A0A096MXB8_PAPAN Loading...

Tumor necrosis factor ligand superfamily member

Cytokine that binds to TNFRSF10A/TRAILR1, TNFRSF10B/TRAILR2, TNFRSF10C/TRAILR3, TNFRSF10D/TRAILR4 and possibly also to TNFRSF11B/OPG. Induces apoptosis. Its activity may be modulated by binding to the decoy receptors TNFRSF10C/TRAILR3, TNFRSF10D/TRAILR4 and TNFRSF11B/OPG that cannot induce apoptosis.

AlphaFold DB (F6S9W7), UniProt , Accession A0A096MXB8, Species PAPAN (Papio anubis, Olive baboon), Gene TNFSF10, Length 281 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
1M38.3Very low51.4Low247 Ų247136 Ų136100%1.21781%0.813SS**  0131.50-86.8176.8-171.600108.3
2A42.9Very low53.2Low96 Ų96133.9 Ų133.979%0.79381%0.805SS**  trans55.594.1161.900000118.2
3M37.6Very low55.1Low195 Ų195127.1 Ų127.196%0.96178%0.779SS**  trans-76.7119.7145-76.6-173.111800107.3E5M3-E5 PolarHBondContact O-N 2.66Å
4M47.3Very low57Low186 Ų186125.9 Ų125.992%0.91676%0.761SS**  trans-72.6116168.7-74.8173.3128.600108.3A6M4-A6 PolarHBondContact O-N 3.2Å
5E42Very low58.7Low190 Ų190121.3 Ų121.389%0.88873%0.733SS**  trans-70.7116.1165.2-78.4-177.3147.300109M3 Q7M3-E5 PolarHBondContact O-N 2.66Å; E5-Q7 PolarHBondContact O-N 3.04Å
6A46.5Very low60.4Low99 Ų99118.7 Ų118.782%0.81872%0.721SS**  trans-76.1108.6167.400000108.4M4 G8M4-A6 PolarHBondContact O-N 3.2Å; A6-G8 PolarHBondContact O-N 3.02Å; A6-G8 VanDerWaalsContact O-N 3.14Å
7Q48.4Very low62.1Low195 Ų195116.6 Ų116.691%0.91171%0.708SS**  trans-60.7113.6170.8-87.3169.6-35.300109.6E5 G9E5-Q7 PolarHBondContact O-N 3.04Å; Q7-G9 PolarHBondContact O-N 2.84Å
8G54.3Low63.6Low78 Ų78116.2 Ų116.280%0.80470%0.7SS**PPolyproline II helixtrans-61125.4175.200000111A6A6-G8 PolarHBondContact O-N 3.02Å; A6-G8 VanDerWaalsContact O-N 3.14Å
9G65.4Low65Low64 Ų64115.2 Ų115.266%0.6669%0.69SS**PPolyproline II helixtrans-63.4156.7176.500000112.4Q7Q7-G9 PolarHBondContact O-N 2.84Å
10P66.1Low66.3Low91 Ų91115 Ų11559%0.59168%0.684SS**PPolyproline II helixtrans-59.6140-177.922.8-31.1000111.3Q14P10-Q14 HydrophobicContact CB-CB 4.43Å
11S76.3Confident67.7Low55 Ų55113.8 Ų113.839%0.38567%0.674SS.*PPolyproline II helixtrans-62.3151.2179.865.60000111.1G13 Q14 T15S11-G13 PolarHBondContact O-N 2.73Å; S11-Q14 WeakPolarHBondContact O-CB 3.44Å; S11-Q14 PolarHBondContact O-N 2.86Å; S11-Q14 WeakPolarHBondContact OG-CG 3.38Å; S11-Q14 PolarHBondContact OG-OE1 3.1Å; S11-T15 PolarHBondContact O-N 2.71Å; S11-T15 VanDerWaalsContact O-N 3.14Å; S11-T15 PolarHBondContact O-OG1 2.68Å
12P73.6Confident70.4Confident111 Ų111108.5 Ų108.572%0.72164%0.644SS**Hα-helixtrans-54.4-33.1-178.5-24.132000113.7C16P12-C16 PolarHBondContact O-N 2.91Å; P12-C16 VanDerWaalsContact O-N 3.09Å
13G77.8Confident72.7Confident45 Ų45106.6 Ų106.646%0.46462%0.623SS.*Hα-helixtrans-68.7-40.117600000113.2S11 T15 C16 V17S11-G13 PolarHBondContact O-N 2.73Å; G13-T15 VanDerWaalsContact C-N 3.33Å; G13-C16 PolarHBondContact O-N 2.78Å; G13-V17 WeakPolarHBondContact O-CG2 3.48Å; G13-V17 PolarHBondContact O-N 3.41Å
14Q80.8Confident75.5Confident111 Ų111101.6 Ų101.652%0.51960%0.603SS.*Hα-helixtrans-64.5-39.9174.8-75.4169-43.400111.3P10 S11 V17 L18P10-Q14 HydrophobicContact CB-CB 4.43Å; S11-Q14 WeakPolarHBondContact O-CB 3.44Å; S11-Q14 PolarHBondContact O-N 2.86Å; S11-Q14 WeakPolarHBondContact OG-CG 3.38Å; S11-Q14 PolarHBondContact OG-OE1 3.1Å; Q14-V17 PolarHBondContact O-N 2.85Å; Q14-L18 WeakPolarHBondContact O-CB 3.45Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.44Å; Q14-L18 PolarHBondContact O-N 2.97Å
15T82.5Confident77.8Confident57 Ų5798.1 Ų98.135%0.3559%0.588SS.*Hα-helixtrans-63.9-41.7176.1-50.80000111.8S11 G13 L18 I19S11-T15 PolarHBondContact O-N 2.71Å; S11-T15 VanDerWaalsContact O-N 3.14Å; S11-T15 PolarHBondContact O-OG1 2.68Å; G13-T15 VanDerWaalsContact C-N 3.33Å; T15-L18 PolarHBondContact O-N 3.19Å; T15-I19 HydrophobicContact CG2-CD1 4.14Å; T15-I19 VanDerWaalsContact O-CG1 3.27Å; T15-I19 WeakPolarHBondContact O-CG1 3.09Å; T15-I19 PolarHBondContact O-N 2.75Å
16C86.1Confident80.4Confident79 Ų7993.2 Ų93.253%0.53457%0.567SS.*Hα-helixtrans-62.4-43.8174.4-83.10000112.8P12 G13 L18 I19 L20P12-C16 PolarHBondContact O-N 2.91Å; P12-C16 VanDerWaalsContact O-N 3.09Å; G13-C16 PolarHBondContact O-N 2.78Å; C16-L18 VanDerWaalsContact C-N 3.33Å; C16-L18 PolarHBondContact O-N 2.77Å; C16-I19 PolarHBondContact O-N 3.23Å; C16-L20 WeakPolarHBondContact O-CG 3.36Å; C16-L20 PolarHBondContact O-N 2.73Å
17V89.3Confident82.7Confident84 Ų8495 Ų9551%0.50956%0.558SS.*Hα-helixtrans-62.8-42.2178.2171.20000110.9G13 Q14 I19 L20 I21G13-V17 WeakPolarHBondContact O-CG2 3.48Å; G13-V17 PolarHBondContact O-N 3.41Å; Q14-V17 PolarHBondContact O-N 2.85Å; V17-I19 PolarHBondContact O-N 2.8Å; V17-L20 PolarHBondContact O-N 3.07Å; V17-I21 HydrophobicContact CG1-CD1 3.81Å; V17-I21 HydrophobicContact CG1-CG1 4.49Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.4Å; V17-I21 PolarHBondContact O-N 3.1Å
18L89.4Confident84.9Confident108 Ų10889.6 Ų89.657%0.56554%0.542SS*.Hα-helixtrans-63.8-40.1176.7-71.9170.4000112.4Q14 T15 C16 I21 F22Q14-L18 WeakPolarHBondContact O-CB 3.45Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.44Å; Q14-L18 PolarHBondContact O-N 2.97Å; T15-L18 PolarHBondContact O-N 3.19Å; C16-L18 VanDerWaalsContact C-N 3.33Å; C16-L18 PolarHBondContact O-N 2.77Å; L18-I21 PolarHBondContact O-N 3.46Å; L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 3.48Å
19I90.8Very high87Confident97 Ų9791.2 Ų91.250%0.49753%0.531SS..Hα-helixtrans-63.2-45.9175.2-69.1165.3000110.4T15 C16 V17 I21 F22 T23T15-I19 HydrophobicContact CG2-CD1 4.14Å; T15-I19 VanDerWaalsContact O-CG1 3.27Å; T15-I19 WeakPolarHBondContact O-CG1 3.09Å; T15-I19 PolarHBondContact O-N 2.75Å; C16-I19 PolarHBondContact O-N 3.23Å; V17-I19 PolarHBondContact O-N 2.8Å; I19-I21 PolarHBondContact O-N 2.86Å; I19-F22 PolarHBondContact O-N 2.88Å; I19-T23 HydrophobicContact CG2-CG2 4.35Å; I19-T23 WeakPolarHBondContact O-CG2 3.39Å; I19-T23 PolarHBondContact O-N 3.44Å; I19-T23 PolarHBondContact O-OG1 3.18Å
20L91.5Very high88.4Confident112 Ų11291.4 Ų91.459%0.58652%0.522SS*.Hα-helixtrans-60.4-46.9178.2-72.6173.9000111.6C16 V17 F22 T23 V24C16-L20 WeakPolarHBondContact O-CG 3.36Å; C16-L20 PolarHBondContact O-N 2.73Å; V17-L20 PolarHBondContact O-N 3.07Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.08Å; L20-T23 WeakPolarHBondContact CA-OG1 3.19Å; L20-T23 PolarHBondContact O-N 3.49Å; L20-T23 PolarHBondContact O-OG1 2.87Å; L20-V24 WeakPolarHBondContact O-CG2 3.26Å; L20-V24 PolarHBondContact O-N 2.92Å
21I93.9Very high89.9Confident89 Ų8990 Ų9046%0.45652%0.518SS..Hα-helixtrans-58.2-46.1176.3-68166.5000110.5V17 L18 I19 T23 V24 L25V17-I21 HydrophobicContact CG1-CD1 3.81Å; V17-I21 HydrophobicContact CG1-CG1 4.49Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.4Å; V17-I21 PolarHBondContact O-N 3.1Å; L18-I21 PolarHBondContact O-N 3.46Å; I19-I21 PolarHBondContact O-N 2.86Å; I21-T23 PolarHBondContact O-N 2.89Å; I21-V24 PolarHBondContact O-N 2.87Å; I21-L25 HydrophobicContact CG2-CD1 3.87Å; I21-L25 HydrophobicContact CG2-CG 4.38Å; I21-L25 WeakPolarHBondContact O-CB 3.45Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.27Å; I21-L25 PolarHBondContact O-N 2.93Å
22F95.1Very high90.8Very high137 Ų13789.9 Ų89.960%0.60152%0.52SS*.Hα-helixtrans-61.8-42.7178.6-175-96.9000112.2L18 I19 L20 V24 L25 L26L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 3.48Å; I19-F22 PolarHBondContact O-N 2.88Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.08Å; F22-V24 PolarHBondContact O-N 2.84Å; F22-L25 PolarHBondContact O-N 3.18Å; F22-L26 HydrophobicContact CE1-CD2 4.29Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 PolarHBondContact O-N 2.82Å
23T92.5Very high91.9Very high55 Ų5588.9 Ų88.934%0.33751%0.512SS..Hα-helixtrans-64.2-40.6178.157.50000112.5I19 L20 I21 L26 Q27I19-T23 HydrophobicContact CG2-CG2 4.35Å; I19-T23 WeakPolarHBondContact O-CG2 3.39Å; I19-T23 PolarHBondContact O-N 3.44Å; I19-T23 PolarHBondContact O-OG1 3.18Å; L20-T23 WeakPolarHBondContact CA-OG1 3.19Å; L20-T23 PolarHBondContact O-N 3.49Å; L20-T23 PolarHBondContact O-OG1 2.87Å; I21-T23 PolarHBondContact O-N 2.89Å; T23-L26 PolarHBondContact O-N 3.07Å; T23-Q27 WeakPolarHBondContact O-CB 3.28Å; T23-Q27 VanDerWaalsContact O-CG 3.28Å; T23-Q27 WeakPolarHBondContact O-CG 3.36Å; T23-Q27 PolarHBondContact O-N 2.92Å
24V95.7Very high92.7Very high90 Ų9090.9 Ų90.955%0.54552%0.515SS..Hα-helixtrans-67.1-42.6177.7172.80000110.9L20 I21 F22 Q27 S28L20-V24 WeakPolarHBondContact O-CG2 3.26Å; L20-V24 PolarHBondContact O-N 2.92Å; I21-V24 PolarHBondContact O-N 2.87Å; F22-V24 PolarHBondContact O-N 2.84Å; V24-Q27 PolarHBondContact O-N 3.09Å; V24-S28 WeakPolarHBondContact O-CB 3.46Å; V24-S28 PolarHBondContact O-N 3.43Å
25L95.8Very high93.5Very high114 Ų11493.5 Ų93.560%0.59752%0.522SS*.Hα-helixtrans-62.7-43.1176-71.7173.7000111.6I21 F22 S28 L29I21-L25 HydrophobicContact CG2-CD1 3.87Å; I21-L25 HydrophobicContact CG2-CG 4.38Å; I21-L25 WeakPolarHBondContact O-CB 3.45Å; I21-L25 VanDerWaalsContact O-CG 3.3Å; I21-L25 WeakPolarHBondContact O-CG 3.27Å; I21-L25 PolarHBondContact O-N 2.93Å; F22-L25 PolarHBondContact O-N 3.18Å; L25-S28 PolarHBondContact O-N 2.98Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 PolarHBondContact O-N 2.6Å
26L95.8Very high94.1Very high86 Ų8695.4 Ų95.445%0.4553%0.533SS..Hα-helixtrans-64.9-43.7177.7-173.963.5000111.6F22 T23 S28 L29 C30F22-L26 HydrophobicContact CE1-CD2 4.29Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 PolarHBondContact O-N 2.82Å; T23-L26 PolarHBondContact O-N 3.07Å; L26-S28 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 2.87Å; L26-C30 PolarHBondContact O-N 3.38Å; L26-C30 PolarHBondContact O-SG 2.7Å; L26-C30 VanDerWaalsContact O-SG 3.39Å
27Q95.4Very high94.5Very high138 Ų13898.5 Ų98.565%0.64553%0.534SS*.Hα-helixtrans-61.3-43.3175.3-77.9178.3-19.500111.9T23 V24 L29 C30 A31T23-Q27 WeakPolarHBondContact O-CB 3.28Å; T23-Q27 VanDerWaalsContact O-CG 3.28Å; T23-Q27 WeakPolarHBondContact O-CG 3.36Å; T23-Q27 PolarHBondContact O-N 2.92Å; V24-Q27 PolarHBondContact O-N 3.09Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.12Å; Q27-C30 PolarHBondContact O-N 3.24Å; Q27-A31 WeakPolarHBondContact O-CB 3.27Å; Q27-A31 PolarHBondContact O-N 3.12Å
28S95.7Very high94.7Very high80 Ų80100.6 Ų100.656%0.55954%0.537SS*.Hα-helixtrans-62.5-41.3176.8-173.90000111.9V24 L25 L26 A32V24-S28 WeakPolarHBondContact O-CB 3.46Å; V24-S28 PolarHBondContact O-N 3.43Å; L25-S28 PolarHBondContact O-N 2.98Å; L26-S28 PolarHBondContact O-N 3.39Å; S28-A32 WeakPolarHBondContact O-CB 3.37Å; S28-A32 PolarHBondContact O-N 2.84Å
29L97Very high94.8Very high112 Ų11298.3 Ų98.359%0.58653%0.527SS*.Hα-helixtrans-65.5-46.9177.5-175.969.3000111.2L25 L26 Q27 A31 A32 V33L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 PolarHBondContact O-N 2.6Å; L26-L29 PolarHBondContact O-N 2.87Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-A31 PolarHBondContact O-N 3.15Å; L29-A32 PolarHBondContact O-N 2.7Å; L29-V33 WeakPolarHBondContact O-CG2 3.38Å; L29-V33 PolarHBondContact O-N 3.16Å
30C96.3Very high94.8Very high69 Ų6998.7 Ų98.747%0.46653%0.53SS..Hα-helixtrans-58.3-46.9176-73.70000111.4L26 Q27 A32 V33 T34L26-C30 PolarHBondContact O-N 3.38Å; L26-C30 PolarHBondContact O-SG 2.7Å; L26-C30 VanDerWaalsContact O-SG 3.39Å; Q27-C30 PolarHBondContact O-N 3.24Å; C30-A32 VanDerWaalsContact C-N 3.34Å; C30-A32 PolarHBondContact O-N 3.05Å; C30-V33 PolarHBondContact O-N 3Å; C30-T34 PolarHBondContact O-N 3.33Å; C30-T34 PolarHBondContact O-OG1 2.81Å
31A95.9Very high94.8Very high61 Ų6196.4 Ų96.450%0.50452%0.517SS..Hα-helixtrans-59.9-42.817800000112.1Q27 L29 T34 Y35Q27-A31 WeakPolarHBondContact O-CB 3.27Å; Q27-A31 PolarHBondContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-A31 PolarHBondContact O-N 3.15Å; A31-T34 PolarHBondContact O-N 2.85Å; A31-Y35 VanDerWaalsContact O-CB 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.34Å; A31-Y35 PolarHBondContact O-N 3.36Å
32A96.4Very high94.2Very high52 Ų5296.5 Ų96.543%0.4352%0.518SS..Hα-helixtrans-63.6-44.1177.400000112.1S28 L29 C30 Y35 V36S28-A32 WeakPolarHBondContact O-CB 3.37Å; S28-A32 PolarHBondContact O-N 2.84Å; L29-A32 PolarHBondContact O-N 2.7Å; C30-A32 VanDerWaalsContact C-N 3.34Å; C30-A32 PolarHBondContact O-N 3.05Å; A32-Y35 PolarHBondContact O-N 2.79Å; A32-V36 WeakPolarHBondContact O-CG2 3.1Å; A32-V36 PolarHBondContact O-N 2.83Å
33V96.8Very high93.5Very high90 Ų9096.3 Ų96.355%0.54552%0.517SS..Hα-helixtrans-63.4-46.8177.3172.40000110.9L29 C30 Y35 V36 Y37L29-V33 WeakPolarHBondContact O-CG2 3.38Å; L29-V33 PolarHBondContact O-N 3.16Å; C30-V33 PolarHBondContact O-N 3Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 2.96Å; V33-V36 PolarHBondContact O-N 3.3Å; V33-Y37 WeakPolarHBondContact O-CB 3.02Å; V33-Y37 PolarHBondContact O-N 3.42Å
34T94.9Very high93Very high87 Ų8797.8 Ų97.853%0.53452%0.52SS..Hα-helixtrans-63.9-40177.8-53.50000111.5C30 A31 Y37 F38C30-T34 PolarHBondContact O-N 3.33Å; C30-T34 PolarHBondContact O-OG1 2.81Å; A31-T34 PolarHBondContact O-N 2.85Å; T34-Y37 PolarHBondContact O-N 2.9Å; T34-F38 WeakPolarHBondContact O-CB 3.19Å; T34-F38 PolarHBondContact O-N 2.79Å
35Y96.4Very high91.9Very high167 Ų16798.3 Ų98.366%0.65552%0.517SS*.Hα-helixtrans-60.8-47.3175.7177.9-95.1000111.7A31 A32 V33 F38 T39A31-Y35 VanDerWaalsContact O-CB 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.34Å; A31-Y35 PolarHBondContact O-N 3.36Å; A32-Y35 PolarHBondContact O-N 2.79Å; V33-Y35 VanDerWaalsContact C-N 3.34Å; V33-Y35 PolarHBondContact O-N 2.96Å; Y35-F38 PolarHBondContact O-N 2.63Å; Y35-T39 VanDerWaalsContact O-CB 3.28Å; Y35-T39 WeakPolarHBondContact O-CB 3.11Å; Y35-T39 PolarHBondContact O-N 2.96Å; Y35-T39 PolarHBondContact O-OG1 3.17Å
36V95.4Very high90.6Very high97 Ų9799.4 Ų99.459%0.58852%0.52SS*.Hα-helixtrans-63.8-45.9177.6171.40000111A32 V33 T39 N40A32-V36 WeakPolarHBondContact O-CG2 3.1Å; A32-V36 PolarHBondContact O-N 2.83Å; V33-V36 PolarHBondContact O-N 3.3Å; V36-T39 PolarHBondContact O-N 3.2Å; V36-N40 WeakPolarHBondContact O-CB 3.27Å; V36-N40 PolarHBondContact O-N 3.08Å
37Y95.5Very high89.3Confident144 Ų14499.5 Ų99.557%0.56552%0.52SS*.Hα-helixtrans-58.6-50.3177.4176.3-101.3000111.5V33 T34 T39 N40 E41V33-Y37 WeakPolarHBondContact O-CB 3.02Å; V33-Y37 PolarHBondContact O-N 3.42Å; T34-Y37 PolarHBondContact O-N 2.9Å; Y37-T39 PolarHBondContact O-N 2.64Å; Y37-N40 WeakPolarHBondContact O-CB 3.18Å; Y37-N40 PolarHBondContact O-N 2.64Å; Y37-E41 HydrophobicContact CD1-CG 4.47Å; Y37-E41 HydrophobicContact CE1-CG 3.97Å; Y37-E41 HydrophobicContact CE2-CG 4.09Å; Y37-E41 PolarHBondContact O-N 3.23Å
38F93Very high88Confident127 Ų12798.9 Ų98.956%0.55752%0.516SS*.Hα-helixtrans-65.1-40.3-179-167.3-104.6000112T34 Y35 N40 E41 L42T34-F38 WeakPolarHBondContact O-CB 3.19Å; T34-F38 PolarHBondContact O-N 2.79Å; Y35-F38 PolarHBondContact O-N 2.63Å; F38-N40 VanDerWaalsContact C-N 3.28Å; F38-N40 PolarHBondContact O-N 2.95Å; F38-E41 PolarHBondContact O-N 3.47Å; F38-L42 HydrophobicContact CD1-CD1 3.6Å; F38-L42 HydrophobicContact CD1-CG 4.01Å; F38-L42 HydrophobicContact CE1-CD1 3.39Å; F38-L42 HydrophobicContact CE1-CD2 4.23Å; F38-L42 HydrophobicContact CE1-CG 3.8Å; F38-L42 HydrophobicContact CZ-CD1 4.24Å; F38-L42 HydrophobicContact CZ-CD2 4.28Å; F38-L42 HydrophobicContact CZ-CG 4.23Å; F38-L42 WeakPolarHBondContact O-CB 3.4Å; F38-L42 WeakPolarHBondContact O-CG 3.49Å; F38-L42 PolarHBondContact O-N 2.91Å
39T90.9Very high86.2Confident60 Ų60103 Ų10337%0.36852%0.52SS..Hα-helixtrans-62.4-38.5175.2-55.20000111.1Y35 V36 Y37 K43Y35-T39 VanDerWaalsContact O-CB 3.28Å; Y35-T39 WeakPolarHBondContact O-CB 3.11Å; Y35-T39 PolarHBondContact O-N 2.96Å; Y35-T39 PolarHBondContact O-OG1 3.17Å; V36-T39 PolarHBondContact O-N 3.2Å; Y37-T39 PolarHBondContact O-N 2.64Å; T39-K43 WeakPolarHBondContact O-CB 3.21Å; T39-K43 PolarHBondContact O-N 3.35Å
