6Å; C246-G249 PolarHBondContact O-N 2.92Å; E247-G249 PolarHBondContact O-N 2.04Å; G249-K251 PolarHBondContact O-N 2.85Å
250G91.3Very high90.7Very high45 Ų4551.5 Ų51.546%0.46427%0.273SS..THydrogen-bonded Turntrans57.129.4-170.400000113.2W245 C246 E247W245-G250 WeakPolarHBondContact CH2-O 3.22Å; C246-G250 PolarHBondContact O-N 2.78Å; E247-G250 PolarHBondContact O-N 3.31Å; E247-G250 VanDerWaalsContact O-N 3.08Å
251K91.6Very high90.8Very high50 Ų5047.8 Ų47.822%0.21725%0.247CC..EExtended strand (participates in β ladder)trans-134145.3-171.9-75.1-176.4-174.2179.50111.9H38 H53 C246 G249H38-K251 PolarHBondContact NE2-NZ 3.26Å; H53-K251 PolarHBondContact O-NZ 3.27Å; C246-K251 WeakPolarHBondContact CB-O 3.34Å; C246-K251 PolarHBondContact N-O 2.86Å; C246-K251 PolarHBondContact O-N 2.68Å; G249-K251 PolarHBondContact O-N 2.85Å
252C94Very high90.7Very high1 Ų151.4 Ų51.41%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-89125.6168.5-1730000109.9C224 S225 Y227 C233 W245C224-C252 WeakPolarHBondContact O-CB 2.84Å; C224-C252 PolarHBondContact O-SG 3.38Å; S225-C252 WeakPolarHBondContact CA-O 3.42Å; Y227-C252 VanDerWaalsContact O-CB 3.27Å; Y227-C252 WeakPolarHBondContact O-CB 3.35Å; C233-C252 WeakPolarHBondContact CA-SG 3.27Å; C233-C252 HydrophobicContact CB-CB 3.59Å; C233-C252 WeakPolarHBondContact CB-SG 3.45Å; C233-C252 VanDerWaalsContact SG-CA 3.52Å; C233-C252 WeakPolarHBondContact SG-CB 3.49Å; C233-C252 CovalentContact SG-SG 2.02Å; C233-C252 PolarHBondContact SG-SG 3.3Å; W245-C252 HydrophobicContact CE3-CB 3.95Å; W245-C252 HydrophobicContact CZ3-CB 4.16Å
253I93.9Very high90.5Very high8 Ų853 Ų534%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-116.5139.4-172.9-59.5176.7000109.9L52 C243 F244 C246L52-I253 HydrophobicContact CD1-CD1 3.86Å; L52-I253 HydrophobicContact CD2-CD1 3.74Å; L52-I253 HydrophobicContact CG-CD1 4.47Å; C243-I253 WeakPolarHBondContact CA-O 3.4Å; F244-I253 HydrophobicContact CD1-CB 4.27Å; F244-I253 WeakPolarHBondContact CD1-O 3.29Å; F244-I253 HydrophobicContact CE1-CB 3.67Å; F244-I253 HydrophobicContact CE1-CG2 3.71Å; F244-I253 HydrophobicContact CZ-CB 3.84Å; F244-I253 HydrophobicContact CZ-CD1 4.11Å; F244-I253 HydrophobicContact CZ-CG2 4.03Å; F244-I253 PolarHBondContact N-O 2.82Å; F244-I253 PolarHBondContact O-N 2.71Å; C246-I253 HydrophobicContact CB-CD1 3.75Å; C246-I253 HydrophobicContact CB-CG1 4.34Å
254E93.2Very high90.3Very high41 Ų4153 Ų5319%0.19228%0.276CS..EExtended strand (participates in β ladder)trans-82.1134173.4-167.1172.5135.600111.4G221 C224 M241 T242 N256G221-E254 WeakPolarHBondContact CA-OE2 3.33Å; C224-E254 HydrophobicContact CB-CB 4.02Å; C224-E254 VanDerWaalsContact SG-CA 3.58Å; M241-E254 HydrophobicContact CG-CG 3.9Å; T242-E254 CarbonylContact O-C 3.54Å; T242-E254 WeakPolarHBondContact O-CA 3.19Å; E254-N256 WeakPolarHBondContact CG-OD1 3.44Å; E254-N256 PolarHBondContact OE1-ND2 2.87Å
255S91.4Very high90.2Very high0 Ų054.1 Ų54.10%028%0.284CS..  trans-145.260.3-168.9-163.60000111.6T242 H261 K264T242-S255 WeakPolarHBondContact CB-O 3.17Å; T242-S255 PolarHBondContact O-N 2.94Å; S255-H261 WeakPolarHBondContact CB-ND1 3.42Å; S255-H261 PolarHBondContact O-ND1 2.86Å; S255-H261 WeakPolarHBondContact OG-CA 3.29Å; S255-H261 PolarHBondContact OG-ND1 3Å; S255-K264 WeakPolarHBondContact OG-CD 3.2Å
256N86.4Confident89.9Confident65 Ų6556.8 Ų56.835%0.34830%0.301SS..  trans-79.9-24.7-172.3-55.2-21000113.7M241 T242 E254 Q258M241-N256 VanDerWaalsContact CA-OD1 3.22Å; M241-N256 WeakPolarHBondContact CA-OD1 3.29Å; T242-N256 PolarHBondContact N-OD1 2.9Å; E254-N256 WeakPolarHBondContact CG-OD1 3.44Å; E254-N256 PolarHBondContact OE1-ND2 2.87Å; N256-Q258 PolarHBondContact O-N 3.21Å
257D85.3Confident89.7Confident64 Ų6457.3 Ų57.334%0.34230%0.304SS..  trans-78.4109.8176.4-178.7-5.2000109.8N259 T260 H261D257-N259 PolarHBondContact O-N 2.9Å; D257-N259 WeakPolarHBondContact OD1-CB 3.39Å; D257-N259 PolarHBondContact OD1-N 2.84Å; D257-N259 PolarHBondContact OD1-ND2 2.85Å; D257-T260 WeakPolarHBondContact CB-OG1 3.46Å; D257-T260 PolarHBondContact O-N 3.32Å; D257-T260 VanDerWaalsContact O-N 3.12Å; D257-T260 PolarHBondContact O-OG1 3.42Å; D257-H261 WeakPolarHBondContact O-CB 3.38Å; D257-H261 PolarHBondContact O-N 2.89Å
258Q84Confident89.6Confident133 Ų13351.6 Ų51.662%0.62128%0.278SS*.Hα-helixtrans-58.9-29.8-179.5-62.8-61.8-46.900112.7N256 T260N256-Q258 PolarHBondContact O-N 3.21Å; Q258-T260 VanDerWaalsContact C-N 3.34Å