40N91.3Very high84.3Confident105 Ų105101.1 Ų101.156%0.56152%0.516SS*.Hα-helixtrans-69.3-42.6178-163.234.7000112.2V36 Y37 F38 K43 Q44V36-N40 WeakPolarHBondContact O-CB 3.27Å; V36-N40 PolarHBondContact O-N 3.08Å; Y37-N40 WeakPolarHBondContact O-CB 3.18Å; Y37-N40 PolarHBondContact O-N 2.64Å; F38-N40 VanDerWaalsContact C-N 3.28Å; F38-N40 PolarHBondContact O-N 2.95Å; N40-K43 PolarHBondContact O-N 2.88Å; N40-Q44 PolarHBondContact O-N 3.11Å
41E90.3Very high82.5Confident65 Ų65106.2 Ų106.230%0.30453%0.53SS..Hα-helixtrans-64.7-42.8174.5-74.4-62.3138.900112.1Y37 F38 K43 Q44 M45Y37-E41 HydrophobicContact CD1-CG 4.47Å; Y37-E41 HydrophobicContact CE1-CG 3.97Å; Y37-E41 HydrophobicContact CE2-CG 4.09Å; Y37-E41 PolarHBondContact O-N 3.23Å; F38-E41 PolarHBondContact O-N 3.47Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.21Å; E41-Q44 WeakPolarHBondContact O-CB 3.46Å; E41-Q44 PolarHBondContact O-N 2.93Å; E41-M45 WeakPolarHBondContact O-CG 3.4Å; E41-M45 PolarHBondContact O-N 3.5Å
42L82.7Confident80.8Confident91 Ų91105.8 Ų105.848%0.47652%0.523SS..Hα-helixtrans-59.5-42.4173.6-78.9179.1000111.6F38 Q44 M45 Q46F38-L42 HydrophobicContact CD1-CD1 3.6Å; F38-L42 HydrophobicContact CD1-CG 4.01Å; F38-L42 HydrophobicContact CE1-CD1 3.39Å; F38-L42 HydrophobicContact CE1-CD2 4.23Å; F38-L42 HydrophobicContact CE1-CG 3.8Å; F38-L42 HydrophobicContact CZ-CD1 4.24Å; F38-L42 HydrophobicContact CZ-CD2 4.28Å; F38-L42 HydrophobicContact CZ-CG 4.23Å; F38-L42 WeakPolarHBondContact O-CB 3.4Å; F38-L42 WeakPolarHBondContact O-CG 3.49Å; F38-L42 PolarHBondContact O-N 2.91Å; L42-Q44 VanDerWaalsContact C-N 3.35Å; L42-M45 PolarHBondContact O-N 3.07Å; L42-Q46 WeakPolarHBondContact O-CB 3.26Å; L42-Q46 PolarHBondContact O-N 2.76Å
43K80.3Confident79Confident133 Ų133105.3 Ų105.358%0.57852%0.524SS*.Hα-helixtrans-64.4-40.2175.9-168.2174.6-177.5176.60111.5T39 N40 E41 Q46 D47T39-K43 WeakPolarHBondContact O-CB 3.21Å; T39-K43 PolarHBondContact O-N 3.35Å; N40-K43 PolarHBondContact O-N 2.88Å; E41-K43 VanDerWaalsContact C-N 3.3Å; E41-K43 PolarHBondContact O-N 3.21Å; K43-Q46 PolarHBondContact O-N 2.82Å; K43-D47 WeakPolarHBondContact O-CB 3.37Å; K43-D47 PolarHBondContact O-N 3.08Å
44Q80.6Confident77.4Confident86 Ų86105.7 Ų105.740%0.40252%0.522SS..Hα-helixtrans-64.7-40.9175.5-164.8-163.389.100112N40 E41 L42 D47 K48N40-Q44 PolarHBondContact O-N 3.11Å; E41-Q44 WeakPolarHBondContact O-CB 3.46Å; E41-Q44 PolarHBondContact O-N 2.93Å; L42-Q44 VanDerWaalsContact C-N 3.35Å; Q44-D47 PolarHBondContact O-N 2.62Å; Q44-K48 WeakPolarHBondContact O-CG 3.23Å; Q44-K48 PolarHBondContact O-N 2.82Å
45M72.6Confident75.9Confident100 Ų100103.3 Ų103.349%0.49351%0.511SS..Hα-helixtrans-62.1-48.7173.1-75.7-69.6-142.100110.7E41 L42 D47 K48 Y49E41-M45 WeakPolarHBondContact O-CG 3.4Å; E41-M45 PolarHBondContact O-N 3.5Å; L42-M45 PolarHBondContact O-N 3.07Å; M45-D47 VanDerWaalsContact C-N 3.3Å; M45-D47 PolarHBondContact O-N 2.95Å; M45-K48 PolarHBondContact O-N 3.24Å; M45-K48 VanDerWaalsContact O-N 3.09Å; M45-Y49 HydrophobicContact CB-CD2 4.48Å; M45-Y49 WeakPolarHBondContact O-CD2 3.46Å; M45-Y49 PolarHBondContact O-N 3.5Å; M45-Y49 HydrophobicContact SD-CE2 4.45Å
46Q69.7Low74.6Confident138 Ų13896.1 Ų96.165%0.64549%0.485SS*.Hα-helixtrans-58.4-40.9177.6-172.3174.74.900112L42 K43 Y49 S50L42-Q46 WeakPolarHBondContact O-CB 3.26Å; L42-Q46 PolarHBondContact O-N 2.76Å; K43-Q46 PolarHBondContact O-N 2.82Å; Q46-Y49 PolarHBondContact O-N 3.18Å; Q46-S50 VanDerWaalsContact O-CB 3.26Å; Q46-S50 WeakPolarHBondContact O-CB 3.43Å; Q46-S50 PolarHBondContact O-N 3.31Å; Q46-S50 PolarHBondContact O-OG 2.99Å
47D67.3Low73.2Confident87 Ų8796.2 Ų96.247%0.46548%0.478SS..Hα-helixtrans-66.4-35.5174.8-99.416.9000113K43 Q44 M45 S50 K51K43-D47 WeakPolarHBondContact O-CB 3.37Å; K43-D47 PolarHBondContact O-N 3.08Å; Q44-D47 PolarHBondContact O-N 2.62Å; M45-D47 VanDerWaalsContact C-N 3.3Å; M45-D47 PolarHBondContact O-N 2.95Å; D47-S50 WeakPolarHBondContact CA-OG 3.48Å; D47-S50 PolarHBondContact O-OG 2.82Å; D47-S50 VanDerWaalsContact O-OG 3.09Å; D47-K51 VanDerWaalsContact O-CB 3.27Å; D47-K51 WeakPolarHBondContact O-CB 3.42Å; D47-K51 WeakPolarHBondContact O-CG 3.35Å; D47-K51 PolarHBondContact O-N 3.24Å
48K68.6Low71.6Confident126 Ų12695.9 Ų95.955%0.54849%0.485SS..Hα-helixtrans-70.7-39.6174.4-76.7172.2176.6167.60111.8Q44 M45 S52Q44-K48 WeakPolarHBondContact O-CG 3.23Å; Q44-K48 PolarHBondContact O-N 2.82Å; M45-K48 PolarHBondContact O-N 3.24Å; M45-K48 VanDerWaalsContact O-N 3.09Å; K48-S52 PolarHBondContact O-N 3.22Å
49Y58.9Low70.1Confident167 Ų16796.5 Ų96.566%0.65549%0.487SS*.Hα-helixtrans-70-39175.4-82.2-74.4000112M45 Q46 S52M45-Y49 HydrophobicContact CB-CD2 4.48Å; M45-Y49 WeakPolarHBondContact O-CD2 3.46Å; M45-Y49 PolarHBondContact O-N 3.5Å; M45-Y49 HydrophobicContact SD-CE2 4.45Å; Q46-Y49 PolarHBondContact O-N 3.18Å; Y49-S52 WeakPolarHBondContact O-CB 3.28Å; Y49-S52 PolarHBondContact O-N 2.95Å
50S57.1Low68.3Low71 Ų71102.7 Ų102.750%0.49751%0.512SS..Hα-helixtrans-71.2-31.4177.270.70000112.8Q46 D47 S52Q46-S50 VanDerWaalsContact O-CB 3.26Å; Q46-S50 WeakPolarHBondContact O-CB 3.43Å; Q46-S50 PolarHBondContact O-N 3.31Å; Q46-S50 PolarHBondContact O-OG 2.99Å; D47-S50 WeakPolarHBondContact CA-OG 3.48Å; D47-S50 PolarHBondContact O-OG 2.82Å; D47-S50 VanDerWaalsContact O-OG 3.09Å; S50-S52 VanDerWaalsContact C-N 3.33Å
51K58.1Low66.6Low177 Ų177101.3 Ų101.377%0.7750%0.504SS*.Hα-helixtrans-75.4-16.9171.8-81.6179.6176.4173.10114.1D47 G53D47-K51 VanDerWaalsContact O-CB 3.27Å; D47-K51 WeakPolarHBondContact O-CB 3.42Å; D47-K51 WeakPolarHBondContact O-CG 3.35Å; D47-K51 PolarHBondContact O-N 3.24Å; K51-G53 PolarHBondContact O-N 3.16Å
52S59.8Low64.7Low51 Ų51106.7 Ų106.736%0.35754%0.535SS..SBendtrans-75.3119.4170.9-173.30000108.5K48 Y49 S50 I54 A55K48-S52 PolarHBondContact O-N 3.22Å; Y49-S52 WeakPolarHBondContact O-CB 3.28Å; Y49-S52 PolarHBondContact O-N 2.95Å; S50-S52 VanDerWaalsContact C-N 3.33Å; S52-I54 PolarHBondContact O-N 3.35Å; S52-A55 PolarHBondContact O-N 3.49Å
53G58Low63.4Low42 Ų42106 Ų10643%0.43354%0.538SS..THydrogen-bonded Turntrans-56.1-6.4-176.200000115.6K51K51-G53 PolarHBondContact O-N 3.16Å
54I63.7Low62Low99 Ų99104.6 Ų104.651%0.50855%0.545SS..THydrogen-bonded Turntrans-73-27.3175.2-49.8173.9000112.3S52 C56 F57 L58S52-I54 PolarHBondContact O-N 3.35Å; I54-C56 PolarHBondContact O-N 3.17Å; I54-C56 VanDerWaalsContact O-N 3.14Å; I54-F57 PolarHBondContact O-N 2.76Å; I54-L58 HydrophobicContact CG2-CD1 3.91Å; I54-L58 HydrophobicContact CG2-CG 4.13Å; I54-L58 PolarHBondContact O-N 2.93Å
55A64.6Low60.9Low37 Ų37104.7 Ų104.731%0.30654%0.542SS..Hα-helixtrans-58.3-30.4177.900000112.5S52 F57 L58 K59S52-A55 PolarHBondContact O-N 3.49Å; A55-F57 VanDerWaalsContact C-N 3.26Å; A55-F57 PolarHBondContact O-N 2.72Å; A55-L58 PolarHBondContact O-N 2.97Å; A55-K59 PolarHBondContact O-N 3.09Å
56C67.8Low60.3Low16 Ų16103.2 Ų103.211%0.10854%0.536CS..Hα-helixtrans-69.7-19.5175.6-71.50000114.6I54 C77 K81I54-C56 PolarHBondContact O-N 3.17Å; I54-C56 VanDerWaalsContact O-N 3.14Å; C56-C77 WeakPolarHBondContact CA-SG 3.09Å; C56-C77 HydrophobicContact CB-CB 3.47Å; C56-C77 VanDerWaalsContact CB-CB 3.47Å; C56-C77 WeakPolarHBondContact CB-SG 3.4Å; C56-C77 WeakPolarHBondContact SG-CA 3.38Å; C56-C77 WeakPolarHBondContact SG-CB 3.29Å; C56-C77 CovalentContact SG-SG 2.04Å; C56-C77 PolarHBondContact SG-SG 3.02Å; C56-K81 WeakPolarHBondContact O-CE 3.32Å
57F65.9Low59.7Low99 Ų9998.7 Ų98.743%0.43452%0.518SS..Hα-helixtrans-97.5-21.3178.4-60.5-60.4000113.2I54 A55 V80 K81 L84I54-F57 PolarHBondContact O-N 2.76Å; A55-F57 VanDerWaalsContact C-N 3.26Å; A55-F57 PolarHBondContact O-N 2.72Å; F57-V80 HydrophobicContact CE1-CG1 4.26Å; F57-V80 HydrophobicContact CE2-CG1 3.84Å; F57-V80 HydrophobicContact CZ-CG1 3.48Å; F57-V80 VanDerWaalsContact CZ-CG1 3.48Å; F57-K81 HydrophobicContact CE1-CG 4.49Å; F57-L84 HydrophobicContact CD1-CD2 4.24Å; F57-L84 HydrophobicContact CE1-CB 4.45Å; F57-L84 HydrophobicContact CE1-CD2 3.43Å; F57-L84 VanDerWaalsContact CE1-CD2 3.43Å; F57-L84 HydrophobicContact CZ-CB 4.49Å; F57-L84 HydrophobicContact CZ-CD2 3.9Å
58L62.5Low59.4Low137 Ų137101.2 Ų101.272%0.71753%0.532SS*.Hα-helixtrans-91.4-12.5-178-65.7173.4000113.6I54 A55 E60I54-L58 HydrophobicContact CG2-CD1 3.91Å; I54-L58 HydrophobicContact CG2-CG 4.13Å; I54-L58 PolarHBondContact O-N 2.93Å; A55-L58 PolarHBondContact O-N 2.97Å; L58-E60 PolarHBondContact O-N 3.24Å; L58-E60 VanDerWaalsContact O-N 3.17Å
59K60.7Low59.4Low139 Ų13998.6 Ų98.660%0.60452%0.524SS*.  trans-77.7101.5175.2-161176.9178.6-173.40108.9A55 D61A55-K59 PolarHBondContact O-N 3.09Å; K59-D61 VanDerWaalsContact C-N 3.29Å; K59-D61 PolarHBondContact O-N 2.91Å
60E53.5Low59.5Low191 Ų19197.5 Ų97.589%0.89353%0.525SS*.  trans-63.988.6168-75.2173.6161.700108.6L58L58-E60 PolarHBondContact O-N 3.24Å; L58-E60 VanDerWaalsContact O-N 3.17Å
61D55.4Low59.6Low75 Ų75102.1 Ų102.140%0.40154%0.539SS..  trans-93109.8161.2-77.2-33.5000106.5K59 S63K59-D61 VanDerWaalsContact C-N 3.29Å; K59-D61 PolarHBondContact O-N 2.91Å; D61-S63 PolarHBondContact O-N 2.83Å
62D50.7Low59.7Low178 Ų17894.4 Ų94.495%0.95251%0.507SS*.  trans-65.53.7176.6-108.7-16.1000113.6
63S55.6Low59.6Low76 Ų7697.4 Ų97.453%0.53152%0.517SS..SBendtrans-79.7129.5177.656.90000110.5D61 W65D61-S63 PolarHBondContact O-N 2.83Å; S63-W65 PolarHBondContact O-N 2.97Å
64S50.5Low59.7Low105 Ų105102.9 Ų102.973%0.73453%0.529SS*.  trans-57.4109.5171.9630000108.8D66S64-D66 PolarHBondContact O-N 2.63Å
65W57.7Low59.9Low88 Ų8899.9 Ų99.933%0.33352%0.516SS..  trans-67.193.5-179.4-100.163.5000110.7S63 S72 W78 K81S63-W65 PolarHBondContact O-N 2.97Å; W65-S72 WeakPolarHBondContact CH2-OG 3.41Å; W65-S72 WeakPolarHBondContact CZ3-OG 3.37Å; W65-W78 HydrophobicContact CE3-CE3 4.31Å; W65-W78 HydrophobicContact CE3-CZ3 4.16Å; W65-W78 AromaticContact CH2-CE3 3.69Å; W65-W78 HydrophobicContact CH2-CE3 3.69Å; W65-W78 HydrophobicContact CH2-CZ3 4.34Å; W65-W78 HydrophobicContact CZ3-CD2 4.43Å; W65-W78 AromaticContact CZ3-CE3 3.35Å; W65-W78 HydrophobicContact CZ3-CE3 3.35Å; W65-W78 AromaticContact CZ3-CZ3 3.62Å; W65-W78 HydrophobicContact CZ3-CZ3 3.62Å; W65-K81 HydrophobicContact CD2-CD 4.04Å; W65-K81 VanDerWaalsContact CE2-NZ 3.25Å; W65-K81 HydrophobicContact CE3-CB 4.34Å; W65-K81 HydrophobicContact CE3-CD 4.04Å; W65-K81 HydrophobicContact CH2-CB 3.9Å; W65-K81 HydrophobicContact CH2-CD 3.2Å; W65-K81 HydrophobicContact CH2-CG 4.14Å; W65-K81 HydrophobicContact CZ2-CD 3.16Å; W65-K81 HydrophobicContact CZ2-CG 4.49Å; W65-K81 VanDerWaalsContact CZ2-NZ 3.31Å; W65-K81 HydrophobicContact CZ3-CB 3.66Å; W65-K81 HydrophobicContact CZ3-CD 3.62Å; W65-K81 HydrophobicContact CZ3-CG 4.28Å
66D60.4Low60.1Low69 Ų69104.3 Ų104.337%0.36954%0.542SS..  trans-84.8127.6166.6-162.8-38.6000109.4S64 N68 D69S64-D66 PolarHBondContact O-N 2.63Å; D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 PolarHBondContact OD1-N 2.82Å; D66-D69 HydrophobicContact CB-CB 4.28Å; D66-D69 VanDerWaalsContact CB-CG 3.47Å; D66-D69 VanDerWaalsContact CB-OD2 3.25Å; D66-D69 WeakPolarHBondContact CB-OD2 3.5Å; D66-D69 PolarHBondContact O-N 2.96Å
67P57.7Low60.4Low42 Ų42104.8 Ų104.827%0.27355%0.545SS..THydrogen-bonded Turntrans-59.6-17.1172.623.3-35.6000115.9W78P67-W78 HydrophobicContact CB-CH2 4.41Å; P67-W78 VanDerWaalsContact O-CH2 3.29Å; P67-W78 WeakPolarHBondContact O-CH2 3.46Å
68N61.1Low60.9Low140 Ų140102.2 Ų102.275%0.74953%0.533SS*.THydrogen-bonded Turntrans-100.70.5-179-69-22.7000113.1D66 E70D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 PolarHBondContact OD1-N 2.82Å; N68-E70 PolarHBondContact O-N 2.88Å
69D67.9Low61.4Low71 Ų71102 Ų10238%0.3853%0.528SS..  trans-73.7119.3178.2-75.9-17.7000110.9D66 E71 S72 M73D66-D69 HydrophobicContact CB-CB 4.28Å; D66-D69 VanDerWaalsContact CB-CG 3.47Å; D66-D69 VanDerWaalsContact CB-OD2 3.25Å; D66-D69 WeakPolarHBondContact CB-OD2 3.5Å; D66-D69 PolarHBondContact O-N 2.96Å; D69-E71 PolarHBondContact O-N 2.9Å; D69-E71 VanDerWaalsContact O-N 3.15Å; D69-S72 WeakPolarHBondContact O-CB 3.37Å; D69-S72 PolarHBondContact O-N 3Å; D69-M73 PolarHBondContact O-N 2.92Å
70E61.2Low62.3Low144 Ų14497.7 Ų97.767%0.67351%0.513SS*.THydrogen-bonded Turntrans-60.4-24.7178.9-135.4-171.7177.300112.7N68 K74N68-E70 PolarHBondContact O-N 2.88Å; E70-K74 WeakPolarHBondContact O-CG 3.26Å
71E58.9Low63.3Low169 Ų16990.7 Ų90.779%0.7948%0.48SS*.THydrogen-bonded Turntrans-78.3-34.5176.8-164.4166.6-162.600112D69 K74D69-E71 PolarHBondContact O-N 2.9Å; D69-E71 VanDerWaalsContact O-N 3.15Å; E71-K74 PolarHBondContact O-N 2.95Å
72S59Low64.4Low15 Ų1592.8 Ų92.811%0.10548%0.482CS..G310 helixtrans-69.8-38.6177.1-167.70000111.8W65 D69 K74 S75 W78W65-S72 WeakPolarHBondContact CH2-OG 3.41Å; W65-S72 WeakPolarHBondContact CZ3-OG 3.37Å; D69-S72 WeakPolarHBondContact O-CB 3.37Å; D69-S72 PolarHBondContact O-N 3Å; S72-K74 PolarHBondContact O-N 3.07Å; S72-S75 PolarHBondContact O-N 2.8Å; S72-S75 PolarHBondContact O-OG 2.95Å; S72-W78 VanDerWaalsContact OG-CZ3 3.3Å; S72-W78 WeakPolarHBondContact OG-CZ3 3.2Å
73M58.3Low65.8Low113 Ų11389.2 Ų89.256%0.55746%0.46SS*.G310 helixtrans-63.5-22.4174.8-80.8176.277.600114D69 S75 W78D69-M73 PolarHBondContact O-N 2.92Å; M73-S75 VanDerWaalsContact C-N 3.34Å; M73-W78 HydrophobicContact CG-CD2 4.11Å; M73-W78 HydrophobicContact CG-CE3 4.47Å; M73-W78 HydrophobicContact CG-CH2 4.05Å; M73-W78 HydrophobicContact CG-CZ2 3.63Å; M73-W78 HydrophobicContact CG-CZ3 4.45Å
74K60.9Low67Low158 Ų15889.6 Ų89.669%0.68746%0.455SS*.G310 helixtrans-83.1-10.1178.5-70.6170.5-172.6169.60113.2E70 E71 S72E70-K74 WeakPolarHBondContact O-CG 3.26Å; E71-K74 PolarHBondContact O-N 2.95Å; S72-K74 PolarHBondContact O-N 3.07Å
75S67.9Low68.4Low35 Ų3589.3 Ų89.325%0.24544%0.438CS..SBendtrans-75135.9-178.973.80000111.5S72 M73 C77 W78S72-S75 PolarHBondContact O-N 2.8Å; S72-S75 PolarHBondContact O-OG 2.95Å; M73-S75 VanDerWaalsContact C-N 3.34Å; S75-C77 PolarHBondContact O-N 3.03Å; S75-W78 WeakPolarHBondContact O-CB 3.37Å; S75-W78 PolarHBondContact O-N 3.47Å; S75-W78 PolarHBondContact OG-N 2.85Å
76P68.4Low69.4Low130 Ų13088.2 Ų88.284%0.84444%0.437SS*.THydrogen-bonded Turntrans-57.6-18.2172.6-25.133.9000113.9
77C74.2Confident70.5Confident27 Ų2790.1 Ų90.118%0.18245%0.446CS..THydrogen-bonded Turntrans-91-7.7179.5-69.90000114.6C56 S75 Q79 V80 K81C56-C77 WeakPolarHBondContact CA-SG 3.09Å; C56-C77 HydrophobicContact CB-CB 3.47Å; C56-C77 VanDerWaalsContact CB-CB 3.47Å; C56-C77 WeakPolarHBondContact CB-SG 3.4Å; C56-C77 WeakPolarHBondContact SG-CA 3.38Å; C56-C77 WeakPolarHBondContact SG-CB 3.29Å; C56-C77 CovalentContact SG-SG 2.04Å; C56-C77 PolarHBondContact SG-SG 3.02Å; S75-C77 PolarHBondContact O-N 3.03Å; C77-Q79 VanDerWaalsContact C-N 3.35Å; C77-Q79 PolarHBondContact O-N 3.04Å; C77-V80 PolarHBondContact O-N 3.12Å; C77-K81 PolarHBondContact O-N 2.89Å
78W75.4Confident71.6Confident44 Ų4491 Ų9117%0.16745%0.451CS..Hα-helixtrans-52.8-50-178.7172.6-108.1000112.7W65 P67 S72 M73 S75 V80 K81 W82W65-W78 HydrophobicContact CE3-CE3 4.31Å; W65-W78 HydrophobicContact CE3-CZ3 4.16Å; W65-W78 AromaticContact CH2-CE3 3.69Å; W65-W78 HydrophobicContact CH2-CE3 3.69Å; W65-W78 HydrophobicContact CH2-CZ3 4.34Å; W65-W78 HydrophobicContact CZ3-CD2 4.43Å; W65-W78 AromaticContact CZ3-CE3 3.35Å; W65-W78 HydrophobicContact CZ3-CE3 3.35Å; W65-W78 AromaticContact CZ3-CZ3 3.62Å; W65-W78 HydrophobicContact CZ3-CZ3 3.62Å; P67-W78 HydrophobicContact CB-CH2 4.41Å; P67-W78 VanDerWaalsContact O-CH2 3.29Å; P67-W78 WeakPolarHBondContact O-CH2 3.46Å; S72-W78 VanDerWaalsContact OG-CZ3 3.3Å; S72-W78 WeakPolarHBondContact OG-CZ3 3.2Å; M73-W78 HydrophobicContact CG-CD2 4.11Å; M73-W78 HydrophobicContact CG-CE3 4.47Å; M73-W78 HydrophobicContact CG-CH2 4.05Å; M73-W78 HydrophobicContact CG-CZ2 3.63Å; M73-W78 HydrophobicContact CG-CZ3 4.45Å; S75-W78 WeakPolarHBondContact O-CB 3.37Å; S75-W78 PolarHBondContact O-N 3.47Å; S75-W78 PolarHBondContact OG-N 2.85Å; W78-V80 VanDerWaalsContact C-N 3.34Å; W78-V80 PolarHBondContact O-N 2.82Å; W78-K81 PolarHBondContact O-N 2.9Å; W78-W82 AromaticContact CZ2-CD1 3.89Å; W78-W82 WeakPolarHBondContact O-CB 3.36Å; W78-W82 PolarHBondContact O-N 3.09Å