259N85.3Confident89.4Confident150 Ų15049.1 Ų49.180%0.80228%0.276SS*.Hα-helixtrans-72.7-29.4-179.6-59.5-45.7000112.2D257D257-N259 PolarHBondContact O-N 2.9Å; D257-N259 WeakPolarHBondContact OD1-CB 3.39Å; D257-N259 PolarHBondContact OD1-N 2.84Å; D257-N259 PolarHBondContact OD1-ND2 2.85Å
260T86.3Confident88.3Confident31 Ų3153.5 Ų53.519%0.1930%0.301CS..Hα-helixtrans-103.2-8-179.764.60000112.7D257 Q258 V262 L263 K264D257-T260 WeakPolarHBondContact CB-OG1 3.46Å; D257-T260 PolarHBondContact O-N 3.32Å; D257-T260 VanDerWaalsContact O-N 3.12Å; D257-T260 PolarHBondContact O-OG1 3.42Å; Q258-T260 VanDerWaalsContact C-N 3.34Å; T260-V262 PolarHBondContact O-N 2.9Å; T260-L263 PolarHBondContact O-N 2.83Å; T260-K264 WeakPolarHBondContact O-CG 3.39Å; T260-K264 PolarHBondContact O-N 2.85Å
261H89Confident86.8Confident47 Ų4759.5 Ų59.522%0.21832%0.317CS..Hα-helixtrans-56.4-54.1-175.4179.879.4000112.9S255 D257 L263 K264 V265S255-H261 WeakPolarHBondContact CB-ND1 3.42Å; S255-H261 PolarHBondContact O-ND1 2.86Å; S255-H261 WeakPolarHBondContact OG-CA 3.29Å; S255-H261 PolarHBondContact OG-ND1 3Å; D257-H261 WeakPolarHBondContact O-CB 3.38Å; D257-H261 PolarHBondContact O-N 2.89Å; H261-L263 VanDerWaalsContact C-N 3.31Å; H261-L263 PolarHBondContact O-N 2.94Å; H261-K264 PolarHBondContact O-N 2.89Å; H261-V265 WeakPolarHBondContact O-CG2 3.47Å; H261-V265 PolarHBondContact O-N 2.8Å
262V89.9Confident84.5Confident92 Ų9266.1 Ų66.156%0.55835%0.345SS*.Hα-helixtrans-61-42.3-179.5177.40000111T260 K264 V265 N266T260-V262 PolarHBondContact O-N 2.9Å; V262-K264 PolarHBondContact O-N 3.43Å; V262-V265 PolarHBondContact O-N 2.81Å; V262-N266 WeakPolarHBondContact O-CB 3.45Å; V262-N266 PolarHBondContact O-N 3.09Å; V262-N266 PolarHBondContact O-ND2 3.46Å
263L89.7Confident81.9Confident65 Ų6570.9 Ų70.934%0.3438%0.379SS..Hα-helixtrans-59.6-48.4177.4177.861.9000111.3T260 H261 V265 N266 D267T260-L263 PolarHBondContact O-N 2.83Å; H261-L263 VanDerWaalsContact C-N 3.31Å; H261-L263 PolarHBondContact O-N 2.94Å; L263-V265 VanDerWaalsContact C-N 3.34Å; L263-V265 PolarHBondContact O-N 3.34Å; L263-N266 PolarHBondContact O-N 3.26Å; L263-D267 WeakPolarHBondContact O-CB 3.39Å; L263-D267 PolarHBondContact O-N 2.84Å
264K90.4Very high79Confident9 Ų977.8 Ų77.84%0.03942%0.416CS..Hα-helixtrans-62.4-38.8178.3-73174174.7-179.70113.2E218 F244 S255 T260 H261 V262 C268E218-K264 VanDerWaalsContact CD-CE 3.43Å; E218-K264 WeakPolarHBondContact OE1-CE 3.24Å; E218-K264 IonicContact OE1-NZ 3.74Å; E218-K264 PolarHBondContact OE1-NZ 2.99Å; E218-K264 WeakPolarHBondContact OE2-CE 3.47Å; E218-K264 IonicContact OE2-NZ 3.82Å; E218-K264 PolarHBondContact OE2-NZ 2.8Å; F244-K264 HydrophobicContact CE1-CB 3.93Å; F244-K264 HydrophobicContact CZ-CB 3.82Å; F244-K264 WeakPolarHBondContact CZ-O 3.25Å; S255-K264 WeakPolarHBondContact OG-CD 3.2Å; T260-K264 WeakPolarHBondContact O-CG 3.39Å; T260-K264 PolarHBondContact O-N 2.85Å; H261-K264 PolarHBondContact O-N 2.89Å; V262-K264 PolarHBondContact O-N 3.43Å; K264-C268 PolarHBondContact O-N 3.33Å
265V90.6Very high76.2Confident41 Ų4182.5 Ų82.525%0.24844%0.441CS..Hα-helixtrans-65.4-44.6176.2171.90000110.1F244 H261 V262 L263 C268 S269F244-V265 HydrophobicContact CB-CG2 4.37Å; F244-V265 HydrophobicContact CD1-CG2 4.3Å; F244-V265 HydrophobicContact CD2-CG2 3.95Å; F244-V265 HydrophobicContact CE2-CG2 4.32Å; F244-V265 HydrophobicContact CG-CG2 3.93Å; H261-V265 WeakPolarHBondContact O-CG2 3.47Å; H261-V265 PolarHBondContact O-N 2.8Å; V262-V265 PolarHBondContact O-N 2.81Å; L263-V265 VanDerWaalsContact C-N 3.34Å; L263-V265 PolarHBondContact O-N 3.34Å; V265-C268 CarbonylContact O-C 3.58Å; V265-C268 PolarHBondContact O-N 3.01Å; V265-S269 WeakPolarHBondContact O-CB 3.4Å; V265-S269 PolarHBondContact O-N 2.72Å; V265-S269 PolarHBondContact O-OG 3.24Å
266N89.9Confident73.3Confident101 Ų10189.1 Ų89.154%0.5448%0.477SS..Hα-helixtrans-64-42.2177.4-68.5-12.3000111.9V262 L263 C268 S269V262-N266 WeakPolarHBondContact O-CB 3.45Å; V262-N266 PolarHBondContact O-N 3.09Å; V262-N266 PolarHBondContact O-ND2 3.46Å; L263-N266 PolarHBondContact O-N 3.26Å; N266-C268 PolarHBondContact O-N 3.49Å; N266-C268 VanDerWaalsContact O-N 3.14Å; N266-S269 PolarHBondContact O-N 3.11Å; N266-S269 VanDerWaalsContact O-N 3.08Å