79Q75.1Confident72.5Confident134 Ų13489.7 Ų89.763%0.62644%0.436SS*.Hα-helixtrans-64.3-40.6-175-168.2168.11.600112.1C77 Q83C77-Q79 VanDerWaalsContact C-N 3.35Å; C77-Q79 PolarHBondContact O-N 3.04Å; Q79-Q83 WeakPolarHBondContact O-CB 3.42Å; Q79-Q83 VanDerWaalsContact O-CG 3.28Å; Q79-Q83 WeakPolarHBondContact O-CG 3.27Å; Q79-Q83 PolarHBondContact O-N 2.78Å
80V77.6Confident73.1Confident48 Ų4893.1 Ų93.129%0.29145%0.447SS..Hα-helixtrans-67.3-47.5178.61780000110.8F57 C77 W78 W82 Q83 L84F57-V80 HydrophobicContact CE1-CG1 4.26Å; F57-V80 HydrophobicContact CE2-CG1 3.84Å; F57-V80 HydrophobicContact CZ-CG1 3.48Å; F57-V80 VanDerWaalsContact CZ-CG1 3.48Å; C77-V80 PolarHBondContact O-N 3.12Å; W78-V80 VanDerWaalsContact C-N 3.34Å; W78-V80 PolarHBondContact O-N 2.82Å; V80-W82 PolarHBondContact O-N 2.8Å; V80-Q83 PolarHBondContact O-N 2.88Å; V80-L84 PolarHBondContact O-N 2.92Å
81K76.4Confident73.6Confident43 Ų4392.8 Ų92.819%0.18745%0.447CS..Hα-helixtrans-62.8-40.7176.7-76.4178.5170.4-174.60111.8C56 F57 W65 C77 W78 L84 R85C56-K81 WeakPolarHBondContact O-CE 3.32Å; F57-K81 HydrophobicContact CE1-CG 4.49Å; W65-K81 HydrophobicContact CD2-CD 4.04Å; W65-K81 VanDerWaalsContact CE2-NZ 3.25Å; W65-K81 HydrophobicContact CE3-CB 4.34Å; W65-K81 HydrophobicContact CE3-CD 4.04Å; W65-K81 HydrophobicContact CH2-CB 3.9Å; W65-K81 HydrophobicContact CH2-CD 3.2Å; W65-K81 HydrophobicContact CH2-CG 4.14Å; W65-K81 HydrophobicContact CZ2-CD 3.16Å; W65-K81 HydrophobicContact CZ2-CG 4.49Å; W65-K81 VanDerWaalsContact CZ2-NZ 3.31Å; W65-K81 HydrophobicContact CZ3-CB 3.66Å; W65-K81 HydrophobicContact CZ3-CD 3.62Å; W65-K81 HydrophobicContact CZ3-CG 4.28Å; C77-K81 PolarHBondContact O-N 2.89Å; W78-K81 PolarHBondContact O-N 2.9Å; K81-L84 PolarHBondContact O-N 3.29Å; K81-R85 PolarHBondContact O-N 3.11Å
82W77.8Confident74.3Confident120 Ų12086.6 Ų86.646%0.45542%0.419SS..Hα-helixtrans-65.7-45.6177.9-173.695.4000112.2W78 V80 L84 R85 Q86W78-W82 AromaticContact CZ2-CD1 3.89Å; W78-W82 WeakPolarHBondContact O-CB 3.36Å; W78-W82 PolarHBondContact O-N 3.09Å; V80-W82 PolarHBondContact O-N 2.8Å; W82-L84 VanDerWaalsContact C-N 3.34Å; W82-L84 PolarHBondContact O-N 2.67Å; W82-R85 PolarHBondContact O-N 2.99Å; W82-Q86 HydrophobicContact CD2-CG 3.86Å; W82-Q86 HydrophobicContact CE3-CG 3.75Å; W82-Q86 HydrophobicContact CH2-CG 3.63Å; W82-Q86 HydrophobicContact CZ2-CG 3.73Å; W82-Q86 HydrophobicContact CZ3-CG 3.64Å; W82-Q86 WeakPolarHBondContact O-CG 3.26Å; W82-Q86 PolarHBondContact O-N 3.28Å
83Q79.7Confident75Confident103 Ų10390.9 Ų90.948%0.48144%0.44SS..Hα-helixtrans-61.2-42.3176.7-77.7-179.2-34.900111.9Q79 V80 R85 Q86 L87Q79-Q83 WeakPolarHBondContact O-CB 3.42Å; Q79-Q83 VanDerWaalsContact O-CG 3.28Å; Q79-Q83 WeakPolarHBondContact O-CG 3.27Å; Q79-Q83 PolarHBondContact O-N 2.78Å; V80-Q83 PolarHBondContact O-N 2.88Å; Q83-R85 VanDerWaalsContact C-N 3.35Å; Q83-R85 PolarHBondContact O-N 3.03Å; Q83-Q86 PolarHBondContact O-N 2.82Å; Q83-L87 WeakPolarHBondContact O-CG 3.47Å; Q83-L87 PolarHBondContact O-N 2.91Å
84L80.9Confident75.4Confident83 Ų8392.9 Ų92.944%0.43544%0.442SS..Hα-helixtrans-59.9-45.9174.4-178.365.3000111.2F57 V80 K81 W82 Q86 L87 V88F57-L84 HydrophobicContact CD1-CD2 4.24Å; F57-L84 HydrophobicContact CE1-CB 4.45Å; F57-L84 HydrophobicContact CE1-CD2 3.43Å; F57-L84 VanDerWaalsContact CE1-CD2 3.43Å; F57-L84 HydrophobicContact CZ-CB 4.49Å; F57-L84 HydrophobicContact CZ-CD2 3.9Å; V80-L84 PolarHBondContact O-N 2.92Å; K81-L84 PolarHBondContact O-N 3.29Å; W82-L84 VanDerWaalsContact C-N 3.34Å; W82-L84 PolarHBondContact O-N 2.67Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.63Å; L84-L87 WeakPolarHBondContact O-CB 3.33Å; L84-L87 PolarHBondContact O-N 3.19Å; L84-V88 WeakPolarHBondContact O-CG2 2.94Å; L84-V88 PolarHBondContact O-N 3.07Å
85R79.4Confident75.2Confident99 Ų9986.9 Ų86.937%0.37442%0.418SS..Hα-helixtrans-61.3-40.5177.5-169.8-178.9-174.1-1696.5112.3K81 W82 Q83 V88 R89K81-R85 PolarHBondContact O-N 3.11Å; W82-R85 PolarHBondContact O-N 2.99Å; Q83-R85 VanDerWaalsContact C-N 3.35Å; Q83-R85 PolarHBondContact O-N 3.03Å; R85-V88 PolarHBondContact O-N 3.41Å; R85-R89 WeakPolarHBondContact O-CB 3.41Å; R85-R89 WeakPolarHBondContact O-CG 3.47Å; R85-R89 PolarHBondContact O-N 2.92Å
86Q80Confident74.7Confident66 Ų6687.5 Ų87.531%0.30842%0.423SS..Hα-helixtrans-65.6-39.6176-71.3-63.5-20.400112W82 Q83 L84 R89 K90W82-Q86 HydrophobicContact CD2-CG 3.86Å; W82-Q86 HydrophobicContact CE3-CG 3.75Å; W82-Q86 HydrophobicContact CH2-CG 3.63Å; W82-Q86 HydrophobicContact CZ2-CG 3.73Å; W82-Q86 HydrophobicContact CZ3-CG 3.64Å; W82-Q86 WeakPolarHBondContact O-CG 3.26Å; W82-Q86 PolarHBondContact O-N 3.28Å; Q83-Q86 PolarHBondContact O-N 2.82Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.63Å; Q86-R89 PolarHBondContact O-N 2.8Å; Q86-K90 WeakPolarHBondContact O-CB 3.47Å; Q86-K90 PolarHBondContact O-N 3.41Å
87L82.3Confident74.3Confident108 Ų10887.7 Ų87.757%0.56541%0.412SS*.Hα-helixtrans-63.4-45174.5-76.2165.8000111.6Q83 L84 K90 M91Q83-L87 WeakPolarHBondContact O-CG 3.47Å; Q83-L87 PolarHBondContact O-N 2.91Å; L84-L87 WeakPolarHBondContact O-CB 3.33Å; L84-L87 PolarHBondContact O-N 3.19Å; L87-K90 PolarHBondContact O-N 3.37Å; L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 WeakPolarHBondContact O-CG 3.45Å; L87-M91 PolarHBondContact O-N 3.05Å
88V80.7Confident73.4Confident62 Ų6291.4 Ų91.438%0.37643%0.427SS..Hα-helixtrans-59.7-49.8175.1171.90000110.5L84 R85 K90 M91 I92L84-V88 WeakPolarHBondContact O-CG2 2.94Å; L84-V88 PolarHBondContact O-N 3.07Å; R85-V88 PolarHBondContact O-N 3.41Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 2.85Å; V88-M91 PolarHBondContact O-N 3.09Å; V88-I92 HydrophobicContact CG1-CD1 3.76Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 2.84Å
89R79.8Confident72.2Confident112 Ų11291.1 Ų91.142%0.42343%0.43SS..Hα-helixtrans-58.4-44.4175.5-80.4-179.2172.5168.5-5.2112.4R85 Q86 I92 L93R85-R89 WeakPolarHBondContact O-CB 3.41Å; R85-R89 WeakPolarHBondContact O-CG 3.47Å; R85-R89 PolarHBondContact O-N 2.92Å; Q86-R89 PolarHBondContact O-N 2.8Å; R89-I92 PolarHBondContact O-N 2.85Å; R89-L93 WeakPolarHBondContact O-CB 3.28Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 2.87Å
90K80.5Confident71.2Confident143 Ų14389.9 Ų89.962%0.62243%0.427SS*.Hα-helixtrans-65.4-39.4-179.9-171.4175.1-177.2177.60111.4Q86 L87 V88 R94Q86-K90 WeakPolarHBondContact O-CB 3.47Å; Q86-K90 PolarHBondContact O-N 3.41Å; L87-K90 PolarHBondContact O-N 3.37Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 2.85Å; K90-R94 WeakPolarHBondContact O-CB 3.42Å; K90-R94 PolarHBondContact O-N 2.98Å
91M72Confident69.6Low137 Ų13791.7 Ų91.768%0.67544%0.441SS*.Hα-helixtrans-65.1-44.9173.9-70.7-135.2-67.600111.6L87 V88 L93 R94 T95L87-M91 WeakPolarHBondContact O-CB 3.35Å; L87-M91 WeakPolarHBondContact O-CG 3.45Å; L87-M91 PolarHBondContact O-N 3.05Å; V88-M91 PolarHBondContact O-N 3.09Å; M91-L93 PolarHBondContact O-N 3.06Å; M91-R94 PolarHBondContact O-N 3.39Å; M91-T95 PolarHBondContact O-N 2.88Å; M91-T95 PolarHBondContact O-OG1 2.94Å
92I74.9Confident68.2Low38 Ų3895 Ų9520%0.19547%0.466CS..Hα-helixtrans-58.4-47.8175.8-66.9164.8000110.8V88 R89 S96 F181V88-I92 HydrophobicContact CG1-CD1 3.76Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.3Å; V88-I92 PolarHBondContact O-N 2.84Å; R89-I92 PolarHBondContact O-N 2.85Å; I92-S96 PolarHBondContact O-N 3.09Å; I92-S96 VanDerWaalsContact O-N 3.11Å; I92-F181 HydrophobicContact CG1-CD2 4.31Å
93L73.1Confident66.7Low106 Ų10694 Ų9456%0.55547%0.472SS*.Hα-helixtrans-67.6-42.6-178.5-73169.8000113R89 M91 T95 S96 E97R89-L93 WeakPolarHBondContact O-CB 3.28Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 2.87Å; M91-L93 PolarHBondContact O-N 3.06Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 3.38Å; L93-S96 WeakPolarHBondContact CA-OG 3.28Å; L93-S96 WeakPolarHBondContact O-CB 3.31Å; L93-S96 PolarHBondContact O-N 2.93Å; L93-S96 VanDerWaalsContact O-N 3.07Å; L93-S96 PolarHBondContact O-OG 2.9Å; L93-E97 PolarHBondContact O-N 3.45Å
94R66.4Low64.7Low154 Ų15497.2 Ų97.258%0.58149%0.487SS*.Hα-helixtrans-62.6-39.5179.9-133.6177.384.1-177.27.6111.9K90 M91 S96 E97 E98K90-R94 WeakPolarHBondContact O-CB 3.42Å; K90-R94 PolarHBondContact O-N 2.98Å; M91-R94 PolarHBondContact O-N 3.39Å; R94-S96 VanDerWaalsContact C-N 3.33Å; R94-E97 PolarHBondContact O-N 2.95Å; R94-E98 IonicContact NE-OE1 3.78Å; R94-E98 IonicContact NH2-OE1 3.99Å; R94-E98 WeakPolarHBondContact O-CG 3.27Å; R94-E98 PolarHBondContact O-N 2.88Å
95T56.3Low62.8Low32 Ų32102.5 Ų102.520%0.19651%0.51CS..Hα-helixtrans-69.2-32174.9-54.30000111.9M91 L93 T99 F181M91-T95 PolarHBondContact O-N 2.88Å; M91-T95 PolarHBondContact O-OG1 2.94Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 3.38Å; T95-T99 WeakPolarHBondContact O-CB 3.33Å; T95-T99 PolarHBondContact O-N 2.98Å; T95-T99 PolarHBondContact O-OG1 2.65Å; T95-F181 HydrophobicContact CG2-CE2 4.25Å; T95-F181 HydrophobicContact CG2-CZ 4.15Å
96S58.8Low61.1Low48 Ų48106.7 Ų106.734%0.33653%0.531SS..Hα-helixtrans-64.8-42.4173.477.70000112.3I92 L93 R94 T99 I100I92-S96 PolarHBondContact O-N 3.09Å; I92-S96 VanDerWaalsContact O-N 3.11Å; L93-S96 WeakPolarHBondContact CA-OG 3.28Å; L93-S96 WeakPolarHBondContact O-CB 3.31Å; L93-S96 PolarHBondContact O-N 2.93Å; L93-S96 VanDerWaalsContact O-N 3.07Å; L93-S96 PolarHBondContact O-OG 2.9Å; R94-S96 VanDerWaalsContact C-N 3.33Å; S96-T99 PolarHBondContact O-N 3.43Å; S96-I100 VanDerWaalsContact O-CG1 3.28Å; S96-I100 WeakPolarHBondContact O-CG1 3.39Å; S96-I100 PolarHBondContact O-N 2.91Å
97E58.9Low59Low134 Ų134112.7 Ų112.763%0.62656%0.559SS**Hα-helixtrans-67.7-39.7176.1-73.1177.6167.600112.6L93 R94 T99 I100 S101L93-E97 PolarHBondContact O-N 3.45Å; R94-E97 PolarHBondContact O-N 2.95Å; E97-T99 PolarHBondContact O-N 3.03Å; E97-I100 PolarHBondContact O-N 2.88Å; E97-S101 PolarHBondContact O-N 2.87Å; E97-S101 VanDerWaalsContact O-N 3.16Å; E97-S101 PolarHBondContact O-OG 2.89Å
98E56.4Low56.8Low105 Ų105116.1 Ų116.149%0.49157%0.572SS.*Hα-helixtrans-63.9-28.2172.2-73.2171.8-171.500112.2R94 S101 T102R94-E98 IonicContact NE-OE1 3.78Å; R94-E98 IonicContact NH2-OE1 3.99Å; R94-E98 WeakPolarHBondContact O-CG 3.27Å; R94-E98 PolarHBondContact O-N 2.88Å; E98-S101 PolarHBondContact O-OG 3.02Å; E98-T102 PolarHBondContact O-OG1 2.96Å
99T48.8Very low54.6Low39 Ų39119.8 Ų119.824%0.23959%0.589CS.*Hα-helixtrans-81.2-32.1175.8-50.80000112.5T95 S96 E97 T102 V103 K179T95-T99 WeakPolarHBondContact O-CB 3.33Å; T95-T99 PolarHBondContact O-N 2.98Å; T95-T99 PolarHBondContact O-OG1 2.65Å; S96-T99 PolarHBondContact O-N 3.43Å; E97-T99 PolarHBondContact O-N 3.03Å; T99-T102 PolarHBondContact O-OG1 2.72Å; T99-T102 VanDerWaalsContact O-OG1 3.11Å; T99-V103 VanDerWaalsContact O-CG2 3.27Å; T99-V103 WeakPolarHBondContact O-CG2 3.21Å; T99-K179 HydrophobicContact CG2-CD 4.15Å; T99-K179 PolarHBondContact OG1-NZ 3.37Å
100I54Low52.3Low108 Ų108121.5 Ų121.555%0.55461%0.613SS**Hα-helixtrans-74.1-38.9179.7-68.3162.2000111.3S96 E97 T102 V103S96-I100 VanDerWaalsContact O-CG1 3.28Å; S96-I100 WeakPolarHBondContact O-CG1 3.39Å; S96-I100 PolarHBondContact O-N 2.91Å; E97-I100 PolarHBondContact O-N 2.88Å; I100-T102 PolarHBondContact O-N 2.65Å; I100-V103 PolarHBondContact O-N 2.82Å
101S44.8Very low50.1Low85 Ų85120 Ų12059%0.59462%0.62SS**THydrogen-bonded Turntrans-65.3-19.7178.746.80000114.1E97 E98E97-S101 PolarHBondContact O-N 2.87Å; E97-S101 VanDerWaalsContact O-N 3.16Å; E97-S101 PolarHBondContact O-OG 2.89Å; E98-S101 PolarHBondContact O-OG 3.02Å
102T45.9Very low48.7Very low114 Ų114119.2 Ų119.270%0.69963%0.625SS**THydrogen-bonded Turntrans-94.6-8.7176.645.90000114.1E98 T99 I100E98-T102 PolarHBondContact O-OG1 2.96Å; T99-T102 PolarHBondContact O-OG1 2.72Å; T99-T102 VanDerWaalsContact O-OG1 3.11Å; I100-T102 PolarHBondContact O-N 2.65Å
103V47.4Very low47.2Very low97 Ų97125.6 Ų125.659%0.58866%0.659SS**THydrogen-bonded Turntrans-103.1-13.8-176.61750000112.8T99 I100 E105 K106T99-V103 VanDerWaalsContact O-CG2 3.27Å; T99-V103 WeakPolarHBondContact O-CG2 3.21Å; I100-V103 PolarHBondContact O-N 2.82Å; V103-E105 PolarHBondContact O-N 2.98Å; V103-K106 PolarHBondContact O-N 3.47Å
104Q37.3Very low45.5Very low171 Ų171127 Ų12780%0.79967%0.671SS**THydrogen-bonded Turntrans-68.7-3-171.4-131.7174.98.800115.7
105E42.2Very low44.1Very low195 Ų195130.5 Ų130.591%0.91169%0.685SS**THydrogen-bonded Turntrans-95.6-4.1178.6-105.3-172.9172.800115.9V103V103-E105 PolarHBondContact O-N 2.98Å
106K43.5Very low43.2Very low186 Ų186138.5 Ų138.581%0.80972%0.72SS**SBendtrans-140.1104.2172.6-108.1178.6177.7176.30110.6V103V103-K106 PolarHBondContact O-N 3.47Å
107Q35.6Very low42.6Very low193 Ų193145.8 Ų145.890%0.90274%0.74SS**  156.6102.5112.8-161.4152.59.300110.3
108Q36.8Very low42.3Very low179 Ų179141.9 Ų141.984%0.83674%0.736SS**  trans-81.7138.1163.6-81.6179.1-15.300110.3
109N32.7Very low42.5Very low139 Ų139143 Ų14374%0.74375%0.752SS**  trans64.4105.1152.6-62.5-11.7000120
110T33.1Very low43.8Very low149 Ų149146.2 Ų146.291%0.91476%0.764SS**  175.2134.599.321.60000110.5
111S33.1Very low45.6Very low110 Ų110151 Ų15177%0.76978%0.776SS**  trans-102153.2166.350.40000109.4
112P42.8Very low48Very low122 Ų122147.5 Ų147.579%0.79275%0.75SS**  -143.514895.432-13.5000116.1
113L42.6Very low50.4Low171 Ų171143 Ų14390%0.89573%0.725SS**  trans63.175.4150.2-143.383.8000118.3
114V37.4Very low52.8Low136 Ų136138.4 Ų138.482%0.82470%0.697SS**  trans-88.8108.5162.8178.50000108.8E116V114-E116 PolarHBondContact O-N 3.38Å
115R37.3Very low55.7Low228 Ų228132 Ų13286%0.8667%0.667SS**  trans-49.2117.6162.6-161.2177.3-163.2178.84.1107.6R117R115-R117 VanDerWaalsContact C-N 3.31Å; R115-R117 PolarHBondContact O-N 3.23Å
116E39Very low58.3Low199 Ų199122.8 Ų122.893%0.9362%0.624SS**  trans-52.194.1178.3-76.1-173.8155.500109.9V114V114-E116 PolarHBondContact O-N 3.38Å
117R46.2Very low60.8Low201 Ų201114.1 Ų114.176%0.75859%0.587SS**PPolyproline II helixtrans-79.9119166.3-132.5177.4-87.4-1370.3103.4R115R115-R117 VanDerWaalsContact C-N 3.31Å; R115-R117 PolarHBondContact O-N 3.23Å
118G51.5Low63.5Low52 Ų52105.1 Ų105.154%0.53655%0.545SS..PPolyproline II helixtrans-49.5163.6172.600000111.3Q120G118-Q120 PolarHBondContact O-N 3.48Å
119P59.8Low65.9Low128 Ų12897.7 Ų97.783%0.83151%0.512SS*.PPolyproline II helixtrans-46.3116.5-168.716.7-30.5000111R121P119-R121 PolarHBondContact O-N 2.95Å
120Q77.9Confident67.9Low108 Ų108100.9 Ų100.951%0.50551%0.514SS..  trans-69.6108.5-173.1-126.7168.9-61.500107.8G118 V122 N166G118-Q120 PolarHBondContact O-N 3.48Å; Q120-V122 WeakPolarHBondContact O-CG2 3.1Å; Q120-V122 PolarHBondContact O-N 3.46Å; Q120-N166 WeakPolarHBondContact CB-ND2 3.29Å; Q120-N166 WeakPolarHBondContact CG-ND2 3.42Å; Q120-N166 PolarHBondContact NE2-OD1 3.15Å
121R90.5Very high69.2Low209 Ų20997.6 Ų97.679%0.78951%0.51SS*.  trans-67123.7-177.6-65.3-177.9178.3-171.4-1.6109.5P119 S165 N166P119-R121 PolarHBondContact O-N 2.95Å; R121-S165 CarbonylContact O-C 3.54Å; R121-S165 WeakPolarHBondContact O-CB 3.49Å; R121-S165 PolarHBondContact O-OG 2.95Å; R121-N166 PolarHBondContact O-ND2 3.48Å; R121-N166 VanDerWaalsContact O-ND2 3.08Å
122V96Very high70.3Confident11 Ų11100.2 Ų100.27%0.06750%0.503CS..  trans-108.295178.4-172.70000108.6Q120 S165 N166 L167 E178 Y182 F278 L279Q120-V122 WeakPolarHBondContact O-CG2 3.1Å; Q120-V122 PolarHBondContact O-N 3.46Å; V122-S165 WeakPolarHBondContact CA-O 3.42Å; V122-N166 HydrophobicContact CB-CB 4.36Å; V122-N166 HydrophobicContact CG1-CB 4.21Å; V122-N166 HydrophobicContact CG2-CB 3.97Å; V122-L167 HydrophobicContact CG1-CD1 3.57Å; V122-E178 VanDerWaalsContact CG2-CD 3.49Å; V122-E178 HydrophobicContact CG2-CG 4.44Å; V122-E178 WeakPolarHBondContact CG2-OE1 3.38Å; V122-E178 WeakPolarHBondContact CG2-OE2 3.41Å; V122-Y182 HydrophobicContact CG1-CE1 3.78Å; V122-Y182 WeakPolarHBondContact CG1-OH 3.32Å; V122-F278 WeakPolarHBondContact O-CA 3.49Å; V122-L279 HydrophobicContact CB-CB 3.72Å; V122-L279 HydrophobicContact CB-CD2 4.04Å; V122-L279 HydrophobicContact CG1-CB 4.04Å; V122-L279 HydrophobicContact CG1-CD2 4.5Å; V122-L279 HydrophobicContact CG2-CD2 3.95Å; V122-L279 PolarHBondContact O-N 3.37Å