267D89.8Confident70.6Confident12 Ų1292.9 Ų92.96%0.06450%0.497CS..Hα-helixtrans-57.2-29176.4-75.3-21.7000113.3I42 Y48 Y50 R59 L263I42-D267 WeakPolarHBondContact CG2-O 3.15Å; Y48-D267 WeakPolarHBondContact CE1-OD1 3.2Å; Y48-D267 VanDerWaalsContact CZ-OD1 3.27Å; Y48-D267 PolarHBondContact OH-OD1 2.98Å; Y48-D267 PolarHBondContact OH-OD2 3.42Å; Y48-D267 VanDerWaalsContact OH-OD2 3.05Å; Y50-D267 HydrophobicContact CD1-CB 3.6Å; Y50-D267 HydrophobicContact CD2-CB 4.46Å; Y50-D267 HydrophobicContact CE1-CB 3.8Å; Y50-D267 HydrophobicContact CG-CB 3.95Å; R59-D267 IonicContact CZ-OD2 2.81Å; R59-D267 IonicContact NE-OD2 2.66Å; R59-D267 PolarHBondContact NE-OD2 2.93Å; R59-D267 VanDerWaalsContact NE-OD2 3.11Å; R59-D267 IonicContact NH2-OD2 3.74Å; R59-D267 PolarHBondContact NH2-OD2 3.17Å; L263-D267 WeakPolarHBondContact O-CB 3.39Å; L263-D267 PolarHBondContact O-N 2.84Å
268C90.2Very high67.9Low4 Ų497.4 Ų97.43%0.02752%0.52CS..Hα-helixtrans-101.4-7.8-179.1-890000114.2F244 C246 K264 V265 N266F244-C268 HydrophobicContact CE2-CB 3.71Å; F244-C268 HydrophobicContact CZ-CB 4.45Å; C246-C268 HydrophobicContact CB-CB 3.68Å; C246-C268 WeakPolarHBondContact CB-SG 3.49Å; C246-C268 WeakPolarHBondContact SG-CB 3.43Å; C246-C268 CovalentContact SG-SG 2.04Å; C246-C268 PolarHBondContact SG-SG 3.26Å; K264-C268 PolarHBondContact O-N 3.33Å; V265-C268 CarbonylContact O-C 3.58Å; V265-C268 PolarHBondContact O-N 3.01Å; N266-C268 PolarHBondContact O-N 3.49Å; N266-C268 VanDerWaalsContact O-N 3.14Å
269S84.4Confident65.3Low67 Ų6798.2 Ų98.247%0.46953%0.528SS..SBendtrans-76.7135.6178.1-66.80000109.2V265 N266 E271V265-S269 WeakPolarHBondContact O-CB 3.4Å; V265-S269 PolarHBondContact O-N 2.72Å; V265-S269 PolarHBondContact O-OG 3.24Å; N266-S269 PolarHBondContact O-N 3.11Å; N266-S269 VanDerWaalsContact O-N 3.08Å; S269-E271 PolarHBondContact O-N 2.86Å
270V67.5Low62.7Low97 Ų9796.4 Ų96.459%0.58853%0.528SS*.  trans-71.5113.8165.9-176.40000105.2K272V270-K272 VanDerWaalsContact C-N 3.32Å; V270-K272 PolarHBondContact O-N 3.4Å
271E60.4Low60Low172 Ų172100.2 Ų100.280%0.80456%0.556SS**  trans-53107.6160.7-81-175170.800105.9S269 S273S269-E271 PolarHBondContact O-N 2.86Å; E271-S273 PolarHBondContact O-N 2.94Å
272K43.2Very low57.2Low188 Ų188104 Ų10482%0.81758%0.582SS**  trans-65.894.5166.8-73.5-175.7-179.7-179.80104.9V270 D274V270-K272 VanDerWaalsContact C-N 3.32Å; V270-K272 PolarHBondContact O-N 3.4Å; K272-D274 PolarHBondContact O-N 3.46Å
273S38.8Very low54Low102 Ų102105.3 Ų105.371%0.71359%0.59SS**  trans-47.8113.6161.8520000107.6E271 I275E271-S273 PolarHBondContact O-N 2.94Å; S273-I275 PolarHBondContact O-N 2.83Å; S273-I275 VanDerWaalsContact O-N 3.14Å
274D34.1Very low51.2Low153 Ų153110.9 Ų110.982%0.81862%0.617SS**  trans5.789.4170.5-60.2-42.2000115.8K272K272-D274 PolarHBondContact O-N 3.46Å
275I33.2Very low48.2Very low140 Ų140118.7 Ų118.772%0.71865%0.654SS**  trans-98.595.7150.1-60.7178.6000105.5S273 D277S273-I275 PolarHBondContact O-N 2.83Å; S273-I275 VanDerWaalsContact O-N 3.14Å; I275-D277 VanDerWaalsContact C-N 3.34Å; I275-D277 PolarHBondContact O-N 3.19Å
276N30.2Very low45.1Very low139 Ų139124.5 Ų124.574%0.74368%0.678SS**  trans-42.4103152.4-80-36.3000108.7
277D30.4Very low42.3Very low144 Ų144126.9 Ų126.977%0.7769%0.689SS**  trans-146.785.3145.5-88.1-35000107I275 N279I275-D277 VanDerWaalsContact C-N 3.34Å; I275-D277 PolarHBondContact O-N 3.19Å; D277-N279 VanDerWaalsContact C-N 3.32Å; D277-N279 PolarHBondContact O-N 2.86Å
278L29.7Very low39.3Very low158 Ų158133.6 Ų133.683%0.82772%0.72SS**  trans-47.9104.1146-105.288.2000107.3
279N29.2Very low36.5Very low150 Ų150139.4 Ų139.480%0.80276%0.756SS**  trans163.588.8134.2-83.4-18.5000110.5D277D277-N279 VanDerWaalsContact C-N 3.32Å; D277-N279 PolarHBondContact O-N 2.86Å
280S30.7Very low33.8Very low113 Ų113141.9 Ų141.979%0.7977%0.768SS**  -162.1103.5121.846.80000108.6T282S280-T282 PolarHBondContact O-N 2.76Å
281S27.9Very low31.8Very low111 Ų111144.8 Ų144.878%0.77678%0.779SS**  trans-55.6120.8158169.50000108.3
282T30.3Very low30.1Very low126 Ų126139.8 Ų139.877%0.77377%0.774SS**  trans-141.6101.8150.9-410000107.4S280 M284S280-T282 PolarHBondContact O-N 2.76Å; T282-M284 PolarHBondContact O-N 3.05Å
283T23.8Very low29.3Very low119 Ų119138.1 Ų138.173%0.7377%0.772SS**  trans-41.9115.5172.6-51.40000111.7
284M30.6Very low28.8Very low182 Ų182139.6 Ų139.690%0.89778%0.777SS**  trans-86.3108.4160.9-90.8-82.8-7200107.5T282T282-M284 PolarHBondContact O-N 3.05Å
285E26.5Very low28.4Very low174 Ų174140.7 Ų140.781%0.81378%0.777SS**  trans-61.1135.4177.4-121.7174.8170.500111.5I287E285-I287 PolarHBondContact O-N 2.52Å
286H26Very low28Very low162 Ų162140.6 Ų140.675%0.7578%0.783SS**  trans-69.9107.5176.9-153.1-65.2000108.9E288H286-E288 VanDerWaalsContact C-N 3.27Å; H286-E288 PolarHBondContact O-N 3.14Å
287I32.2Very low27.7Very low151 Ų151142.7 Ų142.777%0.77479%0.788SS**  trans-78.785.3169.4-60.6175.9000107.5E285E285-I287 PolarHBondContact O-N 2.52Å
288E25.2Very low27.4Very low154 Ų154141.9 Ų141.972%0.7279%0.788SS**  trans-91.298.5160.9-133.8177.3-168.400106.7H286H286-E288 VanDerWaalsContact C-N 3.27Å; H286-E288 PolarHBondContact O-N 3.14Å
289T32Very low27.2Very low126 Ų126139.5 Ų139.577%0.77379%0.785SS**  trans-99.895.7169.4-55.60000108.7
290T28.9Very low27Very low118 Ų118140.9 Ų140.972%0.72479%0.786SS**  trans-49.1127.4173.4-57.50000112.8G292T290-G292 PolarHBondContact O-N 3.31Å; T290-G292 VanDerWaalsContact O-N 3.12Å
291L23.7Very low26.8Very low159 Ų159143 Ų14383%0.83279%0.789SS**  trans-58.5102.2160.3-86.1126.3000110
292G26.3Very low26.5Very low67 Ų67146 Ų14669%0.69180%0.796SS**  trans-105.786.5168.600000110.5T290T290-G292 PolarHBondContact O-N 3.31Å; T290-G292 VanDerWaalsContact O-N 3.12Å
293I26.3Very low26.2Very low153 Ų153148.7 Ų148.779%0.78580%0.801SS**  trans-72.9122.3165.2-64.8167.3000106.6
294T28Very low26.1Very low132 Ų132151.9 Ų151.981%0.8181%0.805SS**  trans-129.2125.9165.4-27.50000108.6
295E25.8Very low25.8Very low177 Ų177149.2 Ų149.283%0.82780%0.799SS**  trans-55.3134.7-169.5-72.8165.6123.900114.4
296V25.3Very low25.6Very low137 Ų137147.7 Ų147.783%0.8380%0.802SS**  trans-85.9109.4162.4174.30000107.8V298V296-V298 PolarHBondContact O-N 3.24Å
297Q24.2Very low25.5Very low183 Ų183143.3 Ų143.386%0.85580%0.801SS**  trans-72.5123.2168.2-75.6-156.3-37.500110.7S299Q297-S299 PolarHBondContact O-N 3.08Å
298V23Very low25.2Very low128 Ų128144.9 Ų144.978%0.77681%0.805SS**  trans-70116.6173.3176.40000108.9V296V296-V298 PolarHBondContact O-N 3.24Å
299S25.9Very low25Very low108 Ų108142.8 Ų142.876%0.75580%0.803SS**  trans-111.4104.4161.349.40000109.2Q297Q297-S299 PolarHBondContact O-N 3.08Å
300E24.6Very low24.9Very low178 Ų178144.6 Ų144.683%0.83281%0.808SS**  trans-77.6107.9168.9-112.9177.9159.600108.3
301N26.4Very low24.7Very low159 Ų159148.1 Ų148.185%0.8581%0.813SS**  trans-124.4106.2161.8-86.1-31.9000109.2
302L20.9Very low24.8Very low174 Ų174147 Ų14791%0.91181%0.808SS**  trans-68.1117.5170.5-179.678.7000110.2
303M25.1Very low24.9Very low182 Ų182152.1 Ų152.190%0.89782%0.818SS**  trans-147.6118154-154.6164.3172.500111.5
304K20.3Very low25.1Very low186 Ų186150.3 Ų150.381%0.80982%0.815SS**  trans-54.8145.3164.3-80.6166.9166170.70110.6
305T25.4Very low25Very low126 Ų126149.6 Ų149.677%0.77381%0.81SS**  -176.9125.6114.8-58.80000111.1
306T21.6Very low25Very low141 Ų141152.8 Ų152.887%0.86582%0.815SS**  trans6.6133.4148.2-29.40000120.9
307G24.5Very low25.3Very low71 Ų71151.6 Ų151.673%0.73281%0.808SS**  trans150.488.8155.400000116.8
308E25.4Very low25.6Very low183 Ų183148.6 Ų148.686%0.85580%0.802SS**  trans38126.3143.1-113.7170.5160.700123.8
309T22.3Very low25.9Very low111 Ų111151 Ų15168%0.68181%0.805SS**  trans55.4105.2146.128.10000119.4
310D28.8Very low26.2Very low163 Ų163153 Ų15387%0.87280%0.802SS**  -158.8140.3104.5-109.7-27.6000112.9
311K25.9Very low27Very low193 Ų193152.3 Ų152.384%0.83980%0.804SS**  trans-77.7128.4175.8-62.6163.7175.6170.40107.8
312D25.8Very low27.4Very low134 Ų134153.1 Ų153.172%0.71780%0.8SS**  175.6107.5127.3-151.8-3.8000110.1T314D312-T314 PolarHBondContact OD1-OG1 2.96Å
313L28Very low28.2Very low175 Ų175150.5 Ų150.592%0.91678%0.783SS**  trans-15074.1148-158.771000108T315L313-T315 PolarHBondContact O-N 3.33Å
314T29.6Very low29.2Very low115 Ų115148.6 Ų148.671%0.70678%0.777SS**  trans-60.3124.6175.1-56.40000110.4D312 R316D312-T314 PolarHBondContact OD1-OG1 2.96Å; T314-R316 PolarHBondContact O-N 2.72Å
315T27Very low30.3Very low117 Ų117148.9 Ų148.972%0.71878%0.778SS**  trans-57.5109.9177.6-32.10000110.6L313 T317L313-T315 PolarHBondContact O-N 3.33Å; T315-T317 PolarHBondContact O-N 2.98Å
316R25.8Very low31.4Very low245 Ų245145.7 Ų145.793%0.92576%0.761SS**  trans-89.376.6173.3-162.6176.2-177.7141.8-1.9109.2T314T314-R316 PolarHBondContact O-N 2.72Å
317T31.3Very low32.7Very low112 Ų112142.1 Ų142.169%0.68774%0.735SS**  trans-92.5103.7168.9-41.80000108.9T315 E319T315-T317 PolarHBondContact O-N 2.98Å; T317-E319 PolarHBondContact O-N 3.35Å
318T29.1Very low33.8Very low119 Ų119143.3 Ų143.373%0.7373%0.731SS**  trans9.892.6150.3-27.60000117
319E29.6Very low35Very low179 Ų179138.5 Ų138.584%0.83672%0.716SS**  trans-117.443.4158.3-139.8-178.6-172.800110.1T317 N321T317-E319 PolarHBondContact O-N 3.35Å; E319-N321 PolarHBondContact O-N 2.89Å
320E33.6Very low36.6Very low150 Ų150137 Ų13770%0.70170%0.703SS**THydrogen-bonded Turntrans-91.185169-79.4-175.4166.700109.3
321N39.8Very low38.1Very low163 Ų163136.2 Ų136.287%0.87269%0.689SS**THydrogen-bonded Turntrans-167.915.5151.5-101-33.5000115E319E319-N321 PolarHBondContact O-N 2.89Å