123A96.7Very high70.7Confident19 Ų19100 Ų10016%0.15750%0.504CS..EExtended strand (participates in β ladder)trans-158.6152.3-17700000112.3F163 S165 A277 F278A123-F163 HydrophobicContact CB-CE2 3.92Å; A123-F163 HydrophobicContact CB-CZ 4.23Å; A123-F163 WeakPolarHBondContact O-CE2 3.47Å; A123-S165 PolarHBondContact N-O 2.94Å; A123-S165 WeakPolarHBondContact O-CA 3.27Å; A123-S165 WeakPolarHBondContact O-CB 3.37Å; A123-S165 PolarHBondContact O-N 3.07Å; A123-S165 VanDerWaalsContact O-O 3.12Å; A123-A277 CarbonylContact C-O 3.56Å; A123-A277 VanDerWaalsContact CA-O 3.28Å; A123-A277 WeakPolarHBondContact CA-O 3.37Å; A123-F278 HydrophobicContact CB-CB 3.7Å
124A96.9Very high71.1Confident1 Ų194.9 Ų94.91%0.00848%0.477CS..EExtended strand (participates in β ladder)trans-141.9141.7176.100000110.5F163 L164 L167 L174 G276 A277A124-F163 WeakPolarHBondContact CA-O 3.45Å; A124-L164 HydrophobicContact CB-CD2 3.68Å; A124-L167 HydrophobicContact CB-CB 4.23Å; A124-L167 HydrophobicContact CB-CD1 4.43Å; A124-L167 HydrophobicContact CB-CD2 4.07Å; A124-L167 HydrophobicContact CB-CG 4.5Å; A124-L174 HydrophobicContact CB-CD1 4.05Å; A124-L174 HydrophobicContact CB-CD2 3.82Å; A124-G276 CarbonylContact O-C 3.53Å; A124-G276 WeakPolarHBondContact O-CA 3.27Å; A124-A277 PolarHBondContact N-O 3.15Å; A124-A277 PolarHBondContact O-N 3.37Å
125H97.4Very high71.4Confident37 Ų3790.5 Ų90.517%0.17145%0.451CS..EExtended strand (participates in β ladder)trans-138.9116.8164.5-17695.7000107.4T127 H161 S162 F163 Y185 F274H125-T127 WeakPolarHBondContact NE2-CG2 3.19Å; H125-H161 PolarHBondContact CD2-O 3.34Å; H125-S162 CarbonylContact O-C 3.59Å; H125-S162 WeakPolarHBondContact O-CA 3.48Å; H125-S162 WeakPolarHBondContact O-CB 3.47Å; H125-F163 HydrophobicContact CB-CD1 3.99Å; H125-F163 HydrophobicContact CB-CE1 3.62Å; H125-F163 HydrophobicContact CB-CZ 4.29Å; H125-F163 PolarHBondContact N-O 3.47Å; H125-F163 PolarHBondContact O-N 3.36Å; H125-Y185 AromaticContact ND1-CE2 3.75Å; H125-Y185 AromaticContact ND1-CZ 3.77Å; H125-Y185 PolarHBondContact ND1-OH 2.9Å; H125-F274 AromaticContact CE1-CD2 3.61Å; H125-F274 AromaticContact CE1-CG 3.68Å; H125-F274 AromaticContact NE2-CG 3.96Å
126I96.9Very high71.7Confident0 Ų086.6 Ų86.60%045%0.446CS..EExtended strand (participates in β ladder)trans-122.2141.5-179.461.4178.2000108.9W154 E155 L164 L169 L174 F274 F275I126-W154 HydrophobicContact CB-CB 4.27Å; I126-W154 HydrophobicContact CD1-CB 3.54Å; I126-W154 HydrophobicContact CD1-CD2 4.36Å; I126-W154 HydrophobicContact CD1-CG 3.66Å; I126-W154 HydrophobicContact CG1-CB 4Å; I126-W154 HydrophobicContact CG1-CD2 4.44Å; I126-W154 HydrophobicContact CG1-CG 4.14Å; I126-E155 VanDerWaalsContact CB-O 3.23Å; I126-E155 WeakPolarHBondContact CB-O 3.26Å; I126-E155 WeakPolarHBondContact CG2-O 3.22Å; I126-L164 HydrophobicContact CG2-CD2 3.93Å; I126-L164 HydrophobicContact CG2-CG 4.32Å; I126-L169 HydrophobicContact CD1-CD1 3.51Å; I126-L169 HydrophobicContact CD1-CD2 4.19Å; I126-L169 HydrophobicContact CD1-CG 4.41Å; I126-L174 HydrophobicContact CD1-CD2 4.04Å; I126-L174 HydrophobicContact CD1-CG 4.12Å; I126-L174 HydrophobicContact CG2-CD2 4.45Å; I126-F274 CarbonylContact O-C 3.45Å; I126-F274 VanDerWaalsContact O-CA 3.28Å; I126-F274 WeakPolarHBondContact O-CA 3.33Å; I126-F274 WeakPolarHBondContact O-CB 3.39Å; I126-F275 HydrophobicContact CD1-CB 4.39Å; I126-F275 HydrophobicContact CD1-CD1 3.99Å; I126-F275 HydrophobicContact CG1-CB 3.95Å; I126-F275 HydrophobicContact CG1-CD1 4.38Å; I126-F275 VanDerWaalsContact CG1-O 3.26Å; I126-F275 WeakPolarHBondContact CG1-O 3.44Å; I126-F275 PolarHBondContact N-O 3.43Å; I126-F275 PolarHBondContact O-N 2.95Å
127T96.1Very high71.8Confident5 Ų581.8 Ų81.83%0.03144%0.435CS..EExtended strand (participates in β ladder)trans-119.4164.8-170.857.90000110.9H125 W154 E155 H161 H270 F274H125-T127 WeakPolarHBondContact NE2-CG2 3.19Å; T127-W154 CarbonylContact O-C 3.45Å; T127-W154 WeakPolarHBondContact O-CA 3.36Å; T127-E155 PolarHBondContact O-N 3.4Å; T127-H161 HydrophobicContact CG2-CB 4.47Å; T127-H161 WeakPolarHBondContact CG2-O 3.35Å; T127-H270 WeakPolarHBondContact CB-O 3.44Å; T127-H270 HydrophobicContact CG2-CB 4.32Å; T127-H270 VanDerWaalsContact CG2-O 3.3Å; T127-H270 WeakPolarHBondContact CG2-O 3.33Å; T127-F274 HydrophobicContact CG2-CB 4.13Å
128G92.9Very high71.7Confident3 Ų376.3 Ų76.33%0.03143%0.428CS..EExtended strand (participates in β ladder)trans-64.9155.8172.100000112.9M268 S273G128-M268 CarbonylContact C-O 3.52Å; G128-M268 VanDerWaalsContact CA-CE 3.46Å; G128-M268 WeakPolarHBondContact CA-O 3.43Å; G128-S273 PolarHBondContact N-O 2.96Å
129T86.4Confident71.3Confident24 Ų2479.3 Ų79.315%0.14744%0.437CS..  trans-107.4113.3175.348.20000111.2G131 S153 E155 M268T129-G131 PolarHBondContact O-N 2.89Å; T129-S153 PolarHBondContact OG1-O 3.28Å; T129-E155 HydrophobicContact CG2-CB 3.52Å; T129-E155 HydrophobicContact CG2-CG 4.14Å; T129-E155 WeakPolarHBondContact CG2-OE2 3.25Å; T129-M268 PolarHBondContact N-O 3.47Å
130R74.4Confident70.7Confident205 Ų20579 Ų7977%0.77443%0.429SS*.THydrogen-bonded Turntrans-69.8125.6173.6-163.6179.5-164.8-154.8-6.1110.1D269R130-D269 WeakPolarHBondContact CD-OD1 3.39Å; R130-D269 WeakPolarHBondContact CG-OD1 3.41Å; R130-D269 IonicContact NE-OD1 3.93Å; R130-D269 PolarHBondContact NE-OD1 3.41Å; R130-D269 VanDerWaalsContact NE-OD1 3.15Å; R130-D269 IonicContact NE-OD2 2.82Å
131G62.2Low69.2Low80 Ų8077.4 Ų77.483%0.82543%0.43SS*.THydrogen-bonded Turntrans91.9-6.4171.600000116.6T129 S133T129-G131 PolarHBondContact O-N 2.89Å; G131-S133 PolarHBondContact O-N 3.33Å
132R55.6Low67.2Low166 Ų16677.2 Ų77.263%0.62643%0.434SS*.  trans-95.380.1166.6-118.6177.9163.5-162.4-7.8108.5N134 T135R132-N134 PolarHBondContact O-N 2.92Å; R132-N134 VanDerWaalsContact O-N 3.1Å; R132-T135 HydrophobicContact CB-CG2 4.01Å; R132-T135 HydrophobicContact CG-CG2 3.39Å; R132-T135 VanDerWaalsContact CZ-CG2 3.49Å
133S50.2Low65.1Low116 Ų11683.4 Ų83.481%0.81147%0.467SS*.  trans-49.6121.6166.7-175.40000108.2G131 T135G131-S133 PolarHBondContact O-N 3.33Å; S133-T135 PolarHBondContact O-N 3.3Å
134N51Low63.6Low64 Ų6485 Ų8534%0.34247%0.471SS..  trans6.684.9179.8-76.80.5000114R132 L136 E263R132-N134 PolarHBondContact O-N 2.92Å; R132-N134 VanDerWaalsContact O-N 3.1Å; N134-L136 PolarHBondContact O-N 3.31Å; N134-E263 PolarHBondContact ND2-OE1 3.02Å; N134-E263 PolarHBondContact OD1-OE1 2.85Å
135T44.8Very low63.2Low45 Ų4591.6 Ų91.628%0.27650%0.5SS..SBendtrans-59103.9175.445.10000109.3R132 S133R132-T135 HydrophobicContact CB-CG2 4.01Å; R132-T135 HydrophobicContact CG-CG2 3.39Å; R132-T135 VanDerWaalsContact CZ-CG2 3.49Å; S133-T135 PolarHBondContact O-N 3.3Å
136L43.1Very low63Low145 Ų14590.7 Ų90.776%0.75950%0.499SS*.  trans48.9102.4-177.6-8278.1000112N134 S138N134-L136 PolarHBondContact O-N 3.31Å; L136-S138 PolarHBondContact O-N 3.49Å
137S41.8Very low62.9Low98 Ų9895.3 Ų95.369%0.68552%0.523SS*.  trans-5681.6144.613.80000107.4
138S44.2Very low62.9Low87 Ų8797 Ų9761%0.60854%0.541SS*.  trans-53.5124.7161.7-166.70000104.4L136 N140L136-S138 PolarHBondContact O-N 3.49Å; S138-N140 PolarHBondContact O-N 3.26Å
139P42.8Very low63Low114 Ų114103.4 Ų103.474%0.7456%0.564SS**  trans-51.9118-169.714.1-23.6000107.2S141P139-S141 PolarHBondContact O-N 3.36Å
140N47.8Very low63.5Low122 Ų122104.3 Ų104.365%0.65257%0.566SS**  trans-36.7118.7174.6-87.7-2.6000106.6S138 K142S138-N140 PolarHBondContact O-N 3.26Å; N140-K142 VanDerWaalsContact C-N 3.34Å; N140-K142 PolarHBondContact O-N 3.47Å
141S46.7Very low64.5Low75 Ų7594.8 Ų94.852%0.52453%0.531SS..  trans-55.9114.6165.2830000103.7P139 N143 E144P139-S141 PolarHBondContact O-N 3.36Å; S141-N143 PolarHBondContact O-N 2.95Å; S141-E144 PolarHBondContact O-N 2.89Å
142K47.3Very low66Low204 Ų20493.3 Ų93.389%0.88750%0.504SS*.THydrogen-bonded Turntrans-63.39-167.1-70.3-179.4175.2-179.80113.4N140N140-K142 VanDerWaalsContact C-N 3.34Å; N140-K142 PolarHBondContact O-N 3.47Å
143N51.6Low67.7Low141 Ų14185.8 Ų85.875%0.75448%0.477SS*.THydrogen-bonded Turntrans-126.98.9-172.1-61.9-17.7000113.4S141 K145S141-N143 PolarHBondContact O-N 2.95Å; N143-K145 PolarHBondContact O-N 3.3Å; N143-K145 VanDerWaalsContact O-N 3.12Å
144E66.5Low69.8Low52 Ų5280.9 Ų80.924%0.24344%0.44CS..  trans-72.9104.9179.8-164163-164.700110.1S141 A146 K150S141-E144 PolarHBondContact O-N 2.89Å; E144-A146 HydrophobicContact CG-CB 4.22Å; E144-A146 PolarHBondContact O-N 3.24Å; E144-A146 VanDerWaalsContact O-N 3.16Å; E144-K150 IonicContact OE1-NZ 3.66Å; E144-K150 PolarHBondContact OE1-NZ 3.41Å; E144-K150 VanDerWaalsContact OE1-NZ 3.07Å; E144-K150 IonicContact OE2-NZ 3.47Å
145K87.7Confident71.7Confident141 Ų14180 Ų8061%0.61343%0.434SS*.  trans-72.53.8-178.8-61.9-171.2-168.6163.60114.6N143 D218N143-K145 PolarHBondContact O-N 3.3Å; N143-K145 VanDerWaalsContact O-N 3.12Å; K145-D218 HydrophobicContact CD-CB 4.29Å; K145-D218 VanDerWaalsContact CD-OD1 3.27Å; K145-D218 WeakPolarHBondContact CD-OD1 3.38Å; K145-D218 WeakPolarHBondContact CE-OD1 3.29Å; K145-D218 IonicContact NZ-OD1 2.72Å; K145-D218 PolarHBondContact NZ-OD1 2.97Å; K145-D218 VanDerWaalsContact NZ-OD1 3.12Å; K145-D218 IonicContact NZ-OD2 2.76Å; K145-D218 PolarHBondContact NZ-OD2 3.41Å
146A93.3Very high73.1Confident17 Ų1780.3 Ų80.314%0.1444%0.438CS..  trans-70.3142.1177.800000110.7E144 Y211 P219 F257E144-A146 HydrophobicContact CG-CB 4.22Å; E144-A146 PolarHBondContact O-N 3.24Å; E144-A146 VanDerWaalsContact O-N 3.16Å; A146-Y211 HydrophobicContact CB-CD1 4.39Å; A146-Y211 HydrophobicContact CB-CD2 4.18Å; A146-Y211 HydrophobicContact CB-CE1 4.13Å; A146-Y211 HydrophobicContact CB-CE2 3.89Å; A146-Y211 HydrophobicContact CB-CG 4.42Å; A146-P219 HydrophobicContact CB-CB 4.41Å; A146-P219 HydrophobicContact CB-CG 3.81Å; A146-F257 HydrophobicContact CB-CE2 4.26Å; A146-F257 HydrophobicContact CB-CZ 4.15Å
147L95.7Very high74.7Confident97 Ų9776.6 Ų76.651%0.50842%0.424SS..SBendtrans-77.5148.4173.9-62.8174.7000110.2Y209 Y211 S259L147-Y209 HydrophobicContact CB-CD1 4.47Å; L147-Y209 HydrophobicContact CB-CD2 4.37Å; L147-Y209 HydrophobicContact CB-CE1 4.05Å; L147-Y209 HydrophobicContact CB-CE2 3.93Å; L147-Y209 HydrophobicContact CD1-CE1 3.91Å; L147-Y211 WeakPolarHBondContact CB-OH 3.3Å; L147-Y211 PolarHBondContact N-OH 3.46Å; L147-S259 WeakPolarHBondContact O-CB 3.2Å; L147-S259 PolarHBondContact O-OG 3.45Å
148G94.6Very high75.9Confident40 Ų4083.2 Ų83.241%0.41243%0.434SS..SBendtrans76-160.5-178.100000112.9V260G148-V260 CarbonylContact C-O 3.49Å; G148-V260 WeakPolarHBondContact CA-O 3.38Å
149R95.8Very high76.9Confident138 Ų13881.5 Ų81.552%0.52142%0.422SS..EExtended strand (participates in β ladder)trans-119.9128.6175.7-6717754.4145.5-4.7109.5I151 S259 V260 E263R149-I151 PolarHBondContact O-N 3.43Å; R149-S259 PolarHBondContact N-OG 2.95Å; R149-S259 VanDerWaalsContact N-OG 3.08Å; R149-S259 VanDerWaalsContact O-CA 3.32Å; R149-S259 WeakPolarHBondContact O-CA 3.48Å; R149-S259 PolarHBondContact O-OG 3.48Å; R149-V260 PolarHBondContact N-O 3.39Å; R149-V260 PolarHBondContact O-N 3.2Å; R149-E263 HydrophobicContact CB-CB 4.3Å; R149-E263 WeakPolarHBondContact CB-OE2 3.28Å; R149-E263 WeakPolarHBondContact CD-OE2 3.47Å; R149-E263 IonicContact CZ-OE2 3.28Å; R149-E263 VanDerWaalsContact CZ-OE2 3.28Å; R149-E263 IonicContact NE-OE2 3.07Å; R149-E263 PolarHBondContact NE-OE2 3.04Å; R149-E263 IonicContact NH2-OE2 3.18Å; R149-E263 PolarHBondContact NH2-OE2 2.92Å
150K96.5Very high78.4Confident44 Ų4480 Ų8019%0.19143%0.428CS..EExtended strand (participates in β ladder)trans-64.5128.5178.9177.4166.368.4-160.80110.5E144 N152 E173 F257 V258 S259E144-K150 IonicContact OE1-NZ 3.66Å; E144-K150 PolarHBondContact OE1-NZ 3.41Å; E144-K150 VanDerWaalsContact OE1-NZ 3.07Å; E144-K150 IonicContact OE2-NZ 3.47Å; K150-N152 PolarHBondContact O-N 2.79Å; K150-E173 HydrophobicContact CD-CG 4.37Å; K150-E173 IonicContact NZ-OE1 3.21Å; K150-E173 PolarHBondContact NZ-OE1 3.44Å; K150-F257 HydrophobicContact CB-CD2 4.16Å; K150-F257 HydrophobicContact CB-CE2 4.33Å; K150-F257 HydrophobicContact CD-CB 3.99Å; K150-F257 HydrophobicContact CD-CD1 4.43Å; K150-F257 HydrophobicContact CD-CD2 3.43Å; K150-F257 VanDerWaalsContact CD-CD2 3.43Å; K150-F257 HydrophobicContact CD-CE2 3.92Å; K150-F257 HydrophobicContact CD-CG 3.71Å; K150-F257 HydrophobicContact CG-CB 4.35Å; K150-F257 HydrophobicContact CG-CD2 3.64Å; K150-F257 HydrophobicContact CG-CE2 4.24Å; K150-F257 HydrophobicContact CG-CG 4.25Å; K150-V258 WeakPolarHBondContact CA-O 3.28Å; K150-S259 PolarHBondContact N-OG 3.2Å
151I95.5Very high80.1Confident4 Ų479.8 Ų79.82%0.02142%0.423CS..  trans-78.6120.5172.6-57.8176.4000108.2R149 W154 T188 V258 V260 M268R149-I151 PolarHBondContact O-N 3.43Å; I151-W154 HydrophobicContact CB-CZ2 3.75Å; I151-W154 HydrophobicContact CD1-CH2 4.11Å; I151-W154 HydrophobicContact CD1-CZ2 3.82Å; I151-W154 HydrophobicContact CG1-CZ2 4.38Å; I151-W154 HydrophobicContact CG2-CD2 4.03Å; I151-W154 VanDerWaalsContact CG2-CE2 3.46Å; I151-W154 HydrophobicContact CG2-CH2 4.07Å; I151-W154 HydrophobicContact CG2-CZ2 3.5Å; I151-W154 VanDerWaalsContact CG2-CZ2 3.5Å; I151-W154 PolarHBondContact O-NE1 2.92Å; I151-T188 HydrophobicContact CD1-CG2 3.84Å; I151-V258 HydrophobicContact CD1-CG1 4.08Å; I151-V258 PolarHBondContact N-O 3.33Å; I151-V260 HydrophobicContact CD1-CG1 3.84Å; I151-V260 HydrophobicContact CD1-CG2 4.06Å; I151-V260 HydrophobicContact CG1-CG1 4.49Å; I151-V260 HydrophobicContact CG1-CG2 4.02Å; I151-M268 HydrophobicContact CG2-CE 3.68Å; I151-M268 HydrophobicContact CG2-SD 4.29Å
152N93.8Very high82.3Confident49 Ų4976.4 Ų76.426%0.26240%0.399SS..  trans-119-1.1-176.76418.2000114.5K150 W154K150-N152 PolarHBondContact O-N 2.79Å; N152-W154 VanDerWaalsContact C-N 3.35Å; N152-W154 PolarHBondContact O-N 3.29Å
153S92.1Very high84.5Confident8 Ų871 Ų716%0.05638%0.376CS..  trans-95.125.5-175.549.50000113.9T129 M268T129-S153 PolarHBondContact OG1-O 3.28Å; S153-M268 WeakPolarHBondContact OG-CE 3.45Å
154W94.2Very high86.6Confident13 Ų1366.8 Ų66.85%0.04935%0.353CS..EExtended strand (participates in β ladder)trans-69.1137.1175.4-57119.6000111.7I126 T127 I151 N152 L169 V258 M268 F275I126-W154 HydrophobicContact CB-CB 4.27Å; I126-W154 HydrophobicContact CD1-CB 3.54Å; I126-W154 HydrophobicContact CD1-CD2 4.36Å; I126-W154 HydrophobicContact CD1-CG 3.66Å; I126-W154 HydrophobicContact CG1-CB 4Å; I126-W154 HydrophobicContact CG1-CD2 4.44Å; I126-W154 HydrophobicContact CG1-CG 4.14Å; T127-W154 CarbonylContact O-C 3.45Å; T127-W154 WeakPolarHBondContact O-CA 3.36Å; I151-W154 HydrophobicContact CB-CZ2 3.75Å; I151-W154 HydrophobicContact CD1-CH2 4.11Å; I151-W154 HydrophobicContact CD1-CZ2 3.82Å; I151-W154 HydrophobicContact CG1-CZ2 4.38Å; I151-W154 HydrophobicContact CG2-CD2 4.03Å; I151-W154 VanDerWaalsContact CG2-CE2 3.46Å; I151-W154 HydrophobicContact CG2-CH2 4.07Å; I151-W154 HydrophobicContact CG2-CZ2 3.5Å; I151-W154 VanDerWaalsContact CG2-CZ2 3.5Å; I151-W154 PolarHBondContact O-NE1 2.92Å; N152-W154 VanDerWaalsContact C-N 3.35Å; N152-W154 PolarHBondContact O-N 3.29Å; W154-L169 HydrophobicContact CB-CD2 3.9Å; W154-L169 WeakPolarHBondContact O-CD2 2.94Å; W154-V258 HydrophobicContact CZ2-CB 4.08Å; W154-V258 HydrophobicContact CZ2-CG1 4.47Å; W154-V258 HydrophobicContact CZ2-CG2 4.21Å; W154-M268 HydrophobicContact CE3-CE 3.93Å; W154-M268 HydrophobicContact CH2-CE 4.39Å; W154-M268 HydrophobicContact CZ3-CE 3.85Å; W154-F275 HydrophobicContact CD2-CB 4.41Å; W154-F275 HydrophobicContact CH2-CB 4.31Å; W154-F275 HydrophobicContact CZ2-CB 4.04Å