322K36.3Very low40Very low177 Ų177130.6 Ų130.677%0.7767%0.671SS**SBendtrans-102.52.6168.1-103.1178.1-180171.60114.1
323Q36.7Very low41.9Very low118 Ų118128 Ų12855%0.55166%0.66SS**Hα-helixtrans-80.3-31.4-171.9-158.7137.7100113.6K325 S326 H327Q323-K325 PolarHBondContact O-N 3Å; Q323-S326 WeakPolarHBondContact O-CB 3.45Å; Q323-S326 PolarHBondContact O-N 2.89Å; Q323-S326 VanDerWaalsContact O-N 3.12Å; Q323-H327 VanDerWaalsContact CG-CD2 3.48Å; Q323-H327 WeakPolarHBondContact CG-CD2 3.3Å; Q323-H327 WeakPolarHBondContact CG-NE2 3.44Å; Q323-H327 PolarHBondContact O-CD2 3.08Å; Q323-H327 VanDerWaalsContact O-CD2 3.22Å; Q323-H327 PolarHBondContact O-N 2.9Å
324D45.9Very low44.1Very low143 Ų143124 Ų12477%0.76564%0.639SS**Hα-helixtrans-71.6-28.7-176.4-81.2-6.9000114.5S326D324-S326 VanDerWaalsContact C-N 3.32Å
325K45.1Very low46.2Very low191 Ų191119.6 Ų119.683%0.8361%0.612SS**Hα-helixtrans-75.4-23.4172.5-112.8177-178.5174.90113Q323Q323-K325 PolarHBondContact O-N 3Å
326S48.5Very low48.3Very low60 Ų60118.8 Ų118.842%0.4260%0.602SS.*Hα-helixtrans-80.2-38.7-178.8-172.30000112Q323 D324 C328 C329 L330Q323-S326 WeakPolarHBondContact O-CB 3.45Å; Q323-S326 PolarHBondContact O-N 2.89Å; Q323-S326 VanDerWaalsContact O-N 3.12Å; D324-S326 VanDerWaalsContact C-N 3.32Å; S326-C328 PolarHBondContact O-N 3.26Å; S326-C329 PolarHBondContact O-N 3.05Å; S326-L330 PolarHBondContact O-N 2.64Å
327H48Very low50.7Low66 Ų66110.1 Ų110.131%0.30658%0.577SS.*Hα-helixtrans-64.5-41.3-177.6-83.3-82.4000113Q323 C329 L330 Y331Q323-H327 VanDerWaalsContact CG-CD2 3.48Å; Q323-H327 WeakPolarHBondContact CG-CD2 3.3Å; Q323-H327 WeakPolarHBondContact CG-NE2 3.44Å; Q323-H327 PolarHBondContact O-CD2 3.08Å; Q323-H327 VanDerWaalsContact O-CD2 3.22Å; Q323-H327 PolarHBondContact O-N 2.9Å; H327-C329 VanDerWaalsContact C-N 3.31Å; H327-C329 PolarHBondContact O-N 2.66Å; H327-L330 PolarHBondContact O-N 2.69Å; H327-L330 VanDerWaalsContact O-N 3.15Å; H327-Y331 HydrophobicContact CB-CD2 4.2Å; H327-Y331 HydrophobicContact CB-CE2 4.1Å; H327-Y331 AromaticContact ND1-CE2 3.57Å; H327-Y331 WeakPolarHBondContact O-CD2 3.43Å; H327-Y331 PolarHBondContact O-N 3.2Å
328C48.3Very low53Low96 Ų96106.5 Ų106.565%0.64956%0.558SS**Hα-helixtrans-62.5-36.9177.9-112.30000112.9S326 V332S326-C328 PolarHBondContact O-N 3.26Å; C328-V332 WeakPolarHBondContact O-CG2 3.2Å; C328-V332 PolarHBondContact O-N 2.85Å
329C49.9Very low55.3Low82 Ų82102.9 Ų102.955%0.55454%0.538SS*.Hα-helixtrans-70.9-40173.8-720000111.5S326 H327 Y331 V332 V333S326-C329 PolarHBondContact O-N 3.05Å; H327-C329 VanDerWaalsContact C-N 3.31Å; H327-C329 PolarHBondContact O-N 2.66Å; C329-Y331 PolarHBondContact O-N 3.42Å; C329-V332 PolarHBondContact O-N 3.44Å; C329-V333 WeakPolarHBondContact O-CB 3.44Å; C329-V333 WeakPolarHBondContact O-CG2 3.38Å; C329-V333 PolarHBondContact O-N 3.28Å
330L55.5Low57.7Low78 Ų7899.4 Ų99.441%0.40852%0.524SS..Hα-helixtrans-61.1-44.8177.1-87.3158.3000112.3S326 H327 V332 I334S326-L330 PolarHBondContact O-N 2.64Å; H327-L330 PolarHBondContact O-N 2.69Å; H327-L330 VanDerWaalsContact O-N 3.15Å; L330-V332 PolarHBondContact O-N 3.16Å; L330-I334 HydrophobicContact CB-CD1 4.36Å; L330-I334 HydrophobicContact CD2-CD1 3.33Å; L330-I334 HydrophobicContact CD2-CG1 4.2Å; L330-I334 HydrophobicContact CG-CD1 4.46Å; L330-I334 WeakPolarHBondContact O-CB 3.02Å; L330-I334 VanDerWaalsContact O-CG1 3.31Å; L330-I334 WeakPolarHBondContact O-CG1 3.2Å; L330-I334 PolarHBondContact O-N 2.95Å
331Y60.5Low60.1Low147 Ų14798.5 Ų98.558%0.57652%0.518SS*.Hα-helixtrans-73.5-21-177-77.2-69.9000114.5H327 C329 P335H327-Y331 HydrophobicContact CB-CD2 4.2Å; H327-Y331 HydrophobicContact CB-CE2 4.1Å; H327-Y331 AromaticContact ND1-CE2 3.57Å; H327-Y331 WeakPolarHBondContact O-CD2 3.43Å; H327-Y331 PolarHBondContact O-N 3.2Å; C329-Y331 PolarHBondContact O-N 3.42Å; Y331-P335 WeakPolarHBondContact O-CD 3.47Å; Y331-P335 WeakPolarHBondContact O-CG 3.49Å
332V66.5Low62.2Low75 Ų7595.8 Ų95.846%0.45550%0.503SS..Hα-helixtrans-98.9-40.2178.4178.80000111.7C328 C329 L330 P335 L336C328-V332 WeakPolarHBondContact O-CG2 3.2Å; C328-V332 PolarHBondContact O-N 2.85Å; C329-V332 PolarHBondContact O-N 3.44Å; L330-V332 PolarHBondContact O-N 3.16Å; V332-P335 WeakPolarHBondContact O-CD 3.44Å; V332-L336 HydrophobicContact CG1-CD1 3.93Å; V332-L336 WeakPolarHBondContact O-CB 3.28Å; V332-L336 WeakPolarHBondContact O-CD1 3.32Å; V332-L336 WeakPolarHBondContact O-CG 3.46Å; V332-L336 PolarHBondContact O-N 3.15Å