155E89.4Confident87.9Confident46 Ų4666.2 Ų66.222%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-78.6134.2171.2-168.947-9500110.7I126 T127 T129 S157I126-E155 VanDerWaalsContact CB-O 3.23Å; I126-E155 WeakPolarHBondContact CB-O 3.26Å; I126-E155 WeakPolarHBondContact CG2-O 3.22Å; T127-E155 PolarHBondContact O-N 3.4Å; T129-E155 HydrophobicContact CG2-CB 3.52Å; T129-E155 HydrophobicContact CG2-CG 4.14Å; T129-E155 WeakPolarHBondContact CG2-OE2 3.25Å; E155-S157 WeakPolarHBondContact OE1-CA 3.45Å; E155-S157 WeakPolarHBondContact OE1-CB 3.47Å; E155-S157 PolarHBondContact OE1-N 3.16Å; E155-S157 PolarHBondContact OE1-OG 3.04Å
156S75.8Confident88.2Confident51 Ų5161.6 Ų61.636%0.35734%0.337SS..  trans-121.1-10.1175.349.70000113.4
157S75Confident88.3Confident67 Ų6761.3 Ų61.347%0.46933%0.333SS..SBendtrans-56.9145.6170.5-54.10000108.7E155 S159 S162E155-S157 WeakPolarHBondContact OE1-CA 3.45Å; E155-S157 WeakPolarHBondContact OE1-CB 3.47Å; E155-S157 PolarHBondContact OE1-N 3.16Å; E155-S157 PolarHBondContact OE1-OG 3.04Å; S157-S159 PolarHBondContact O-N 2.91Å; S157-S159 PolarHBondContact O-OG 3.5Å; S157-S162 PolarHBondContact O-OG 3.27Å
158R68.3Low88.3Confident237 Ų23760.3 Ų60.389%0.89433%0.325SS*.  trans-75.452.8176.6-152.8-178.9-168.7-163.22.9110.3
159S65.2Low88.3Confident51 Ų5160 Ų6036%0.35731%0.314SS..  trans-69.5141.6161.833.40000107.6S157 H161 S162S157-S159 PolarHBondContact O-N 2.91Å; S157-S159 PolarHBondContact O-OG 3.5Å; S159-H161 PolarHBondContact O-N 3.28Å; S159-S162 PolarHBondContact O-N 2.94Å; S159-S162 PolarHBondContact O-OG 3.18Å; S159-S162 PolarHBondContact OG-OG 3.46Å
160G72.9Confident88.2Confident84 Ų8460.8 Ų60.887%0.86632%0.317SS*.THydrogen-bonded Turntrans-53.4-7.9-166.500000118.1
161H84.5Confident88Confident116 Ų11664.3 Ų64.354%0.53734%0.338SS..THydrogen-bonded Turntrans-107.1-4.6178.2-53.2-70.3000114H125 T127 S159 H270H125-H161 PolarHBondContact CD2-O 3.34Å; T127-H161 HydrophobicContact CG2-CB 4.47Å; T127-H161 WeakPolarHBondContact CG2-O 3.35Å; S159-H161 PolarHBondContact O-N 3.28Å; H161-H270 AromaticContact CD2-CD2 3.49Å; H161-H270 PolarHBondContact CD2-CD2 3.49Å; H161-H270 VanDerWaalsContact CD2-CD2 3.49Å; H161-H270 AromaticContact CD2-NE2 3.35Å; H161-H270 PolarHBondContact CD2-NE2 3.01Å; H161-H270 VanDerWaalsContact CD2-NE2 3.35Å; H161-H270 AromaticContact CG-CD2 3.47Å; H161-H270 VanDerWaalsContact CG-CD2 3.47Å; H161-H270 AromaticContact CG-NE2 3.71Å; H161-H270 AromaticContact NE2-NE2 3.66Å
162S92.8Very high87.9Confident4 Ų464.2 Ų64.23%0.02834%0.338CS..  trans-135141.9-178.652.90000112H125 S157 S159H125-S162 CarbonylContact O-C 3.59Å; H125-S162 WeakPolarHBondContact O-CA 3.48Å; H125-S162 WeakPolarHBondContact O-CB 3.47Å; S157-S162 PolarHBondContact O-OG 3.27Å; S159-S162 PolarHBondContact O-N 2.94Å; S159-S162 PolarHBondContact O-OG 3.18Å; S159-S162 PolarHBondContact OG-OG 3.46Å
163F94Very high88.1Confident90 Ų9062.2 Ų62.240%0.39533%0.327SS..EExtended strand (participates in β ladder)trans-152.9156176.173.9-86.6000112.5A123 A124 H125A123-F163 HydrophobicContact CB-CE2 3.92Å; A123-F163 HydrophobicContact CB-CZ 4.23Å; A123-F163 WeakPolarHBondContact O-CE2 3.47Å; A124-F163 WeakPolarHBondContact CA-O 3.45Å; H125-F163 HydrophobicContact CB-CD1 3.99Å; H125-F163 HydrophobicContact CB-CE1 3.62Å; H125-F163 HydrophobicContact CB-CZ 4.29Å; H125-F163 PolarHBondContact N-O 3.47Å; H125-F163 PolarHBondContact O-N 3.36Å
164L94.8Very high88.4Confident54 Ų5461.8 Ų61.828%0.28332%0.324SS..EExtended strand (participates in β ladder)trans-129.5126.6172.3-69.2169000108.5A124 I126 L167 L169 L174A124-L164 HydrophobicContact CB-CD2 3.68Å; I126-L164 HydrophobicContact CG2-CD2 3.93Å; I126-L164 HydrophobicContact CG2-CG 4.32Å; L164-L167 HydrophobicContact CD2-CB 4.48Å; L164-L169 HydrophobicContact CD1-CB 4.08Å; L164-L174 HydrophobicContact CD2-CD2 3.58Å
165S94.4Very high88.6Confident40 Ų4061.6 Ų61.628%0.2833%0.325SS..EExtended strand (participates in β ladder)trans-135.3110.2177.4-171.40000109.2R121 V122 A123 L167R121-S165 CarbonylContact O-C 3.54Å; R121-S165 WeakPolarHBondContact O-CB 3.49Å; R121-S165 PolarHBondContact O-OG 2.95Å; V122-S165 WeakPolarHBondContact CA-O 3.42Å; A123-S165 PolarHBondContact N-O 2.94Å; A123-S165 WeakPolarHBondContact O-CA 3.27Å; A123-S165 WeakPolarHBondContact O-CB 3.37Å; A123-S165 PolarHBondContact O-N 3.07Å; A123-S165 VanDerWaalsContact O-O 3.12Å; S165-L167 VanDerWaalsContact O-CD1 3.26Å; S165-L167 WeakPolarHBondContact O-CD1 3.39Å; S165-L167 PolarHBondContact O-N 3.45Å
166N94.3Very high89Confident43 Ų4359.4 Ų59.423%0.2331%0.314CS..SBendtrans54.524.8-172-57.9-38.6000114.7Q120 R121 V122 Q177Q120-N166 WeakPolarHBondContact CB-ND2 3.29Å; Q120-N166 WeakPolarHBondContact CG-ND2 3.42Å; Q120-N166 PolarHBondContact NE2-OD1 3.15Å; R121-N166 PolarHBondContact O-ND2 3.48Å; R121-N166 VanDerWaalsContact O-ND2 3.08Å; V122-N166 HydrophobicContact CB-CB 4.36Å; V122-N166 HydrophobicContact CG1-CB 4.21Å; V122-N166 HydrophobicContact CG2-CB 3.97Å; N166-Q177 VanDerWaalsContact O-CB 3.26Å; N166-Q177 WeakPolarHBondContact O-CB 3.39Å; N166-Q177 WeakPolarHBondContact O-CG 3.3Å
167L95.1Very high90Very high11 Ų1160.1 Ų60.16%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-132.8159.9163.7-69.286000107.3V122 A124 L164 S165 L174 I176 Y182V122-L167 HydrophobicContact CG1-CD1 3.57Å; A124-L167 HydrophobicContact CB-CB 4.23Å; A124-L167 HydrophobicContact CB-CD1 4.43Å; A124-L167 HydrophobicContact CB-CD2 4.07Å; A124-L167 HydrophobicContact CB-CG 4.5Å; L164-L167 HydrophobicContact CD2-CB 4.48Å; S165-L167 VanDerWaalsContact O-CD1 3.26Å; S165-L167 WeakPolarHBondContact O-CD1 3.39Å; S165-L167 PolarHBondContact O-N 3.45Å; L167-L174 HydrophobicContact CD2-CB 4.44Å; L167-I176 HydrophobicContact CD2-CD1 3.86Å; L167-Y182 HydrophobicContact CD2-CE1 4.49Å
168H94.3Very high90.9Very high77 Ų7760.3 Ų60.336%0.35631%0.305SS..EExtended strand (participates in β ladder)trans-133.6152.5170.666.4-94.2000111.5V175 Q177H168-V175 VanDerWaalsContact CE1-CB 3.44Å; H168-V175 WeakPolarHBondContact CE1-CB 3.24Å; H168-V175 VanDerWaalsContact CE1-CG1 3.45Å; H168-V175 WeakPolarHBondContact CE1-CG1 3.38Å; H168-V175 PolarHBondContact N-O 3.22Å; H168-V175 WeakPolarHBondContact NE2-CB 3.49Å; H168-V175 WeakPolarHBondContact NE2-CG2 3.27Å; H168-V175 PolarHBondContact O-N 3.03Å; H168-Q177 PolarHBondContact CE1-NE2 3.28Å; H168-Q177 PolarHBondContact ND1-NE2 3.19Å
169L95.3Very high92.3Very high33 Ų3353.3 Ų53.317%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-95130.4176.7-175.865.4000109.8I126 W154 L164 E173 L174I126-L169 HydrophobicContact CD1-CD1 3.51Å; I126-L169 HydrophobicContact CD1-CD2 4.19Å; I126-L169 HydrophobicContact CD1-CG 4.41Å; W154-L169 HydrophobicContact CB-CD2 3.9Å; W154-L169 WeakPolarHBondContact O-CD2 2.94Å; L164-L169 HydrophobicContact CD1-CB 4.08Å; L169-E173 WeakPolarHBondContact CA-O 3.48Å; L169-L174 HydrophobicContact CD1-CD2 4.47Å
170R94Very high93.7Very high155 Ų15551.2 Ų51.259%0.58527%0.268SS*.EExtended strand (participates in β ladder)trans-139.4118.7174.1-175.9179.5179.7-174.6-0.2109.8G172 E173 V175R170-G172 PolarHBondContact O-N 3.34Å; R170-E173 PolarHBondContact N-O 2.9Å; R170-E173 VanDerWaalsContact O-CB 3.27Å; R170-E173 WeakPolarHBondContact O-CB 3.36Å; R170-E173 PolarHBondContact O-N 3.17Å; R170-V175 HydrophobicContact CB-CG2 4.08Å
171N91.4Very high94.8Very high118 Ų11849 Ų4963%0.63123%0.234SC*.THydrogen-bonded Turntrans53.136.1177.8-56.8-22.7000114.1E173N171-E173 VanDerWaalsContact C-N 3.31Å
172G93.9Very high95.5Very high2 Ų243.5 Ų43.52%0.02121%0.209CC..THydrogen-bonded Turntrans82.61.7-175.700000115.6R170R170-G172 PolarHBondContact O-N 3.34Å
173E97.9Very high95.8Very high6 Ų646.5 Ų46.53%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-105.2129.9-178.3-57.6159.5-168.900110.3K150 L169 R170 N171 R255 I256 F257K150-E173 HydrophobicContact CD-CG 4.37Å; K150-E173 IonicContact NZ-OE1 3.21Å; K150-E173 PolarHBondContact NZ-OE1 3.44Å; L169-E173 WeakPolarHBondContact CA-O 3.48Å; R170-E173 PolarHBondContact N-O 2.9Å; R170-E173 VanDerWaalsContact O-CB 3.27Å; R170-E173 WeakPolarHBondContact O-CB 3.36Å; R170-E173 PolarHBondContact O-N 3.17Å; N171-E173 VanDerWaalsContact C-N 3.31Å; E173-R255 HydrophobicContact CB-CB 4.18Å; E173-R255 IonicContact OE1-NH1 3.82Å; E173-R255 WeakPolarHBondContact OE2-CD 2.99Å; E173-R255 IonicContact OE2-CZ 2.64Å; E173-R255 IonicContact OE2-NE 3.35Å; E173-R255 IonicContact OE2-NH1 2.73Å; E173-R255 PolarHBondContact OE2-NH1 3.34Å; E173-I256 CarbonylContact C-O 3.54Å; E173-I256 VanDerWaalsContact CA-O 3.28Å; E173-I256 WeakPolarHBondContact CA-O 3.25Å; E173-F257 HydrophobicContact CB-CB 4.46Å; E173-F257 HydrophobicContact CG-CB 3.87Å; E173-F257 HydrophobicContact CG-CD1 4.27Å; E173-F257 HydrophobicContact CG-CG 4.35Å
174L98.3Very high96Very high0 Ų042.2 Ų42.20%020%0.201CC..EExtended strand (participates in β ladder)trans-78.6124.1167.1-72.7173.3000108.7A124 I126 L164 L167 L169 R255 I256 F275 A277A124-L174 HydrophobicContact CB-CD1 4.05Å; A124-L174 HydrophobicContact CB-CD2 3.82Å; I126-L174 HydrophobicContact CD1-CD2 4.04Å; I126-L174 HydrophobicContact CD1-CG 4.12Å; I126-L174 HydrophobicContact CG2-CD2 4.45Å; L164-L174 HydrophobicContact CD2-CD2 3.58Å; L167-L174 HydrophobicContact CD2-CB 4.44Å; L169-L174 HydrophobicContact CD1-CD2 4.47Å; L174-R255 WeakPolarHBondContact O-CA 3.46Å; L174-I256 HydrophobicContact CB-CD1 4.24Å; L174-I256 HydrophobicContact CB-CG1 3.74Å; L174-I256 HydrophobicContact CD1-CD1 4.38Å; L174-I256 PolarHBondContact N-O 2.04Å; L174-I256 PolarHBondContact O-N 3.37Å; L174-F275 HydrophobicContact CB-CE1 4.27Å; L174-F275 HydrophobicContact CD1-CD1 3.87Å; L174-F275 HydrophobicContact CD1-CE1 3.65Å; L174-F275 HydrophobicContact CD1-CG 4.48Å; L174-F275 HydrophobicContact CD1-CZ 4.09Å; L174-F275 HydrophobicContact CG-CD1 4.14Å; L174-F275 HydrophobicContact CG-CE1 3.86Å; L174-A277 HydrophobicContact CD1-CB 4.45Å
175V98.2Very high96.2Very high9 Ų941.3 Ų41.36%0.05520%0.195CC..EExtended strand (participates in β ladder)trans-103122.8-178.4-172.80000110.1H168 R170 R255H168-V175 VanDerWaalsContact CE1-CB 3.44Å; H168-V175 WeakPolarHBondContact CE1-CB 3.24Å; H168-V175 VanDerWaalsContact CE1-CG1 3.45Å; H168-V175 WeakPolarHBondContact CE1-CG1 3.38Å; H168-V175 PolarHBondContact N-O 3.22Å; H168-V175 WeakPolarHBondContact NE2-CB 3.49Å; H168-V175 WeakPolarHBondContact NE2-CG2 3.27Å; H168-V175 PolarHBondContact O-N 3.03Å; R170-V175 HydrophobicContact CB-CG2 4.08Å; V175-R255 HydrophobicContact CG1-CG 4.33Å; V175-R255 HydrophobicContact CG2-CG 4.13Å
176I98.1Very high96.4Very high0 Ų039.4 Ų39.40%018%0.181CC..EExtended strand (participates in β ladder)trans-77.8128.7-174.2-57.3-55.3000111L167 E178 Y182 L250 K251 D253 D254 I256L167-I176 HydrophobicContact CD2-CD1 3.86Å; I176-E178 WeakPolarHBondContact CG2-O 3.32Å; I176-Y182 HydrophobicContact CD1-CD1 4.27Å; I176-Y182 HydrophobicContact CD1-CE1 4.08Å; I176-Y182 HydrophobicContact CD1-CE2 4.46Å; I176-Y182 HydrophobicContact CG2-CE2 3.75Å; I176-L250 HydrophobicContact CD1-CD1 3.5Å; I176-L250 VanDerWaalsContact CD1-CD1 3.5Å; I176-L250 HydrophobicContact CG1-CB 4.01Å; I176-L250 HydrophobicContact CG1-CD1 3.59Å; I176-L250 HydrophobicContact CG1-CG 4.42Å; I176-L250 HydrophobicContact CG2-CB 4.23Å; I176-K251 WeakPolarHBondContact CG2-O 3.25Å; I176-D253 PolarHBondContact O-N 2.82Å; I176-D254 HydrophobicContact CG1-CB 4.28Å; I176-D254 WeakPolarHBondContact CG1-O 3.4Å; I176-D254 PolarHBondContact N-O 3.39Å; I176-I256 HydrophobicContact CD1-CD1 4.47Å
177Q96.5Very high96.6Very high66 Ų6639.3 Ų39.331%0.30818%0.179SC..  trans-97.1-29.6177.6-61.4-58.2-60.700113.4N166 H168 K252N166-Q177 VanDerWaalsContact O-CB 3.26Å; N166-Q177 WeakPolarHBondContact O-CB 3.39Å; N166-Q177 WeakPolarHBondContact O-CG 3.3Å; H168-Q177 PolarHBondContact CE1-NE2 3.28Å; H168-Q177 PolarHBondContact ND1-NE2 3.19Å; Q177-K252 WeakPolarHBondContact O-CD 3.37Å; Q177-K252 WeakPolarHBondContact O-CG 3.39Å
178E95.1Very high96.8Very high71 Ų7138.8 Ų38.833%0.33218%0.176SC..SBendtrans-122.2131.6-175.4-64.6-177.6-149.400109.7V122 I176 Y182V122-E178 VanDerWaalsContact CG2-CD 3.49Å; V122-E178 HydrophobicContact CG2-CG 4.44Å; V122-E178 WeakPolarHBondContact CG2-OE1 3.38Å; V122-E178 WeakPolarHBondContact CG2-OE2 3.41Å; I176-E178 WeakPolarHBondContact CG2-O 3.32Å; E178-Y182 VanDerWaalsContact O-CE2 3.29Å; E178-Y182 WeakPolarHBondContact O-CE2 3.36Å; E178-Y182 PolarHBondContact O-OH 3.25Å
179K96.3Very high97Very high89 Ų8937.1 Ų37.139%0.38717%0.167SC..  trans-65.5138173.8178.8-167.8172.7-173.90108.8T99 E249 L250T99-K179 HydrophobicContact CG2-CD 4.15Å; T99-K179 PolarHBondContact OG1-NZ 3.37Å; K179-E249 WeakPolarHBondContact CE-OE1 3.32Å; K179-E249 IonicContact NZ-OE1 2.7Å; K179-E249 PolarHBondContact NZ-OE1 3.18Å; K179-L250 WeakPolarHBondContact CA-O 3.42Å
180G95.3Very high97.1Very high7 Ų735.6 Ų35.67%0.07216%0.159CC..EExtended strand (participates in β ladder)trans165.9-167.9168.400000113Y182 E249 L250 G281G180-Y182 WeakPolarHBondContact O-CD2 3.47Å; G180-E249 WeakPolarHBondContact O-CA 3.26Å; G180-L250 PolarHBondContact N-O 3Å; G180-L250 VanDerWaalsContact N-O 3.08Å; G180-L250 PolarHBondContact O-N 2.99Å; G180-G281 WeakPolarHBondContact CA-O 3.47Å
181F97.3Very high97.2Very high38 Ų3834.6 Ų34.617%0.16716%0.155CC..EExtended strand (participates in β ladder)trans-88.9118.5175.8-68.8-78.2000110.5I92 T95 L247 F248 E249 V280 G281I92-F181 HydrophobicContact CG1-CD2 4.31Å; T95-F181 HydrophobicContact CG2-CE2 4.25Å; T95-F181 HydrophobicContact CG2-CZ 4.15Å; F181-L247 HydrophobicContact CB-CD1 3.95Å; F181-L247 HydrophobicContact CB-CD2 4.41Å; F181-L247 HydrophobicContact CB-CG 4.18Å; F181-L247 HydrophobicContact CD1-CD2 4.46Å; F181-L247 HydrophobicContact CD1-CG 4.43Å; F181-F248 WeakPolarHBondContact CA-O 3.27Å; F181-E249 HydrophobicContact CD1-CB 3.93Å; F181-E249 HydrophobicContact CD1-CG 4.48Å; F181-E249 HydrophobicContact CE1-CB 3.72Å; F181-E249 HydrophobicContact CE1-CG 4.22Å; F181-E249 HydrophobicContact CZ-CB 4.4Å; F181-E249 HydrophobicContact CZ-CG 4.46Å; F181-V280 PolarHBondContact O-N 3.44Å; F181-G281 PolarHBondContact N-O 3.32Å
182Y98.4Very high97.4Very high0 Ų029.8 Ų29.80%013%0.129CC..EExtended strand (participates in β ladder)trans-107.1129178.8-73.1-100.5000110.4V122 L167 I176 E178 G180 I184 L247 F248 L250 A277 F278 L279V122-Y182 HydrophobicContact CG1-CE1 3.78Å; V122-Y182 WeakPolarHBondContact CG1-OH 3.32Å; L167-Y182 HydrophobicContact CD2-CE1 4.49Å; I176-Y182 HydrophobicContact CD1-CD1 4.27Å; I176-Y182 HydrophobicContact CD1-CE1 4.08Å; I176-Y182 HydrophobicContact CD1-CE2 4.46Å; I176-Y182 HydrophobicContact CG2-CE2 3.75Å; E178-Y182 VanDerWaalsContact O-CE2 3.29Å; E178-Y182 WeakPolarHBondContact O-CE2 3.36Å; E178-Y182 PolarHBondContact O-OH 3.25Å; G180-Y182 WeakPolarHBondContact O-CD2 3.47Å; Y182-I184 PolarHBondContact O-N 3.38Å; Y182-L247 WeakPolarHBondContact O-CA 3.45Å; Y182-F248 PolarHBondContact N-O 3.03Å; Y182-F248 PolarHBondContact O-N 3.5Å; Y182-L250 HydrophobicContact CD2-CB 3.83Å; Y182-L250 HydrophobicContact CD2-CD1 3.73Å; Y182-L250 HydrophobicContact CD2-CG 3.92Å; Y182-L250 HydrophobicContact CE2-CB 4.19Å; Y182-L250 HydrophobicContact CE2-CD1 4.5Å; Y182-L250 HydrophobicContact CG-CD1 3.78Å; Y182-L250 HydrophobicContact CG-CG 4.37Å; Y182-A277 HydrophobicContact CD1-CB 4.32Å; Y182-F278 VanDerWaalsContact CA-O 3.32Å; Y182-F278 WeakPolarHBondContact CA-O 3.38Å; Y182-L279 HydrophobicContact CD1-CB 4.47Å; Y182-L279 HydrophobicContact CD2-CD1 4.17Å; Y182-L279 HydrophobicContact CE1-CB 4.08Å; Y182-L279 HydrophobicContact CE1-CD1 4.39Å; Y182-L279 HydrophobicContact CE2-CD1 3.72Å