333V66.2Low64.5Low80 Ų8092.4 Ų92.449%0.48549%0.493SS..Hα-helixtrans-76.3-43.2-174.7179.10000111.5C329 L336 V337C329-V333 WeakPolarHBondContact O-CB 3.44Å; C329-V333 WeakPolarHBondContact O-CG2 3.38Å; C329-V333 PolarHBondContact O-N 3.28Å; V333-L336 PolarHBondContact O-N 2.71Å; V333-V337 HydrophobicContact CG1-CG2 4.09Å; V333-V337 WeakPolarHBondContact O-CB 3.43Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.25Å; V333-V337 PolarHBondContact O-N 3.36Å
334I73.4Confident66.7Low92 Ų9290 Ų9047%0.47249%0.488SS..Hα-helixtrans-59-46.2-179-66.5171.5000111.8L330 V337 A338L330-I334 HydrophobicContact CB-CD1 4.36Å; L330-I334 HydrophobicContact CD2-CD1 3.33Å; L330-I334 HydrophobicContact CD2-CG1 4.2Å; L330-I334 HydrophobicContact CG-CD1 4.46Å; L330-I334 WeakPolarHBondContact O-CB 3.02Å; L330-I334 VanDerWaalsContact O-CG1 3.31Å; L330-I334 WeakPolarHBondContact O-CG1 3.2Å; L330-I334 PolarHBondContact O-N 2.95Å; I334-V337 PolarHBondContact O-N 3.1Å; I334-A338 WeakPolarHBondContact O-CB 3.42Å; I334-A338 PolarHBondContact O-N 2.76Å
335P72.5Confident68.7Low22 Ų2287.5 Ų87.514%0.14347%0.474CS..Hα-helixtrans-71.1-33.8179.9-20.835000113.7L15 Y331 V332 V337 A338 S339L15-P335 HydrophobicContact CD1-CB 3.38Å; L15-P335 HydrophobicContact CD1-CG 3.13Å; L15-P335 HydrophobicContact CG-CG 4.45Å; Y331-P335 WeakPolarHBondContact O-CD 3.47Å; Y331-P335 WeakPolarHBondContact O-CG 3.49Å; V332-P335 WeakPolarHBondContact O-CD 3.44Å; P335-V337 VanDerWaalsContact C-N 3.33Å; P335-A338 PolarHBondContact O-N 2.8Å; P335-S339 WeakPolarHBondContact O-CB 3.17Å; P335-S339 PolarHBondContact O-N 2.69Å; P335-S339 PolarHBondContact O-OG 3.05Å
336L72.7Confident70.5Confident99 Ų9980.2 Ų80.252%0.51845%0.453SS..Hα-helixtrans-62.4-43.4173-87.3166.5000111.1V332 V333 S339 L340V332-L336 HydrophobicContact CG1-CD1 3.93Å; V332-L336 WeakPolarHBondContact O-CB 3.28Å; V332-L336 WeakPolarHBondContact O-CD1 3.32Å; V332-L336 WeakPolarHBondContact O-CG 3.46Å; V332-L336 PolarHBondContact O-N 3.15Å; V333-L336 PolarHBondContact O-N 2.71Å; L336-S339 PolarHBondContact O-N 2.99Å; L336-S339 PolarHBondContact O-OG 2.89Å; L336-L340 WeakPolarHBondContact O-CB 3.36Å; L336-L340 WeakPolarHBondContact O-CD1 3.28Å; L336-L340 PolarHBondContact O-N 3.08Å
337V75.7Confident72.3Confident63 Ų6380.5 Ų80.538%0.38245%0.454SS..Hα-helixtrans-65.6-43.6175.8172.20000110.4V333 I334 P335 S339 L340 F341V333-V337 HydrophobicContact CG1-CG2 4.09Å; V333-V337 WeakPolarHBondContact O-CB 3.43Å; V333-V337 VanDerWaalsContact O-CG2 3.26Å; V333-V337 WeakPolarHBondContact O-CG2 3.25Å; V333-V337 PolarHBondContact O-N 3.36Å; I334-V337 PolarHBondContact O-N 3.1Å; P335-V337 VanDerWaalsContact C-N 3.33Å; V337-S339 PolarHBondContact O-N 2.68Å; V337-L340 WeakPolarHBondContact O-CB 3.48Å; V337-L340 PolarHBondContact O-N 2.92Å; V337-F341 HydrophobicContact CG1-CD2 3.69Å; V337-F341 HydrophobicContact CG1-CE2 3.35Å; V337-F341 WeakPolarHBondContact O-CD2 3.33Å; V337-F341 PolarHBondContact O-N 2.85Å
338A78.5Confident74.1Confident37 Ų3783 Ų8331%0.30647%0.468SS..Hα-helixtrans-63.8-39.4177.700000113.1I334 P335 F341 L342I334-A338 WeakPolarHBondContact O-CB 3.42Å; I334-A338 PolarHBondContact O-N 2.76Å; P335-A338 PolarHBondContact O-N 2.8Å; A338-F341 PolarHBondContact O-N 2.83Å; A338-L342 WeakPolarHBondContact O-CG 3.15Å; A338-L342 PolarHBondContact O-N 2.91Å
339S78.4Confident75.9Confident42 Ų4282.8 Ų82.829%0.29446%0.46SS..Hα-helixtrans-68.8-39.217768.50000111.8P335 L336 V337 F341 L342 I343P335-S339 WeakPolarHBondContact O-CB 3.17Å; P335-S339 PolarHBondContact O-N 2.69Å; P335-S339 PolarHBondContact O-OG 3.05Å; L336-S339 PolarHBondContact O-N 2.99Å; L336-S339 PolarHBondContact O-OG 2.89Å; V337-S339 PolarHBondContact O-N 2.68Å; S339-F341 VanDerWaalsContact C-N 3.33Å; S339-F341 PolarHBondContact O-N 2.84Å; S339-L342 PolarHBondContact O-N 2.83Å; S339-I343 VanDerWaalsContact O-CG1 3.27Å; S339-I343 WeakPolarHBondContact O-CG1 3.48Å; S339-I343 PolarHBondContact O-N 2.85Å
340L80.1Confident77.6Confident106 Ų10687.4 Ų87.456%0.55547%0.466SS*.Hα-helixtrans-57.7-44.3170.2-85.6158.5000111.6L336 V337 I343 C344L336-L340 WeakPolarHBondContact O-CB 3.36Å; L336-L340 WeakPolarHBondContact O-CD1 3.28Å; L336-L340 PolarHBondContact O-N 3.08Å; V337-L340 WeakPolarHBondContact O-CB 3.48Å; V337-L340 PolarHBondContact O-N 2.92Å; L340-I343 PolarHBondContact O-N 2.8Å; L340-C344 WeakPolarHBondContact O-CB 3.16Å; L340-C344 PolarHBondContact O-N 3.44Å; L340-C344 PolarHBondContact O-SG 3.46Å
341F83.5Confident78.9Confident132 Ų13292.6 Ų92.658%0.57948%0.48SS*.Hα-helixtrans-63.3-42.4175.9-80.4-65.2000112.7V337 A338 S339 C344 I345V337-F341 HydrophobicContact CG1-CD2 3.69Å; V337-F341 HydrophobicContact CG1-CE2 3.35Å; V337-F341 WeakPolarHBondContact O-CD2 3.33Å; V337-F341 PolarHBondContact O-N 2.85Å; A338-F341 PolarHBondContact O-N 2.83Å; S339-F341 VanDerWaalsContact C-N 3.33Å; S339-F341 PolarHBondContact O-N 2.84Å; F341-C344 PolarHBondContact O-N 3.15Å; F341-I345 VanDerWaalsContact O-CG1 3.27Å; F341-I345 WeakPolarHBondContact O-CG1 3.09Å; F341-I345 PolarHBondContact O-N 2.91Å
342L84.6Confident80Confident105 Ų10592.1 Ų92.155%0.5548%0.477SS..Hα-helixtrans-65.1-40.1177.3-71.7172.5000112.3A338 S339 I345 G346A338-L342 WeakPolarHBondContact O-CG 3.15Å; A338-L342 PolarHBondContact O-N 2.91Å; S339-L342 PolarHBondContact O-N 2.83Å; L342-I345 PolarHBondContact O-N 2.81Å; L342-G346 PolarHBondContact O-N 2.9Å
343I84.2Confident80.8Confident107 Ų10793.2 Ų93.255%0.54948%0.48SS..Hα-helixtrans-62.8-45.8173.9-67.7164.9000109.9S339 L340 I345 G346 C347S339-I343 VanDerWaalsContact O-CG1 3.27Å; S339-I343 WeakPolarHBondContact O-CG1 3.48Å; S339-I343 PolarHBondContact O-N 2.85Å; L340-I343 PolarHBondContact O-N 2.8Å; I343-I345 PolarHBondContact O-N 2.93Å; I343-G346 PolarHBondContact O-N 2.96Å; I343-C347 WeakPolarHBondContact O-CB 3.45Å; I343-C347 PolarHBondContact O-N 3.44Å; I343-C347 PolarHBondContact O-SG 2.85Å
344C83.7Confident81.4Confident68 Ų6894.1 Ų94.146%0.45948%0.482SS..Hα-helixtrans-59.1-45176.3-74.60000112.2L340 F341 C347 I348L340-C344 WeakPolarHBondContact O-CB 3.16Å; L340-C344 PolarHBondContact O-N 3.44Å; L340-C344 PolarHBondContact O-SG 3.46Å; F341-C344 PolarHBondContact O-N 3.15Å; C344-C347 PolarHBondContact O-N 3.36Å; C344-I348 VanDerWaalsContact O-CG1 3.25Å; C344-I348 WeakPolarHBondContact O-CG1 3.1Å; C344-I348 PolarHBondContact O-N 2.78Å
345I88.1Confident81.6Confident89 Ų8999.4 Ų99.446%0.45650%0.496SS..Hα-helixtrans-62.9-44.6176.4-68164.9000110.4F341 L342 I343 C347 I348 I349F341-I345 VanDerWaalsContact O-CG1 3.27Å; F341-I345 WeakPolarHBondContact O-CG1 3.09Å; F341-I345 PolarHBondContact O-N 2.91Å; L342-I345 PolarHBondContact O-N 2.81Å; I343-I345 PolarHBondContact O-N 2.93Å; I345-C347 VanDerWaalsContact C-N 3.34Å; I345-C347 PolarHBondContact O-N 3.29Å; I345-I348 PolarHBondContact O-N 3.05Å; I345-I349 HydrophobicContact CG2-CD1 3.74Å; I345-I349 HydrophobicContact CG2-CG1 4.37Å; I345-I349 WeakPolarHBondContact O-CG1 3.43Å; I345-I349 PolarHBondContact O-N 3.03Å
346G82.7Confident81.8Confident38 Ų38105.5 Ų105.539%0.39252%0.516SS..Hα-helixtrans-57.8-44.5174.600000112.4L342 I343 I348 I349 W350L342-G346 PolarHBondContact O-N 2.9Å; I343-G346 PolarHBondContact O-N 2.96Å; G346-I348 PolarHBondContact O-N 2.86Å; G346-I349 PolarHBondContact O-N 3.14Å; G346-W350 VanDerWaalsContact O-CB 3.25Å; G346-W350 WeakPolarHBondContact O-CB 3.5Å; G346-W350 PolarHBondContact O-N 3.45Å
347C84.7Confident81.9Confident67 Ų67108.6 Ų108.645%0.45353%0.525SS..Hα-helixtrans-63.8-37.9175.3-69.80000112.6I343 C344 I345 R351I343-C347 WeakPolarHBondContact O-CB 3.45Å; I343-C347 PolarHBondContact O-N 3.44Å; I343-C347 PolarHBondContact O-SG 2.85Å; C344-C347 PolarHBondContact O-N 3.36Å; I345-C347 VanDerWaalsContact C-N 3.34Å; I345-C347 PolarHBondContact O-N 3.29Å; C347-R351 WeakPolarHBondContact O-CB 3.48Å; C347-R351 WeakPolarHBondContact O-CG 3.49Å; C347-R351 PolarHBondContact O-N 3.49Å
348I87.3Confident81.6Confident117 Ų117113.9 Ų113.960%0.654%0.543SS*.Hα-helixtrans-66.3-47.8176.6-69.5164.6000110.2C344 I345 G346 W350 R351 W352C344-I348 VanDerWaalsContact O-CG1 3.25Å; C344-I348 WeakPolarHBondContact O-CG1 3.1Å; C344-I348 PolarHBondContact O-N 2.78Å; I345-I348 PolarHBondContact O-N 3.05Å; G346-I348 PolarHBondContact O-N 2.86Å; I348-W350 VanDerWaalsContact C-N 3.34Å; I348-W350 PolarHBondContact O-N 3.23Å; I348-R351 PolarHBondContact O-N 3Å; I348-W352 WeakPolarHBondContact O-CB 3.41Å; I348-W352 PolarHBondContact O-N 2.83Å
349I86.5Confident81Confident92 Ų92116.5 Ų116.547%0.47256%0.559SS.*Hα-helixtrans-61.9-44.4178-65.9168.1000110.2I345 G346 W352 L353I345-I349 HydrophobicContact CG2-CD1 3.74Å; I345-I349 HydrophobicContact CG2-CG1 4.37Å; I345-I349 WeakPolarHBondContact O-CG1 3.43Å; I345-I349 PolarHBondContact O-N 3.03Å; G346-I349 PolarHBondContact O-N 3.14Å; I349-W352 WeakPolarHBondContact O-CB 3.21Å; I349-W352 PolarHBondContact O-N 3.27Å; I349-L353 HydrophobicContact CG2-CD1 4.01Å; I349-L353 HydrophobicContact CG2-CG 4.45Å; I349-L353 WeakPolarHBondContact O-CG 3.39Å; I349-L353 PolarHBondContact O-N 3.35Å