183Y98.6Very high97.3Very high68 Ų6837.7 Ų37.727%0.26717%0.165SC..EExtended strand (participates in β ladder)trans-79.9113.4160.8-177.3-92.9000107.5Y185 Y243 G246 A277 F278Y183-Y185 AromaticContact CD1-CD1 3.87Å; Y183-Y185 HydrophobicContact CD1-CD1 3.87Å; Y183-Y185 AromaticContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CG 4.17Å; Y183-Y243 PolarHBondContact OH-OH 3.38Å; Y183-G246 WeakPolarHBondContact CA-O 3.16Å; Y183-A277 WeakPolarHBondContact O-CA 3.27Å; Y183-F278 HydrophobicContact CD1-CD1 4.24Å; Y183-F278 AromaticContact CD1-CE1 3.39Å; Y183-F278 HydrophobicContact CD1-CE1 3.39Å; Y183-F278 AromaticContact CD1-CZ 3.73Å; Y183-F278 HydrophobicContact CD1-CZ 3.73Å; Y183-F278 HydrophobicContact CE1-CE1 4.27Å; Y183-F278 AromaticContact CG-CE1 3.96Å; Y183-F278 HydrophobicContact CG-CE1 3.96Å; Y183-F278 AromaticContact CG-CZ 3.87Å; Y183-F278 HydrophobicContact CG-CZ 3.87Å; Y183-F278 PolarHBondContact N-O 3.34Å; Y183-F278 PolarHBondContact O-N 3.14Å; Y183-F278 VanDerWaalsContact O-N 3.07Å
184I98.8Very high96.8Very high0 Ų038.6 Ų38.60%017%0.17CC..EExtended strand (participates in β ladder)trans-105.4135-178.6-53.1168.1000107.6Y182 I210 L222 M223 G245 G246 F248 L250 I256 F275 A277Y182-I184 PolarHBondContact O-N 3.38Å; I184-I210 HydrophobicContact CG2-CG2 3.95Å; I184-L222 HydrophobicContact CD1-CD1 3.68Å; I184-M223 HydrophobicContact CB-CE 4.11Å; I184-M223 HydrophobicContact CG2-CE 4.31Å; I184-G245 CarbonylContact O-C 3.5Å; I184-G245 WeakPolarHBondContact O-CA 3.34Å; I184-G246 PolarHBondContact N-O 3.46Å; I184-G246 PolarHBondContact O-N 3.03Å; I184-F248 HydrophobicContact CD1-CB 4.16Å; I184-F248 HydrophobicContact CD1-CD2 3.97Å; I184-F248 HydrophobicContact CD1-CG 4.37Å; I184-L250 HydrophobicContact CD1-CD1 4.02Å; I184-L250 HydrophobicContact CD1-CD2 4.42Å; I184-I256 HydrophobicContact CD1-CD1 3.97Å; I184-I256 HydrophobicContact CD1-CG2 4.19Å; I184-I256 HydrophobicContact CG1-CD1 3.96Å; I184-I256 HydrophobicContact CG2-CD1 3.9Å; I184-F275 HydrophobicContact CG2-CE2 3.61Å; I184-F275 HydrophobicContact CG2-CZ 4.17Å; I184-A277 HydrophobicContact CG1-CB 4.3Å
185Y98.9Very high95.8Very high35 Ų3544.7 Ų44.714%0.13720%0.198CC..EExtended strand (participates in β ladder)trans-144.1152.2178.364.5-85.5000112.2H125 Y183 Y243 Q244 F274 F275 G276 F278H125-Y185 AromaticContact ND1-CE2 3.75Å; H125-Y185 AromaticContact ND1-CZ 3.77Å; H125-Y185 PolarHBondContact ND1-OH 2.9Å; Y183-Y185 AromaticContact CD1-CD1 3.87Å; Y183-Y185 HydrophobicContact CD1-CD1 3.87Å; Y183-Y185 AromaticContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CG 4.17Å; Y185-Y243 WeakPolarHBondContact CB-OH 3.47Å; Y185-Y243 AromaticContact CD2-CE2 3.99Å; Y185-Y243 HydrophobicContact CD2-CE2 3.99Å; Y185-Y243 HydrophobicContact CG-CE2 4.41Å; Y185-Q244 VanDerWaalsContact CA-O 3.25Å; Y185-Q244 WeakPolarHBondContact CA-O 2.97Å; Y185-F274 HydrophobicContact CD2-CD2 4.35Å; Y185-F274 HydrophobicContact CD2-CE2 4.23Å; Y185-F274 HydrophobicContact CE2-CD2 4.09Å; Y185-F274 HydrophobicContact CE2-CE2 4.18Å; Y185-F275 WeakPolarHBondContact O-CD2 3.34Å; Y185-G276 PolarHBondContact N-O 3.39Å; Y185-G276 PolarHBondContact O-N 3Å; Y185-G276 VanDerWaalsContact O-O 3.12Å; Y185-F278 HydrophobicContact CE1-CD1 4.25Å; Y185-F278 HydrophobicContact CE1-CE1 4.46Å
186S98.8Very high94.4Very high0 Ų051.1 Ų51.10%023%0.231CC..EExtended strand (participates in β ladder)trans-148.1143174.3-170.20000111.1Q208 Y243 Q244 V258 F274S186-Q208 PolarHBondContact O-NE2 3.34Å; S186-Q208 PolarHBondContact O-OE1 2.86Å; S186-Q208 PolarHBondContact OG-NE2 3.14Å; S186-Y243 WeakPolarHBondContact O-CA 3.17Å; S186-Q244 PolarHBondContact N-O 3.49Å; S186-Q244 PolarHBondContact O-N 2.91Å; S186-Q244 VanDerWaalsContact O-N 3.09Å; S186-V258 WeakPolarHBondContact OG-CG2 3.34Å; S186-F274 CarbonylContact C-O 3.59Å; S186-F274 WeakPolarHBondContact CA-O 3.3Å; S186-F274 PolarHBondContact OG-O 3.14Å
187Q98.8Very high93Very high40 Ų4056.5 Ų56.519%0.18725%0.254CS..EExtended strand (participates in β ladder)trans-115.4135.1163.2-168.4168.2-86.200109.9I242 Y243 A272 S273 F274Q187-I242 CarbonylContact C-O 3.59Å; Q187-I242 VanDerWaalsContact CA-O 3.27Å; Q187-I242 WeakPolarHBondContact CA-O 3.06Å; Q187-Y243 HydrophobicContact CB-CD2 4.19Å; Q187-A272 WeakPolarHBondContact CG-O 3.49Å; Q187-A272 PolarHBondContact NE2-O 3.07Å; Q187-S273 CarbonylContact O-C 3.6Å; Q187-S273 VanDerWaalsContact O-CA 3.27Å; Q187-S273 WeakPolarHBondContact O-CA 3.29Å; Q187-F274 HydrophobicContact CB-CD1 4.13Å; Q187-F274 HydrophobicContact CB-CD2 3.95Å; Q187-F274 HydrophobicContact CB-CE1 3.69Å; Q187-F274 HydrophobicContact CB-CE2 3.5Å; Q187-F274 VanDerWaalsContact CB-CE2 3.5Å; Q187-F274 HydrophobicContact CB-CG 4.25Å; Q187-F274 HydrophobicContact CB-CZ 3.35Å; Q187-F274 HydrophobicContact CG-CE1 4.28Å; Q187-F274 HydrophobicContact CG-CZ 4.15Å; Q187-F274 PolarHBondContact N-O 2.98Å; Q187-F274 PolarHBondContact O-N 3.4Å; Q187-F274 VanDerWaalsContact O-O 3.09Å
188T98.5Very high91.4Very high0 Ų061.7 Ų61.70%028%0.278CS..EExtended strand (participates in β ladder)trans-128.8126.6170.551.10000108.7I151 Q208 I242 V258 V260I151-T188 HydrophobicContact CD1-CG2 3.84Å; T188-Q208 HydrophobicContact CG2-CG 4.06Å; T188-Q208 VanDerWaalsContact CG2-NE2 3.27Å; T188-Q208 PolarHBondContact OG1-NE2 2.86Å; T188-I242 PolarHBondContact N-O 2.9Å; T188-I242 PolarHBondContact O-N 3.01Å; T188-V258 HydrophobicContact CG2-CG1 4.18Å; T188-V260 HydrophobicContact CG2-CG1 3.85Å
189Y98.4Very high89.9Confident43 Ų4366.3 Ų66.317%0.16931%0.306CS..EExtended strand (participates in β ladder)trans-99.6110.2179.9-176.4-145.2000110.7R191 L239 S241 I266 D267 A272 S273Y189-R191 HydrophobicContact CD1-CB 4.26Å; Y189-R191 HydrophobicContact CE1-CB 3.92Å; Y189-R191 HydrophobicContact CE1-CG 4.4Å; Y189-R191 HydrophobicContact CE2-CB 4.49Å; Y189-L239 HydrophobicContact CE2-CB 4.05Å; Y189-L239 WeakPolarHBondContact OH-CD2 3.39Å; Y189-S241 VanDerWaalsContact CD2-OG 3.24Å; Y189-S241 WeakPolarHBondContact CD2-OG 3.38Å; Y189-I266 CarbonylContact O-C 3.55Å; Y189-I266 WeakPolarHBondContact O-CA 3.47Å; Y189-D267 HydrophobicContact CD1-CB 3.65Å; Y189-D267 HydrophobicContact CE1-CB 4.37Å; Y189-D267 HydrophobicContact CG-CB 4.35Å; Y189-D267 PolarHBondContact O-N 2.98Å; Y189-A272 HydrophobicContact CD1-CB 3.67Å; Y189-A272 HydrophobicContact CG-CB 4.14Å; Y189-S273 PolarHBondContact N-OG 3.09Å
190F97.7Very high88.6Confident0 Ų066.3 Ų66.30%031%0.313CS..EExtended strand (participates in β ladder)trans-85.9115.3171.1-66.5-99.3000108.6M206 Y240 I242 V260 T261 N262 L265 I266F190-M206 HydrophobicContact CB-CG 4.19Å; F190-M206 HydrophobicContact CB-SD 3.59Å; F190-M206 VanDerWaalsContact CB-SD 3.59Å; F190-M206 HydrophobicContact CD1-CB 3.89Å; F190-M206 HydrophobicContact CD1-CG 3.54Å; F190-M206 HydrophobicContact CD1-SD 4.1Å; F190-M206 HydrophobicContact CD2-CB 3.97Å; F190-M206 HydrophobicContact CD2-CG 4.3Å; F190-M206 HydrophobicContact CD2-SD 4.44Å; F190-M206 HydrophobicContact CE1-CB 3.84Å; F190-M206 HydrophobicContact CE1-CG 3.88Å; F190-M206 HydrophobicContact CE2-CB 3.95Å; F190-M206 HydrophobicContact CG-CB 3.95Å; F190-M206 HydrophobicContact CG-CG 3.76Å; F190-M206 HydrophobicContact CG-SD 3.81Å; F190-M206 HydrophobicContact CZ-CB 3.86Å; F190-M206 HydrophobicContact CZ-CG 4.41Å; F190-Y240 PolarHBondContact N-O 2.76Å; F190-Y240 PolarHBondContact O-N 3Å; F190-I242 HydrophobicContact CD2-CD1 4.07Å; F190-I242 HydrophobicContact CD2-CG1 4.32Å; F190-I242 HydrophobicContact CE2-CD1 3.77Å; F190-I242 HydrophobicContact CE2-CG1 4.32Å; F190-V260 HydrophobicContact CZ-CB 4.18Å; F190-V260 HydrophobicContact CZ-CG1 4.32Å; F190-T261 VanDerWaalsContact CE1-O 3.26Å; F190-T261 WeakPolarHBondContact CE1-O 3.4Å; F190-N262 HydrophobicContact CE1-CB 4.38Å; F190-L265 CarbonylContact C-O 3.55Å; F190-L265 WeakPolarHBondContact CA-O 3.37Å; F190-L265 HydrophobicContact CD1-CB 4.3Å; F190-I266 HydrophobicContact CD1-CD1 3.54Å; F190-I266 HydrophobicContact CD2-CD1 3.78Å; F190-I266 HydrophobicContact CE1-CD1 3.41Å; F190-I266 VanDerWaalsContact CE1-CD1 3.41Å; F190-I266 HydrophobicContact CE1-CG1 4.36Å; F190-I266 HydrophobicContact CE2-CD1 3.64Å; F190-I266 HydrophobicContact CG-CD1 3.74Å; F190-I266 HydrophobicContact CZ-CD1 3.47Å; F190-I266 VanDerWaalsContact CZ-CD1 3.47Å
191R96.3Very high87.3Confident134 Ų13474.8 Ų74.851%0.50635%0.348SS..EExtended strand (participates in β ladder)trans-131.3121.9178.6-180166.775.5100.60.3110Y189 G238 L239 L265 D267Y189-R191 HydrophobicContact CD1-CB 4.26Å; Y189-R191 HydrophobicContact CE1-CB 3.92Å; Y189-R191 HydrophobicContact CE1-CG 4.4Å; Y189-R191 HydrophobicContact CE2-CB 4.49Å; R191-G238 WeakPolarHBondContact CA-O 3.36Å; R191-L239 HydrophobicContact CB-CD2 4.32Å; R191-L239 HydrophobicContact CG-CD2 3.61Å; R191-L265 PolarHBondContact N-O 3.3Å; R191-D267 HydrophobicContact CB-CB 4.19Å; R191-D267 IonicContact CZ-OD2 2.65Å; R191-D267 IonicContact NE-OD2 2.72Å; R191-D267 PolarHBondContact NE-OD2 3.24Å; R191-D267 IonicContact NH2-OD2 2.9Å; R191-D267 PolarHBondContact NH2-OD2 2.96Å
192F94.6Very high86.3Confident18 Ų1875.6 Ų75.68%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-152.2153179.756.4-93.5000111.5E194 K204 M206 Y237 G238 Y240 L265F192-E194 HydrophobicContact CD2-CG 4.2Å; F192-E194 HydrophobicContact CE2-CG 3.9Å; F192-E194 WeakPolarHBondContact CE2-OE1 3.45Å; F192-K204 HydrophobicContact CD2-CD 4.36Å; F192-K204 HydrophobicContact CE1-CD 4.14Å; F192-K204 HydrophobicContact CE2-CD 3.97Å; F192-K204 HydrophobicContact CZ-CD 3.82Å; F192-M206 HydrophobicContact CE1-SD 3.88Å; F192-Y237 CarbonylContact O-C 3.6Å; F192-Y237 VanDerWaalsContact O-CA 3.29Å; F192-Y237 WeakPolarHBondContact O-CA 3.46Å; F192-Y237 VanDerWaalsContact O-CB 3.3Å; F192-Y237 WeakPolarHBondContact O-CB 3.42Å; F192-G238 PolarHBondContact N-O 3.23Å; F192-G238 VanDerWaalsContact N-O 3.09Å; F192-G238 PolarHBondContact O-N 3.42Å; F192-Y240 HydrophobicContact CE1-CD2 4.13Å; F192-Y240 HydrophobicContact CE1-CE2 4.25Å; F192-Y240 HydrophobicContact CZ-CD2 4.29Å; F192-Y240 AromaticContact CZ-CE2 3.94Å; F192-Y240 HydrophobicContact CZ-CE2 3.94Å; F192-L265 HydrophobicContact CB-CB 4.42Å; F192-L265 HydrophobicContact CB-CD2 3.75Å; F192-L265 HydrophobicContact CB-CG 4.45Å; F192-L265 HydrophobicContact CD1-CB 4.09Å; F192-L265 HydrophobicContact CD1-CD1 3.76Å; F192-L265 HydrophobicContact CD1-CD2 4.46Å; F192-L265 HydrophobicContact CD1-CG 4.32Å; F192-L265 HydrophobicContact CE1-CD1 4.22Å; F192-L265 HydrophobicContact CG-CD1 4.21Å; F192-L265 HydrophobicContact CG-CD2 4.27Å
193Q93.1Very high85.8Confident167 Ų16779.9 Ų79.978%0.7838%0.377SS*.EExtended strand (participates in β ladder)trans-91.4137.1164.6-166.5169.97.500108E236Q193-E236 WeakPolarHBondContact CG-O 3.35Å
194E87.4Confident85.5Confident26 Ų2678.3 Ų78.312%0.12137%0.371CS..PPolyproline II helixtrans-80.8130175.9-73.5-72-178.100109.5F192 K204 A235 E236F192-E194 HydrophobicContact CD2-CG 4.2Å; F192-E194 HydrophobicContact CE2-CG 3.9Å; F192-E194 WeakPolarHBondContact CE2-OE1 3.45Å; E194-K204 IonicContact OE1-NZ 3.94Å; E194-K204 PolarHBondContact OE1-NZ 3.02Å; E194-K204 IonicContact OE2-NZ 3.15Å; E194-K204 PolarHBondContact OE2-NZ 2.99Å; E194-A235 WeakPolarHBondContact CB-O 3.39Å; E194-A235 WeakPolarHBondContact CG-O 3.28Å; E194-E236 PolarHBondContact N-O 2.9Å
195E76.8Confident85.4Confident128 Ų12884.6 Ų84.660%0.59840%0.401SS*.PPolyproline II helixtrans-89.2120.5166.6-72-179.3167.300108.2K197 N202E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 HydrophobicContact CB-CG 4.4Å; E195-K197 PolarHBondContact O-N 3.45Å; E195-K197 WeakPolarHBondContact OE2-CE 3.32Å; E195-K197 IonicContact OE2-NZ 3.12Å; E195-K197 PolarHBondContact OE2-NZ 3.41Å; E195-N202 PolarHBondContact O-ND2 3.35Å
196I68.6Low85.3Confident143 Ų14382.9 Ų82.973%0.73339%0.394SS*.  trans-68.795.9173.2-56.2175000107.6
197K68.3Low85.3Confident113 Ų11383.4 Ų83.449%0.49140%0.397SS..  trans-95.9111.8172.5-68.5-177.2-178.4170.10108.2E195 N199 T200E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 HydrophobicContact CB-CG 4.4Å; E195-K197 PolarHBondContact O-N 3.45Å; E195-K197 WeakPolarHBondContact OE2-CE 3.32Å; E195-K197 IonicContact OE2-NZ 3.12Å; E195-K197 PolarHBondContact OE2-NZ 3.41Å; K197-N199 PolarHBondContact O-N 3.14Å; K197-T200 PolarHBondContact O-N 2.81Å
198E63.6Low85.3Confident175 Ų17581.5 Ų81.582%0.81839%0.388SS*.THydrogen-bonded Turntrans-55.7128.5171.3-70.2-17616500108.9
199N63.9Low85.3Confident169 Ų16982.6 Ų82.690%0.90439%0.393SS*.THydrogen-bonded Turntrans74.716.4176-58.4-34000119.4K197K197-N199 PolarHBondContact O-N 3.14Å
200T67.9Low85.3Confident89 Ų8980.6 Ų80.655%0.54639%0.385SS..  trans-119.9138.4173.1-34.20000112.2K197 N202K197-T200 PolarHBondContact O-N 2.81Å; T200-N202 PolarHBondContact O-N 2.85Å
201K69.6Low85.4Confident185 Ų18581.1 Ų81.180%0.80439%0.387SS*.  trans-72.5117.3164.8-73.7-174.8176.2-178.60107.7D203K201-D203 VanDerWaalsContact C-N 3.27Å; K201-D203 WeakPolarHBondContact CB-OD1 3.5Å; K201-D203 PolarHBondContact O-N 3.09Å
202N75.8Confident85.4Confident54 Ų5476.2 Ų76.229%0.28937%0.369SS..  trans-93.427179.8-74.8-12000112E195 T200 K204E195-N202 PolarHBondContact O-ND2 3.35Å; T200-N202 PolarHBondContact O-N 2.85Å; N202-K204 PolarHBondContact O-N 3.09Å; N202-K204 PolarHBondContact O-NZ 3.35Å
203D86.6Confident85.6Confident90 Ų9076.6 Ų76.648%0.48137%0.37SS..  trans-67.4122.4-179.560.4-57.9000110.8K201K201-D203 VanDerWaalsContact C-N 3.27Å; K201-D203 WeakPolarHBondContact CB-OD1 3.5Å; K201-D203 PolarHBondContact O-N 3.09Å
204K92.9Very high85.7Confident35 Ų3570.4 Ų70.415%0.15234%0.344CS..  trans-112.6121.7-178.9-65.1169.6-169.668.60108.9F192 E194 N202 N228 S229 L265F192-K204 HydrophobicContact CD2-CD 4.36Å; F192-K204 HydrophobicContact CE1-CD 4.14Å; F192-K204 HydrophobicContact CE2-CD 3.97Å; F192-K204 HydrophobicContact CZ-CD 3.82Å; E194-K204 IonicContact OE1-NZ 3.94Å; E194-K204 PolarHBondContact OE1-NZ 3.02Å; E194-K204 IonicContact OE2-NZ 3.15Å; E194-K204 PolarHBondContact OE2-NZ 2.99Å; N202-K204 PolarHBondContact O-N 3.09Å; N202-K204 PolarHBondContact O-NZ 3.35Å; K204-N228 WeakPolarHBondContact O-CA 3.22Å; K204-S229 PolarHBondContact N-OG 2.97Å; K204-S229 PolarHBondContact O-N 3.46Å; K204-L265 HydrophobicContact CD-CD1 3.74Å
205Q96.1Very high86Confident132 Ų13274.6 Ų74.662%0.61738%0.376SS*.EExtended strand (participates in β ladder)trans-88.4111.4167.8-62.6-17610.700108.7V207 T261 N262Q205-V207 HydrophobicContact CB-CG2 4.48Å; Q205-T261 WeakPolarHBondContact O-CB 3.36Å; Q205-T261 PolarHBondContact O-OG1 2.9Å; Q205-N262 PolarHBondContact O-ND2 2.91Å
206M97.6Very high86.7Confident0 Ų074.8 Ų74.80%037%0.372CS..EExtended strand (participates in β ladder)trans-100.7110177.7-64.3164.3-71.700107.4F190 F192 A226 R227 Y240 I242F190-M206 HydrophobicContact CB-CG 4.19Å; F190-M206 HydrophobicContact CB-SD 3.59Å; F190-M206 VanDerWaalsContact CB-SD 3.59Å; F190-M206 HydrophobicContact CD1-CB 3.89Å; F190-M206 HydrophobicContact CD1-CG 3.54Å; F190-M206 HydrophobicContact CD1-SD 4.1Å; F190-M206 HydrophobicContact CD2-CB 3.97Å; F190-M206 HydrophobicContact CD2-CG 4.3Å; F190-M206 HydrophobicContact CD2-SD 4.44Å; F190-M206 HydrophobicContact CE1-CB 3.84Å; F190-M206 HydrophobicContact CE1-CG 3.88Å; F190-M206 HydrophobicContact CE2-CB 3.95Å; F190-M206 HydrophobicContact CG-CB 3.95Å; F190-M206 HydrophobicContact CG-CG 3.76Å; F190-M206 HydrophobicContact CG-SD 3.81Å; F190-M206 HydrophobicContact CZ-CB 3.86Å; F190-M206 HydrophobicContact CZ-CG 4.41Å; F192-M206 HydrophobicContact CE1-SD 3.88Å; M206-A226 CarbonylContact O-C 3.54Å; M206-A226 VanDerWaalsContact O-CA 3.32Å; M206-A226 WeakPolarHBondContact O-CA 3.39Å; M206-R227 HydrophobicContact CE-CB 4.02Å; M206-R227 PolarHBondContact N-O 3.32Å; M206-R227 PolarHBondContact O-N 2.98Å; M206-Y240 HydrophobicContact CE-CD1 3.8Å; M206-Y240 HydrophobicContact CE-CD2 3.48Å; M206-Y240 VanDerWaalsContact CE-CD2 3.48Å; M206-Y240 HydrophobicContact CE-CE1 4.07Å; M206-Y240 HydrophobicContact CE-CE2 3.77Å; M206-Y240 HydrophobicContact CE-CG 3.5Å; M206-Y240 VanDerWaalsContact CE-CG 3.5Å; M206-Y240 HydrophobicContact SD-CD2 3.47Å; M206-Y240 WeakPolarHBondContact SD-CD2 3.42Å; M206-Y240 HydrophobicContact SD-CE2 4.19Å; M206-Y240 HydrophobicContact SD-CG 3.7Å; M206-I242 HydrophobicContact CB-CD1 4.05Å; M206-I242 WeakPolarHBondContact O-CD1 3.33Å
207V98.4Very high87.7Confident10 Ų1073 Ų736%0.06137%0.37CS..EExtended strand (participates in β ladder)trans-128.3127.6-175.6-1660000108.8Q205 Y209 S225 A226 V260 T261Q205-V207 HydrophobicContact CB-CG2 4.48Å; V207-Y209 HydrophobicContact CB-CE2 3.78Å; V207-Y209 HydrophobicContact CG1-CD1 4.16Å; V207-Y209 HydrophobicContact CG1-CD2 4.25Å; V207-Y209 HydrophobicContact CG1-CE1 3.57Å; V207-Y209 HydrophobicContact CG1-CE2 3.67Å; V207-Y209 HydrophobicContact CG1-CG 4.47Å; V207-Y209 WeakPolarHBondContact CG1-OH 3.5Å; V207-S225 WeakPolarHBondContact CA-O 3.25Å; V207-A226 HydrophobicContact CB-CB 4.48Å; V207-A226 HydrophobicContact CG1-CB 4.14Å; V207-A226 HydrophobicContact CG2-CB 3.97Å; V207-V260 VanDerWaalsContact O-CA 3.25Å; V207-V260 WeakPolarHBondContact O-CA 3.24Å; V207-T261 HydrophobicContact CB-CG2 4.05Å; V207-T261 HydrophobicContact CG2-CG2 4.15Å; V207-T261 PolarHBondContact N-OG1 3.41Å; V207-T261 PolarHBondContact O-N 3.4Å
208Q98.8Very high88.9Confident0 Ų069.4 Ų69.40%036%0.356CS..EExtended strand (participates in β ladder)trans-103.6127.4171-173.6-164.676.500108.6S186 T188 K224 S225 I242 Q244 V258 V260S186-Q208 PolarHBondContact O-NE2 3.34Å; S186-Q208 PolarHBondContact O-OE1 2.86Å; S186-Q208 PolarHBondContact OG-NE2 3.14Å; T188-Q208 HydrophobicContact CG2-CG 4.06Å; T188-Q208 VanDerWaalsContact CG2-NE2 3.27Å; T188-Q208 PolarHBondContact OG1-NE2 2.86Å; Q208-K224 CarbonylContact O-C 3.59Å; Q208-K224 VanDerWaalsContact O-CA 3.27Å; Q208-K224 WeakPolarHBondContact O-CA 3.35Å; Q208-S225 PolarHBondContact N-O 3.37Å; Q208-S225 PolarHBondContact O-N 2.84Å; Q208-I242 HydrophobicContact CB-CG2 3.99Å; Q208-I242 PolarHBondContact NE2-O 2.91Å; Q208-Q244 PolarHBondContact O-NE2 3.42Å; Q208-Q244 VanDerWaalsContact OE1-CG 3.29Å; Q208-V258 HydrophobicContact CG-CG1 3.95Å; Q208-V260 HydrophobicContact CB-CG1 4.49Å; Q208-V260 HydrophobicContact CG-CG1 4.37Å
209Y98.8Very high90.5Very high24 Ų2461.9 Ų61.99%0.09432%0.322CS..EExtended strand (participates in β ladder)trans-116.4139.1177.1-53.1-86.6000109.9L147 V207 Y211 L221 M223 K224 V258 S259 T261L147-Y209 HydrophobicContact CB-CD1 4.47Å; L147-Y209 HydrophobicContact CB-CD2 4.37Å; L147-Y209 HydrophobicContact CB-CE1 4.05Å; L147-Y209 HydrophobicContact CB-CE2 3.93Å; L147-Y209 HydrophobicContact CD1-CE1 3.91Å; V207-Y209 HydrophobicContact CB-CE2 3.78Å; V207-Y209 HydrophobicContact CG1-CD1 4.16Å; V207-Y209 HydrophobicContact CG1-CD2 4.25Å; V207-Y209 HydrophobicContact CG1-CE1 3.57Å; V207-Y209 HydrophobicContact CG1-CE2 3.67Å; V207-Y209 HydrophobicContact CG1-CG 4.47Å; V207-Y209 WeakPolarHBondContact CG1-OH 3.5Å; Y209-Y211 HydrophobicContact CD1-CE2 4.44Å; Y209-Y211 AromaticContact CG-CE2 3.98Å; Y209-Y211 HydrophobicContact CG-CE2 3.98Å; Y209-L221 HydrophobicContact CD1-CD1 3.86Å; Y209-L221 HydrophobicContact CG-CD1 4.35Å; Y209-M223 WeakPolarHBondContact CA-O 3.45Å; Y209-K224 HydrophobicContact CD1-CB 3.76Å; Y209-K224 HydrophobicContact CE1-CB 4.12Å; Y209-K224 HydrophobicContact CE1-CD 4.41Å; Y209-V258 CarbonylContact O-C 3.55Å; Y209-V258 WeakPolarHBondContact O-CA 3.38Å; Y209-S259 WeakPolarHBondContact CD2-O 3.49Å; Y209-S259 PolarHBondContact N-O 2.88Å; Y209-S259 PolarHBondContact O-N 3.22Å; Y209-T261 HydrophobicContact CE2-CG2 4.18Å
210I98.8Very high92.1Very high0 Ų057.2 Ų57.20%030%0.296CS..EExtended strand (participates in β ladder)trans-115120.9170.1-62.6173.9000107.5I184 L222 M223 Q244 F257 V258I184-I210 HydrophobicContact CG2-CG2 3.95Å; I210-L222 HydrophobicContact CG2-CD1 4.46Å; I210-L222 WeakPolarHBondContact O-CB 3.4Å; I210-L222 PolarHBondContact O-N 3.18Å; I210-M223 HydrophobicContact CB-CB 4.41Å; I210-M223 HydrophobicContact CB-CE 4.12Å; I210-M223 HydrophobicContact CD1-CE 3.51Å; I210-M223 HydrophobicContact CG1-CE 4.38Å; I210-M223 HydrophobicContact CG2-CE 4.04Å; I210-M223 PolarHBondContact N-O 2.85Å; I210-M223 PolarHBondContact O-N 2.91Å; I210-Q244 HydrophobicContact CD1-CG 3.76Å; I210-F257 WeakPolarHBondContact CA-O 3.48Å; I210-V258 HydrophobicContact CG1-CG2 4.47Å
211Y98.6Very high93.5Very high11 Ų1156.3 Ų56.34%0.04329%0.288CS..EExtended strand (participates in β ladder)trans-114.7160.3-175.9-80.6-86.4000111.7A146 L147 Y209 P219 I220 L221 I256 F257A146-Y211 HydrophobicContact CB-CD1 4.39Å; A146-Y211 HydrophobicContact CB-CD2 4.18Å; A146-Y211 HydrophobicContact CB-CE1 4.13Å; A146-Y211 HydrophobicContact CB-CE2 3.89Å; A146-Y211 HydrophobicContact CB-CG 4.42Å; L147-Y211 WeakPolarHBondContact CB-OH 3.3Å; L147-Y211 PolarHBondContact N-OH 3.46Å; Y209-Y211 HydrophobicContact CD1-CE2 4.44Å; Y209-Y211 AromaticContact CG-CE2 3.98Å; Y209-Y211 HydrophobicContact CG-CE2 3.98Å; Y211-P219 HydrophobicContact CD1-CB 3.85Å; Y211-P219 HydrophobicContact CD1-CG 4.49Å; Y211-P219 HydrophobicContact CG-CB 4.41Å; Y211-I220 CarbonylContact C-O 3.47Å; Y211-I220 WeakPolarHBondContact CA-O 3.17Å; Y211-L221 HydrophobicContact CD1-CB 4.11Å; Y211-L221 HydrophobicContact CD1-CD1 4.35Å; Y211-L221 HydrophobicContact CD2-CD1 4.24Å; Y211-L221 HydrophobicContact CE1-CB 3.68Å; Y211-L221 HydrophobicContact CE1-CD1 3.99Å; Y211-L221 HydrophobicContact CE1-CG 4.44Å; Y211-L221 HydrophobicContact CE2-CD1 3.88Å; Y211-L221 HydrophobicContact CG-CD1 4.46Å; Y211-I256 VanDerWaalsContact O-CA 3.27Å; Y211-I256 WeakPolarHBondContact O-CA 3.44Å; Y211-F257 VanDerWaalsContact CB-CE1 3.4Å; Y211-F257 AromaticContact CD2-CE2 3.92Å; Y211-F257 HydrophobicContact CD2-CE2 3.92Å; Y211-F257 HydrophobicContact CD2-CZ 4.15Å; Y211-F257 HydrophobicContact CG-CE1 4.36Å; Y211-F257 HydrophobicContact CG-CE2 4.02Å; Y211-F257 AromaticContact CG-CZ 3.78Å; Y211-F257 HydrophobicContact CG-CZ 3.78Å; Y211-F257 PolarHBondContact N-O 2.74Å; Y211-F257 PolarHBondContact O-N 3.49Å
212K98.1Very high94.9Very high31 Ų3148.9 Ų48.914%0.13526%0.257CS..EExtended strand (participates in β ladder)trans-127.3131.6171.7-178.917181.5161.70111.5I220 L222 E249 L250 D254 R255 I256K212-I220 PolarHBondContact N-O 3.48Å; K212-I220 PolarHBondContact O-N 3.18Å; K212-L222 HydrophobicContact CB-CD1 3.96Å; K212-L222 HydrophobicContact CB-CD2 3.95Å; K212-L222 HydrophobicContact CB-CG 3.94Å; K212-E249 PolarHBondContact NZ-O 2.91Å; K212-L250 HydrophobicContact CD-CD2 3.32Å; K212-L250 HydrophobicContact CG-CD2 4.36Å; K212-D254 HydrophobicContact CD-CB 4.31Å; K212-D254 WeakPolarHBondContact CD-OD2 3.37Å; K212-D254 HydrophobicContact CG-CB 4.45Å; K212-D254 IonicContact NZ-OD2 3.16Å; K212-D254 PolarHBondContact NZ-OD2 3.28Å; K212-R255 CarbonylContact C-O 3.01Å; K212-R255 WeakPolarHBondContact CA-O 3.47Å; K212-I256 HydrophobicContact CB-CG2 4.27Å; K212-I256 HydrophobicContact CG-CG2 4.28Å
213Y97.4Very high96Very high27 Ų2747.5 Ų47.511%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-94.6135.9156.5-82.7-66.8000110P219 D254 R255 F257Y213-P219 HydrophobicContact CD1-CB 4.33Å; Y213-P219 HydrophobicContact CE1-CB 3.87Å; Y213-P219 HydrophobicContact CE1-CG 4.24Å; Y213-P219 HydrophobicContact CE2-CB 4.14Å; Y213-D254 WeakPolarHBondContact O-CA 3.17Å; Y213-R255 VanDerWaalsContact CG-NH2 3.27Å; Y213-R255 PolarHBondContact N-O 3Å; Y213-R255 PolarHBondContact O-N 2.94Å; Y213-F257 HydrophobicContact CD2-CD1 4.12Å; Y213-F257 AromaticContact CD2-CE1 3.54Å; Y213-F257 HydrophobicContact CD2-CE1 3.54Å; Y213-F257 HydrophobicContact CD2-CZ 4.48Å; Y213-F257 HydrophobicContact CE2-CD1 4.37Å; Y213-F257 AromaticContact CE2-CE1 3.53Å; Y213-F257 HydrophobicContact CE2-CE1 3.53Å; Y213-F257 HydrophobicContact CE2-CZ 4.05Å
214T96.2Very high96.6Very high36 Ų3650.1 Ų50.122%0.22126%0.256CS..  trans-136.9-157.3174.7-169.30000108.5Y216 I220 D254T214-Y216 PolarHBondContact O-N 2.68Å; T214-I220 HydrophobicContact CG2-CD1 3.86Å; T214-D254 WeakPolarHBondContact CA-OD1 3.27Å; T214-D254 WeakPolarHBondContact CB-OD1 3.34Å; T214-D254 PolarHBondContact OG1-OD1 3.4Å
215S93.6Very high96.8Very high114 Ų11450 Ų5080%0.79726%0.26SS*.SBendtrans-65.613.2173.166.20000114.8
216Y91.5Very high96.9Very high132 Ų13246.8 Ų46.852%0.51826%0.256SS..SBendtrans-108.2141178.4-169.4-104.6000110T214 D218T214-Y216 PolarHBondContact O-N 2.68Å; Y216-D218 HydrophobicContact CD1-CB 4.07Å; Y216-D218 WeakPolarHBondContact CD1-O 3.39Å; Y216-D218 HydrophobicContact CE1-CB 3.79Å; Y216-D218 PolarHBondContact O-N 2.88Å
217P89.9Confident96.9Very high107 Ų10754.2 Ų54.270%0.69528%0.284SS*.SBendtrans-62.6-37.1-173.6-25.235.1000114.8
218D93.6Very high96.7Very high37 Ų3758.3 Ų58.320%0.19831%0.305CS..SBendtrans-95148.1-176.5-57.7-46.4000111.8K145 Y216 I220K145-D218 HydrophobicContact CD-CB 4.29Å; K145-D218 VanDerWaalsContact CD-OD1 3.27Å; K145-D218 WeakPolarHBondContact CD-OD1 3.38Å; K145-D218 WeakPolarHBondContact CE-OD1 3.29Å; K145-D218 IonicContact NZ-OD1 2.72Å; K145-D218 PolarHBondContact NZ-OD1 2.97Å; K145-D218 VanDerWaalsContact NZ-OD1 3.12Å; K145-D218 IonicContact NZ-OD2 2.76Å; K145-D218 PolarHBondContact NZ-OD2 3.41Å; Y216-D218 HydrophobicContact CD1-CB 4.07Å; Y216-D218 WeakPolarHBondContact CD1-O 3.39Å; Y216-D218 HydrophobicContact CE1-CB 3.79Å; Y216-D218 PolarHBondContact O-N 2.88Å; D218-I220 PolarHBondContact O-N 3.41Å
219P96.3Very high96.5Very high16 Ų1658.3 Ų58.310%0.10431%0.305CS..PPolyproline II helixtrans-66.7134.6173.128.4-33000110.9A146 Y211 Y213 F257A146-P219 HydrophobicContact CB-CB 4.41Å; A146-P219 HydrophobicContact CB-CG 3.81Å; Y211-P219 HydrophobicContact CD1-CB 3.85Å; Y211-P219 HydrophobicContact CD1-CG 4.49Å; Y211-P219 HydrophobicContact CG-CB 4.41Å; Y213-P219 HydrophobicContact CD1-CB 4.33Å; Y213-P219 HydrophobicContact CE1-CB 3.87Å; Y213-P219 HydrophobicContact CE1-CG 4.24Å; Y213-P219 HydrophobicContact CE2-CB 4.14Å; P219-F257 HydrophobicContact CB-CE1 4.15Å; P219-F257 HydrophobicContact CB-CZ 3.93Å
220I97.4Very high96.2Very high71 Ų7160.5 Ų60.536%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-99.1122.7-179.5-56.7173.3000108.8Y211 K212 T214 D218 L222Y211-I220 CarbonylContact C-O 3.47Å; Y211-I220 WeakPolarHBondContact CA-O 3.17Å; K212-I220 PolarHBondContact N-O 3.48Å; K212-I220 PolarHBondContact O-N 3.18Å; T214-I220 HydrophobicContact CG2-CD1 3.86Å; D218-I220 PolarHBondContact O-N 3.41Å; I220-L222 PolarHBondContact O-N 3.47Å
221L98.4Very high95.8Very high70 Ų7069.9 Ų69.937%0.36636%0.359SS..EExtended strand (participates in β ladder)trans-69.8124.1176.2-178.466.5000110Y209 Y211 M223 K224Y209-L221 HydrophobicContact CD1-CD1 3.86Å; Y209-L221 HydrophobicContact CG-CD1 4.35Å; Y211-L221 HydrophobicContact CD1-CB 4.11Å; Y211-L221 HydrophobicContact CD1-CD1 4.35Å; Y211-L221 HydrophobicContact CD2-CD1 4.24Å; Y211-L221 HydrophobicContact CE1-CB 3.68Å; Y211-L221 HydrophobicContact CE1-CD1 3.99Å; Y211-L221 HydrophobicContact CE1-CG 4.44Å; Y211-L221 HydrophobicContact CE2-CD1 3.88Å; Y211-L221 HydrophobicContact CG-CD1 4.46Å; L221-M223 VanDerWaalsContact CD1-O 3.27Å; L221-M223 WeakPolarHBondContact CD1-O 3.08Å; L221-K224 HydrophobicContact CD2-CB 4.49Å; L221-K224 HydrophobicContact CD2-CD 4.45Å
222L98.4Very high95.3Very high30 Ų3072 Ų7216%0.15738%0.375CS..EExtended strand (participates in β ladder)trans-93.1-48.2174.2-59.8-173000111.4I184 I210 K212 I220 F248 I256I184-L222 HydrophobicContact CD1-CD1 3.68Å; I210-L222 HydrophobicContact CG2-CD1 4.46Å; I210-L222 WeakPolarHBondContact O-CB 3.4Å; I210-L222 PolarHBondContact O-N 3.18Å; K212-L222 HydrophobicContact CB-CD1 3.96Å; K212-L222 HydrophobicContact CB-CD2 3.95Å; K212-L222 HydrophobicContact CB-CG 3.94Å; I220-L222 PolarHBondContact O-N 3.47Å; L222-F248 HydrophobicContact CB-CD1 4.18Å; L222-F248 HydrophobicContact CB-CE1 3.8Å; L222-F248 HydrophobicContact CB-CE2 4.2Å; L222-F248 HydrophobicContact CB-CZ 3.83Å; L222-F248 HydrophobicContact CD1-CB 4.4Å; L222-F248 HydrophobicContact CD1-CD1 4.23Å; L222-F248 HydrophobicContact CD1-CD2 4.22Å; L222-F248 HydrophobicContact CD1-CG 4Å; L222-F248 HydrophobicContact CD2-CD1 3.8Å; L222-F248 HydrophobicContact CD2-CE1 4.07Å; L222-F248 HydrophobicContact CD2-CG 4.38Å; L222-F248 HydrophobicContact CG-CD1 4.3Å; L222-F248 HydrophobicContact CG-CE1 4.38Å; L222-F248 WeakPolarHBondContact O-CZ 3.49Å; L222-I256 HydrophobicContact CD1-CG2 4.41Å
223M98.6Very high94.7Very high24 Ų2479.6 Ų79.612%0.11841%0.408CS..EExtended strand (participates in β ladder)trans-146.6150.4-175.5-59.2176.7-84.900111.3I184 Y209 I210 L221 Q244 G245 G246 F248I184-M223 HydrophobicContact CB-CE 4.11Å; I184-M223 HydrophobicContact CG2-CE 4.31Å; Y209-M223 WeakPolarHBondContact CA-O 3.45Å; I210-M223 HydrophobicContact CB-CB 4.41Å; I210-M223 HydrophobicContact CB-CE 4.12Å; I210-M223 HydrophobicContact CD1-CE 3.51Å; I210-M223 HydrophobicContact CG1-CE 4.38Å; I210-M223 HydrophobicContact CG2-CE 4.04Å; I210-M223 PolarHBondContact N-O 2.85Å; I210-M223 PolarHBondContact O-N 2.91Å; L221-M223 VanDerWaalsContact CD1-O 3.27Å; L221-M223 WeakPolarHBondContact CD1-O 3.08Å; M223-Q244 VanDerWaalsContact CB-OE1 3.26Å; M223-G245 VanDerWaalsContact SD-C 3.51Å; M223-G246 PolarHBondContact SD-N 3.41Å; M223-G246 VanDerWaalsContact SD-N 3.43Å; M223-F248 HydrophobicContact CE-CD2 4.26Å; M223-F248 HydrophobicContact CE-CE2 3.57Å; M223-F248 HydrophobicContact CE-CZ 4.36Å; M223-F248 HydrophobicContact CG-CE2 3.63Å; M223-F248 HydrophobicContact CG-CZ 3.48Å; M223-F248 VanDerWaalsContact CG-CZ 3.48Å; M223-F248 HydrophobicContact SD-CE2 3.62Å; M223-F248 HydrophobicContact SD-CZ 4.08Å
224K98.4Very high94.2Very high146 Ų14685 Ų8564%0.63544%0.439SS*.EExtended strand (participates in β ladder)trans-138.5142.3167.873179.6-176.6-1790110.8Q208 Y209 L221 Q244Q208-K224 CarbonylContact O-C 3.59Å; Q208-K224 VanDerWaalsContact O-CA 3.27Å; Q208-K224 WeakPolarHBondContact O-CA 3.35Å; Y209-K224 HydrophobicContact CD1-CB 3.76Å; Y209-K224 HydrophobicContact CE1-CB 4.12Å; Y209-K224 HydrophobicContact CE1-CD 4.41Å; L221-K224 HydrophobicContact CD2-CB 4.49Å; L221-K224 HydrophobicContact CD2-CD 4.45Å; K224-Q244 PolarHBondContact O-OE1 3.28Å
225S98.4Very high93.9Very high33 Ų3384.3 Ų84.323%0.23144%0.437CS..EExtended strand (participates in β ladder)trans-134.2135.1172.5-176.10000109.1V207 Q208 I242V207-S225 WeakPolarHBondContact CA-O 3.25Å; Q208-S225 PolarHBondContact N-O 3.37Å; Q208-S225 PolarHBondContact O-N 2.84Å; S225-I242 WeakPolarHBondContact OG-CG2 3.3Å
226A97.9Very high93.8Very high64 Ų6485.6 Ų85.653%0.52943%0.43SS..EExtended strand (participates in β ladder)trans-132.3143.9-169.700000112M206 V207M206-A226 CarbonylContact O-C 3.54Å; M206-A226 VanDerWaalsContact O-CA 3.32Å; M206-A226 WeakPolarHBondContact O-CA 3.39Å; V207-A226 HydrophobicContact CB-CB 4.48Å; V207-A226 HydrophobicContact CG1-CB 4.14Å; V207-A226 HydrophobicContact CG2-CB 3.97Å
227R96.8Very high93.9Very high156 Ų15686.2 Ų86.259%0.58943%0.433SS*.EExtended strand (participates in β ladder)trans-133.7155.3169.9-65.4-66.2-174.2159.40.1109.4M206 Y240 I242M206-R227 HydrophobicContact CE-CB 4.02Å; M206-R227 PolarHBondContact N-O 3.32Å; M206-R227 PolarHBondContact O-N 2.98Å; R227-Y240 HydrophobicContact CB-CD1 4.47Å; R227-I242 HydrophobicContact CB-CD1 4.11Å; R227-I242 HydrophobicContact CG-CD1 3.89Å; R227-I242 HydrophobicContact CG-CG1 3.97Å
228N95.4Very high94.2Very high95 Ų9581.3 Ų81.351%0.50840%0.401SS..EExtended strand (participates in β ladder)trans-111.614916760.470.2000109.7K204 W231K204-N228 WeakPolarHBondContact O-CA 3.22Å; N228-W231 PolarHBondContact OD1-NE1 2.95Å