350W84.5Confident80.1Confident180 Ų180121.5 Ų121.568%0.68258%0.583SS**Hα-helixtrans-59.9-47.5176.5-175.2-72.7000112G346 I348 W352 L353 L354G346-W350 VanDerWaalsContact O-CB 3.25Å; G346-W350 WeakPolarHBondContact O-CB 3.5Å; G346-W350 PolarHBondContact O-N 3.45Å; I348-W350 VanDerWaalsContact C-N 3.34Å; I348-W350 PolarHBondContact O-N 3.23Å; W350-W352 VanDerWaalsContact C-N 3.28Å; W350-W352 PolarHBondContact O-N 3.18Å; W350-L353 PolarHBondContact O-N 2.8Å; W350-L354 VanDerWaalsContact CD1-CD1 3.4Å; W350-L354 VanDerWaalsContact NE1-CD1 3.28Å; W350-L354 PolarHBondContact O-N 2.89Å
351R83.1Confident78.7Confident187 Ų187127.1 Ų127.171%0.70661%0.606SS**Hα-helixtrans-61.9-37.1175.9-79.5-175.7175.4-155.5-0.1112C347 I348 R355C347-R351 WeakPolarHBondContact O-CB 3.48Å; C347-R351 WeakPolarHBondContact O-CG 3.49Å; C347-R351 PolarHBondContact O-N 3.49Å; I348-R351 PolarHBondContact O-N 3Å; R351-R355 PolarHBondContact O-N 2.95Å
352W83.9Confident78.5Confident136 Ų136126.9 Ų126.952%0.51561%0.608SS.*Hα-helixtrans-67.6-41.8177.5-170.781.4000112.1I348 I349 W350 R355 R356I348-W352 WeakPolarHBondContact O-CB 3.41Å; I348-W352 PolarHBondContact O-N 2.83Å; I349-W352 WeakPolarHBondContact O-CB 3.21Å; I349-W352 PolarHBondContact O-N 3.27Å; W350-W352 VanDerWaalsContact C-N 3.28Å; W350-W352 PolarHBondContact O-N 3.18Å; W352-R355 PolarHBondContact O-N 3.28Å; W352-R356 VanDerWaalsContact CH2-NE 3.3Å; W352-R356 VanDerWaalsContact CZ2-NH2 3.33Å; W352-R356 PolarHBondContact O-N 3.32Å; W352-R356 VanDerWaalsContact O-N 3.15Å
353L83.1Confident78.2Confident98 Ų98128.1 Ų128.151%0.51361%0.611SS.*Hα-helixtrans-65.5-41.2174.5-71.1170.8000112.4I349 W350 R355 R356 K357I349-L353 HydrophobicContact CG2-CD1 4.01Å; I349-L353 HydrophobicContact CG2-CG 4.45Å; I349-L353 WeakPolarHBondContact O-CG 3.39Å; I349-L353 PolarHBondContact O-N 3.35Å; W350-L353 PolarHBondContact O-N 2.8Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.38Å; L353-R356 PolarHBondContact O-N 3.01Å; L353-K357 PolarHBondContact O-N 3.21Å; L353-K357 VanDerWaalsContact O-N 3.11Å
354L77.6Confident77.9Confident100 Ų100129.2 Ų129.252%0.52461%0.614SS.*Hα-helixtrans-61.2-40.6174.5-81.3174.4000112.3W350 K357 K358W350-L354 VanDerWaalsContact CD1-CD1 3.4Å; W350-L354 VanDerWaalsContact NE1-CD1 3.28Å; W350-L354 PolarHBondContact O-N 2.89Å; L354-K357 PolarHBondContact O-N 3.34Å; L354-K358 PolarHBondContact O-N 3.17Å
355R79.2Confident77.5Confident203 Ų203132.8 Ų132.877%0.76662%0.623SS**Hα-helixtrans-63.5-40.1175.5-81.6-172.8-175.7179.41.6112.3R351 W352 L353 K357 K358 S359R351-R355 PolarHBondContact O-N 2.95Å; W352-R355 PolarHBondContact O-N 3.28Å; L353-R355 VanDerWaalsContact C-N 3.34Å; L353-R355 PolarHBondContact O-N 3.38Å; R355-K357 VanDerWaalsContact C-N 3.34Å; R355-K357 PolarHBondContact O-N 3.28Å; R355-K358 PolarHBondContact O-N 2.78Å; R355-S359 PolarHBondContact O-N 2.84Å
356R76.4Confident76.9Confident149 Ų149135.6 Ų135.656%0.56263%0.633SS**Hα-helixtrans-63.3-39.4176.2-83.8-171.4172.2-164.4-3.7112.4W352 L353 K358 S359W352-R356 VanDerWaalsContact CH2-NE 3.3Å; W352-R356 VanDerWaalsContact CZ2-NH2 3.33Å; W352-R356 PolarHBondContact O-N 3.32Å; W352-R356 VanDerWaalsContact O-N 3.15Å; L353-R356 PolarHBondContact O-N 3.01Å; R356-K358 VanDerWaalsContact C-N 3.28Å; R356-K358 PolarHBondContact O-N 2.98Å; R356-S359 PolarHBondContact O-N 2.94Å
357K74.1Confident76.5Confident165 Ų165142.1 Ų142.172%0.71765%0.65SS**Hα-helixtrans-65.3-33.7-179.8-153.4176.7-177.8-175.80112.3L353 L354 R355 S359L353-K357 PolarHBondContact O-N 3.21Å; L353-K357 VanDerWaalsContact O-N 3.11Å; L354-K357 PolarHBondContact O-N 3.34Å; R355-K357 VanDerWaalsContact C-N 3.34Å; R355-K357 PolarHBondContact O-N 3.28Å; K357-S359 VanDerWaalsContact C-N 3.33Å; K357-S359 PolarHBondContact O-N 3.12Å
358K69.7Low75.9Confident173 Ų173147.4 Ų147.475%0.75266%0.664SS**THydrogen-bonded Turntrans-79.1-8.6179.4-143-176.9-173.8-175.50115L354 R355 R356L354-K358 PolarHBondContact O-N 3.17Å; R355-K358 PolarHBondContact O-N 2.78Å; R356-K358 VanDerWaalsContact C-N 3.28Å; R356-K358 PolarHBondContact O-N 2.98Å
359S65.9Low75Confident93 Ų93149.8 Ų149.865%0.6567%0.669SS**THydrogen-bonded Turntrans-97.3-8.1175.6-174.60000112.8R355 R356 K357R355-S359 PolarHBondContact O-N 2.84Å; R356-S359 PolarHBondContact O-N 2.94Å; K357-S359 VanDerWaalsContact C-N 3.33Å; K357-S359 PolarHBondContact O-N 3.12Å
360N58.5Low74Confident146 Ų146154.6 Ų154.678%0.78169%0.685SS**  trans-104.34.1178.8-73.7-0.4000112.5
361E52.6Low73.1Confident225 Ų225152.3 Ų152.3100%1.05169%0.685SS**  trans-104.50156.8-85.9176.6158.900107.2

Retrieved 361 of 361 residues in 91.3 ms (Link to these results)

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