229S94.4Very high94.4Very high1 Ų183.7 Ų83.71%0.00741%0.414CS..  trans-66.2160.4172.5580000111K204 W231 Y240K204-S229 PolarHBondContact N-OG 2.97Å; K204-S229 PolarHBondContact O-N 3.46Å; S229-W231 PolarHBondContact O-NE1 2.85Å; S229-Y240 WeakPolarHBondContact CA-OH 2.99Å
230C91.8Very high94.4Very high69 Ų6985.4 Ų85.447%0.46642%0.418SS..  trans-59.4140.2171.1-172.60000110.2S232 A235 Y240C230-S232 VanDerWaalsContact C-N 3.34Å; C230-A235 HydrophobicContact CB-CB 4.25Å; C230-Y240 PolarHBondContact N-OH 2.91Å
231W90.7Very high94.5Very high198 Ų19885.1 Ų85.175%0.7542%0.423SS*.  trans-91.5-5.2-175.5-61.936.7000111.6N228 S229N228-W231 PolarHBondContact OD1-NE1 2.95Å; S229-W231 PolarHBondContact O-NE1 2.85Å
232S88.3Confident94.5Very high56 Ų5681.9 Ų81.939%0.39241%0.406SS..  trans-66.4137.4178.1-173.10000110.4C230 D234 A235C230-S232 VanDerWaalsContact C-N 3.34Å; S232-D234 PolarHBondContact O-N 3.35Å; S232-D234 PolarHBondContact OG-N 3.38Å; S232-D234 VanDerWaalsContact OG-N 3.16Å; S232-A235 WeakPolarHBondContact O-CB 3.42Å; S232-A235 PolarHBondContact O-N 3.47Å
233K85.6Confident94.5Very high190 Ų19085.7 Ų85.783%0.82642%0.419SS*.THydrogen-bonded Turntrans-69.3-20.2171.2-63.8-176.6179.3-177.60112.2A235K233-A235 PolarHBondContact O-N 3.01Å
234D87.4Confident94.5Very high141 Ų14185.5 Ų85.575%0.75442%0.418SS*.THydrogen-bonded Turntrans-84.73178.4-48.8-39.4000112.1S232 E236S232-D234 PolarHBondContact O-N 3.35Å; S232-D234 PolarHBondContact OG-N 3.38Å; S232-D234 VanDerWaalsContact OG-N 3.16Å; D234-E236 PolarHBondContact O-N 3.42Å
235A89.2Confident94.5Very high21 Ų2180 Ų8017%0.17440%0.402CS..  trans-72.1112.5176.100000109.9E194 C230 S232 K233E194-A235 WeakPolarHBondContact CB-O 3.39Å; E194-A235 WeakPolarHBondContact CG-O 3.28Å; C230-A235 HydrophobicContact CB-CB 4.25Å; S232-A235 WeakPolarHBondContact O-CB 3.42Å; S232-A235 PolarHBondContact O-N 3.47Å; K233-A235 PolarHBondContact O-N 3.01Å
236E91.6Very high94.5Very high141 Ų14179.2 Ų79.266%0.65940%0.399SS*.  trans-85.7-26.9180-64.3179.8-175.400113.4Q193 E194 D234Q193-E236 WeakPolarHBondContact CG-O 3.35Å; E194-E236 PolarHBondContact N-O 2.9Å; D234-E236 PolarHBondContact O-N 3.42Å
237Y94Very high94.5Very high145 Ų14580 Ų8057%0.56940%0.395SS*.EExtended strand (participates in β ladder)trans-157.3166.2-178.963-92.7000111F192 L239F192-Y237 CarbonylContact O-C 3.6Å; F192-Y237 VanDerWaalsContact O-CA 3.29Å; F192-Y237 WeakPolarHBondContact O-CA 3.46Å; F192-Y237 VanDerWaalsContact O-CB 3.3Å; F192-Y237 WeakPolarHBondContact O-CB 3.42Å; Y237-L239 HydrophobicContact CD2-CD1 4.34Å; Y237-L239 HydrophobicContact CD2-CD2 4.08Å; Y237-L239 HydrophobicContact CD2-CG 3.84Å; Y237-L239 HydrophobicContact CE2-CD1 3.95Å; Y237-L239 HydrophobicContact CE2-CG 3.9Å
238G95.2Very high94.6Very high3 Ų375.1 Ų75.13%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-133.912917800000112R191 F192R191-G238 WeakPolarHBondContact CA-O 3.36Å; F192-G238 PolarHBondContact N-O 3.23Å; F192-G238 VanDerWaalsContact N-O 3.09Å; F192-G238 PolarHBondContact O-N 3.42Å
239L97.5Very high94.7Very high88 Ų8874.1 Ų74.146%0.46137%0.37SS..EExtended strand (participates in β ladder)trans-123.9109176.3-52.1-175.4000108.8Y189 R191 Y237Y189-L239 HydrophobicContact CE2-CB 4.05Å; Y189-L239 WeakPolarHBondContact OH-CD2 3.39Å; R191-L239 HydrophobicContact CB-CD2 4.32Å; R191-L239 HydrophobicContact CG-CD2 3.61Å; Y237-L239 HydrophobicContact CD2-CD1 4.34Å; Y237-L239 HydrophobicContact CD2-CD2 4.08Å; Y237-L239 HydrophobicContact CD2-CG 3.84Å; Y237-L239 HydrophobicContact CE2-CD1 3.95Å; Y237-L239 HydrophobicContact CE2-CG 3.9Å
240Y98.1Very high94.8Very high51 Ų5174.1 Ų74.120%0.237%0.37CS..EExtended strand (participates in β ladder)trans-136.1101.2-175.7-58.1-92.4000111F190 F192 M206 R227 S229 C230F190-Y240 PolarHBondContact N-O 2.76Å; F190-Y240 PolarHBondContact O-N 3Å; F192-Y240 HydrophobicContact CE1-CD2 4.13Å; F192-Y240 HydrophobicContact CE1-CE2 4.25Å; F192-Y240 HydrophobicContact CZ-CD2 4.29Å; F192-Y240 AromaticContact CZ-CE2 3.94Å; F192-Y240 HydrophobicContact CZ-CE2 3.94Å; M206-Y240 HydrophobicContact CE-CD1 3.8Å; M206-Y240 HydrophobicContact CE-CD2 3.48Å; M206-Y240 VanDerWaalsContact CE-CD2 3.48Å; M206-Y240 HydrophobicContact CE-CE1 4.07Å; M206-Y240 HydrophobicContact CE-CE2 3.77Å; M206-Y240 HydrophobicContact CE-CG 3.5Å; M206-Y240 VanDerWaalsContact CE-CG 3.5Å; M206-Y240 HydrophobicContact SD-CD2 3.47Å; M206-Y240 WeakPolarHBondContact SD-CD2 3.42Å; M206-Y240 HydrophobicContact SD-CE2 4.19Å; M206-Y240 HydrophobicContact SD-CG 3.7Å; R227-Y240 HydrophobicContact CB-CD1 4.47Å; S229-Y240 WeakPolarHBondContact CA-OH 2.99Å; C230-Y240 PolarHBondContact N-OH 2.91Å
241S98.3Very high95.1Very high65 Ų6576.3 Ų76.346%0.45537%0.372SS..EExtended strand (participates in β ladder)trans-83.7123.3168.3-58.70000109.8Y189Y189-S241 VanDerWaalsContact CD2-OG 3.24Å; Y189-S241 WeakPolarHBondContact CD2-OG 3.38Å
242I98.6Very high95.4Very high3 Ų372.9 Ų72.92%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-111.5108.1175.4-58-175.8000107.8Q187 T188 F190 M206 Q208 S225 R227Q187-I242 CarbonylContact C-O 3.59Å; Q187-I242 VanDerWaalsContact CA-O 3.27Å; Q187-I242 WeakPolarHBondContact CA-O 3.06Å; T188-I242 PolarHBondContact N-O 2.9Å; T188-I242 PolarHBondContact O-N 3.01Å; F190-I242 HydrophobicContact CD2-CD1 4.07Å; F190-I242 HydrophobicContact CD2-CG1 4.32Å; F190-I242 HydrophobicContact CE2-CD1 3.77Å; F190-I242 HydrophobicContact CE2-CG1 4.32Å; M206-I242 HydrophobicContact CB-CD1 4.05Å; M206-I242 WeakPolarHBondContact O-CD1 3.33Å; Q208-I242 HydrophobicContact CB-CG2 3.99Å; Q208-I242 PolarHBondContact NE2-O 2.91Å; S225-I242 WeakPolarHBondContact OG-CG2 3.3Å; R227-I242 HydrophobicContact CB-CD1 4.11Å; R227-I242 HydrophobicContact CG-CD1 3.89Å; R227-I242 HydrophobicContact CG-CG1 3.97Å
243Y98.8Very high95.8Very high109 Ų10975 Ų7543%0.42737%0.369SS..EExtended strand (participates in β ladder)trans-104.3137169.5178.7-88.4000109.9Y183 Y185 S186 Q187 F274Y183-Y243 PolarHBondContact OH-OH 3.38Å; Y185-Y243 WeakPolarHBondContact CB-OH 3.47Å; Y185-Y243 AromaticContact CD2-CE2 3.99Å; Y185-Y243 HydrophobicContact CD2-CE2 3.99Å; Y185-Y243 HydrophobicContact CG-CE2 4.41Å; S186-Y243 WeakPolarHBondContact O-CA 3.17Å; Q187-Y243 HydrophobicContact CB-CD2 4.19Å; Y243-F274 HydrophobicContact CD2-CE2 4.34Å; Y243-F274 HydrophobicContact CE2-CE2 4.33Å
244Q98.6Very high96.5Very high20 Ų2066.1 Ų66.19%0.09333%0.33CS..EExtended strand (participates in β ladder)trans-147.2156.4166.778.6-168.7-57.100110.4Y185 S186 Q208 I210 M223 K224Y185-Q244 VanDerWaalsContact CA-O 3.25Å; Y185-Q244 WeakPolarHBondContact CA-O 2.97Å; S186-Q244 PolarHBondContact N-O 3.49Å; S186-Q244 PolarHBondContact O-N 2.91Å; S186-Q244 VanDerWaalsContact O-N 3.09Å; Q208-Q244 PolarHBondContact O-NE2 3.42Å; Q208-Q244 VanDerWaalsContact OE1-CG 3.29Å; I210-Q244 HydrophobicContact CD1-CG 3.76Å; M223-Q244 VanDerWaalsContact CB-OE1 3.26Å; K224-Q244 PolarHBondContact O-OE1 3.28Å
245G98.4Very high97Very high30 Ų3063.2 Ų63.231%0.30931%0.309SS..EExtended strand (participates in β ladder)trans-162.8159.8171.200000113.3I184 M223I184-G245 CarbonylContact O-C 3.5Å; I184-G245 WeakPolarHBondContact O-CA 3.34Å; M223-G245 VanDerWaalsContact SD-C 3.51Å
246G97.7Very high97.4Very high17 Ų1762.2 Ų62.218%0.17530%0.3CS..EExtended strand (participates in β ladder)trans-169.5164-174.600000113Y183 I184 M223Y183-G246 WeakPolarHBondContact CA-O 3.16Å; I184-G246 PolarHBondContact N-O 3.46Å; I184-G246 PolarHBondContact O-N 3.03Å; M223-G246 PolarHBondContact SD-N 3.41Å; M223-G246 VanDerWaalsContact SD-N 3.43Å
247L98Very high97.8Very high82 Ų8255.5 Ų55.543%0.42927%0.269SS..EExtended strand (participates in β ladder)trans-95.9126.7-176.8-169.273.8000111F181 Y182 V280F181-L247 HydrophobicContact CB-CD1 3.95Å; F181-L247 HydrophobicContact CB-CD2 4.41Å; F181-L247 HydrophobicContact CB-CG 4.18Å; F181-L247 HydrophobicContact CD1-CD2 4.46Å; F181-L247 HydrophobicContact CD1-CG 4.43Å; Y182-L247 WeakPolarHBondContact O-CA 3.45Å; L247-V280 HydrophobicContact CD1-CB 3.97Å; L247-V280 HydrophobicContact CD1-CG1 4.41Å; L247-V280 HydrophobicContact CD1-CG2 3.72Å
248F98.2Very high98Very high52 Ų5248.6 Ų48.623%0.22824%0.242CC..EExtended strand (participates in β ladder)trans-137.9141179.3-64.1-90.2000111.4F181 Y182 I184 L222 M223 L250F181-F248 WeakPolarHBondContact CA-O 3.27Å; Y182-F248 PolarHBondContact N-O 3.03Å; Y182-F248 PolarHBondContact O-N 3.5Å; I184-F248 HydrophobicContact CD1-CB 4.16Å; I184-F248 HydrophobicContact CD1-CD2 3.97Å; I184-F248 HydrophobicContact CD1-CG 4.37Å; L222-F248 HydrophobicContact CB-CD1 4.18Å; L222-F248 HydrophobicContact CB-CE1 3.8Å; L222-F248 HydrophobicContact CB-CE2 4.2Å; L222-F248 HydrophobicContact CB-CZ 3.83Å; L222-F248 HydrophobicContact CD1-CB 4.4Å; L222-F248 HydrophobicContact CD1-CD1 4.23Å; L222-F248 HydrophobicContact CD1-CD2 4.22Å; L222-F248 HydrophobicContact CD1-CG 4Å; L222-F248 HydrophobicContact CD2-CD1 3.8Å; L222-F248 HydrophobicContact CD2-CE1 4.07Å; L222-F248 HydrophobicContact CD2-CG 4.38Å; L222-F248 HydrophobicContact CG-CD1 4.3Å; L222-F248 HydrophobicContact CG-CE1 4.38Å; L222-F248 WeakPolarHBondContact O-CZ 3.49Å; M223-F248 HydrophobicContact CE-CD2 4.26Å; M223-F248 HydrophobicContact CE-CE2 3.57Å; M223-F248 HydrophobicContact CE-CZ 4.36Å; M223-F248 HydrophobicContact CG-CE2 3.63Å; M223-F248 HydrophobicContact CG-CZ 3.48Å; M223-F248 VanDerWaalsContact CG-CZ 3.48Å; M223-F248 HydrophobicContact SD-CE2 3.62Å; M223-F248 HydrophobicContact SD-CZ 4.08Å; F248-L250 HydrophobicContact CB-CD2 4.38Å
249E97.6Very high98.1Very high75 Ų7548.5 Ų48.535%0.3524%0.241SC..EExtended strand (participates in β ladder)trans-75.3124.8168.2-165.3-17517600109.7K179 G180 F181 K212K179-E249 WeakPolarHBondContact CE-OE1 3.32Å; K179-E249 IonicContact NZ-OE1 2.7Å; K179-E249 PolarHBondContact NZ-OE1 3.18Å; G180-E249 WeakPolarHBondContact O-CA 3.26Å; F181-E249 HydrophobicContact CD1-CB 3.93Å; F181-E249 HydrophobicContact CD1-CG 4.48Å; F181-E249 HydrophobicContact CE1-CB 3.72Å; F181-E249 HydrophobicContact CE1-CG 4.22Å; F181-E249 HydrophobicContact CZ-CB 4.4Å; F181-E249 HydrophobicContact CZ-CG 4.46Å; K212-E249 PolarHBondContact NZ-O 2.91Å
250L97.9Very high98.2Very high0 Ų044.3 Ų44.30%022%0.219CC..EExtended strand (participates in β ladder)trans-120.5140.3177.2-54.2-179.7000109.8I176 K179 G180 Y182 I184 K212 F248 D254 I256I176-L250 HydrophobicContact CD1-CD1 3.5Å; I176-L250 VanDerWaalsContact CD1-CD1 3.5Å; I176-L250 HydrophobicContact CG1-CB 4.01Å; I176-L250 HydrophobicContact CG1-CD1 3.59Å; I176-L250 HydrophobicContact CG1-CG 4.42Å; I176-L250 HydrophobicContact CG2-CB 4.23Å; K179-L250 WeakPolarHBondContact CA-O 3.42Å; G180-L250 PolarHBondContact N-O 3Å; G180-L250 VanDerWaalsContact N-O 3.08Å; G180-L250 PolarHBondContact O-N 2.99Å; Y182-L250 HydrophobicContact CD2-CB 3.83Å; Y182-L250 HydrophobicContact CD2-CD1 3.73Å; Y182-L250 HydrophobicContact CD2-CG 3.92Å; Y182-L250 HydrophobicContact CE2-CB 4.19Å; Y182-L250 HydrophobicContact CE2-CD1 4.5Å; Y182-L250 HydrophobicContact CG-CD1 3.78Å; Y182-L250 HydrophobicContact CG-CG 4.37Å; I184-L250 HydrophobicContact CD1-CD1 4.02Å; I184-L250 HydrophobicContact CD1-CD2 4.42Å; K212-L250 HydrophobicContact CD-CD2 3.32Å; K212-L250 HydrophobicContact CG-CD2 4.36Å; F248-L250 HydrophobicContact CB-CD2 4.38Å; L250-D254 HydrophobicContact CB-CB 4.35Å; L250-I256 HydrophobicContact CD1-CD1 4.34Å; L250-I256 HydrophobicContact CD1-CG2 4.02Å; L250-I256 HydrophobicContact CD2-CG2 4.13Å
251K97.8Very high98.1Very high116 Ų11643.4 Ų43.450%0.50422%0.219SC..  trans-88160.3172.6-61.9178.3-176.7178.30109.6I176 D253 D254I176-K251 WeakPolarHBondContact CG2-O 3.25Å; K251-D253 PolarHBondContact O-N 3.48Å; K251-D254 PolarHBondContact N-OD2 3.39Å; K251-D254 VanDerWaalsContact O-CB 3.26Å; K251-D254 WeakPolarHBondContact O-CB 3.36Å; K251-D254 PolarHBondContact O-N 2.98Å; K251-D254 VanDerWaalsContact O-N 3.09Å
252K97Very high98Very high125 Ų12542.9 Ų42.954%0.54321%0.211SC..THydrogen-bonded Turntrans-54.2138.8165.6-178.6174.8179.1-179.70109.5Q177 D254Q177-K252 WeakPolarHBondContact O-CD 3.37Å; Q177-K252 WeakPolarHBondContact O-CG 3.39Å; K252-D254 PolarHBondContact O-N 3.3Å
253D97.5Very high97.8Very high101 Ų10144 Ų4454%0.5422%0.216SC..THydrogen-bonded Turntrans67.53.8-176.6-51-48.1000115.4I176 K251I176-D253 PolarHBondContact O-N 2.82Å; K251-D253 PolarHBondContact O-N 3.48Å
254D98.4Very high97.5Very high4 Ų446 Ų462%0.02123%0.229CC..  trans-60146.4162.7-78.8-5.1000109I176 K212 Y213 T214 L250 K251 K252I176-D254 HydrophobicContact CG1-CB 4.28Å; I176-D254 WeakPolarHBondContact CG1-O 3.4Å; I176-D254 PolarHBondContact N-O 3.39Å; K212-D254 HydrophobicContact CD-CB 4.31Å; K212-D254 WeakPolarHBondContact CD-OD2 3.37Å; K212-D254 HydrophobicContact CG-CB 4.45Å; K212-D254 IonicContact NZ-OD2 3.16Å; K212-D254 PolarHBondContact NZ-OD2 3.28Å; Y213-D254 WeakPolarHBondContact O-CA 3.17Å; T214-D254 WeakPolarHBondContact CA-OD1 3.27Å; T214-D254 WeakPolarHBondContact CB-OD1 3.34Å; T214-D254 PolarHBondContact OG1-OD1 3.4Å; L250-D254 HydrophobicContact CB-CB 4.35Å; K251-D254 PolarHBondContact N-OD2 3.39Å; K251-D254 VanDerWaalsContact O-CB 3.26Å; K251-D254 WeakPolarHBondContact O-CB 3.36Å; K251-D254 PolarHBondContact O-N 2.98Å; K251-D254 VanDerWaalsContact O-N 3.09Å; K252-D254 PolarHBondContact O-N 3.3Å
255R98.4Very high97.4Very high79 Ų7946 Ų4630%0.29823%0.229SC..EExtended strand (participates in β ladder)trans-124.9128.8-178.7-50174.6-71153-5.4109.1E173 L174 V175 K212 Y213E173-R255 HydrophobicContact CB-CB 4.18Å; E173-R255 IonicContact OE1-NH1 3.82Å; E173-R255 WeakPolarHBondContact OE2-CD 2.99Å; E173-R255 IonicContact OE2-CZ 2.64Å; E173-R255 IonicContact OE2-NE 3.35Å; E173-R255 IonicContact OE2-NH1 2.73Å; E173-R255 PolarHBondContact OE2-NH1 3.34Å; L174-R255 WeakPolarHBondContact O-CA 3.46Å; V175-R255 HydrophobicContact CG1-CG 4.33Å; V175-R255 HydrophobicContact CG2-CG 4.13Å; K212-R255 CarbonylContact C-O 3.01Å; K212-R255 WeakPolarHBondContact CA-O 3.47Å; Y213-R255 VanDerWaalsContact CG-NH2 3.27Å; Y213-R255 PolarHBondContact N-O 3Å; Y213-R255 PolarHBondContact O-N 2.94Å
256I98.7Very high97.3Very high0 Ų045.6 Ų45.60%022%0.22CC..EExtended strand (participates in β ladder)trans-116.7142.6179.759.3174.6000110.5E173 L174 I176 I184 Y211 K212 L222 L250 F275 A277E173-I256 CarbonylContact C-O 3.54Å; E173-I256 VanDerWaalsContact CA-O 3.28Å; E173-I256 WeakPolarHBondContact CA-O 3.25Å; L174-I256 HydrophobicContact CB-CD1 4.24Å; L174-I256 HydrophobicContact CB-CG1 3.74Å; L174-I256 HydrophobicContact CD1-CD1 4.38Å; L174-I256 PolarHBondContact N-O 2.04Å; L174-I256 PolarHBondContact O-N 3.37Å; I176-I256 HydrophobicContact CD1-CD1 4.47Å; I184-I256 HydrophobicContact CD1-CD1 3.97Å; I184-I256 HydrophobicContact CD1-CG2 4.19Å; I184-I256 HydrophobicContact CG1-CD1 3.96Å; I184-I256 HydrophobicContact CG2-CD1 3.9Å; Y211-I256 VanDerWaalsContact O-CA 3.27Å; Y211-I256 WeakPolarHBondContact O-CA 3.44Å; K212-I256 HydrophobicContact CB-CG2 4.27Å; K212-I256 HydrophobicContact CG-CG2 4.28Å; L222-I256 HydrophobicContact CD1-CG2 4.41Å; L250-I256 HydrophobicContact CD1-CD1 4.34Å; L250-I256 HydrophobicContact CD1-CG2 4.02Å; L250-I256 HydrophobicContact CD2-CG2 4.13Å; I256-F275 HydrophobicContact CB-CZ 4.19Å; I256-F275 HydrophobicContact CD1-CZ 3.79Å; I256-F275 HydrophobicContact CG1-CE1 4.21Å; I256-F275 HydrophobicContact CG1-CZ 3.73Å; I256-A277 HydrophobicContact CD1-CB 3.99Å
257F98.6Very high97.2Very high0 Ų045.7 Ų45.70%022%0.217CC..EExtended strand (participates in β ladder)trans-150.3163-178.465.7-86.6000112.5A146 K150 E173 I210 Y211 Y213 P219A146-F257 HydrophobicContact CB-CE2 4.26Å; A146-F257 HydrophobicContact CB-CZ 4.15Å; K150-F257 HydrophobicContact CB-CD2 4.16Å; K150-F257 HydrophobicContact CB-CE2 4.33Å; K150-F257 HydrophobicContact CD-CB 3.99Å; K150-F257 HydrophobicContact CD-CD1 4.43Å; K150-F257 HydrophobicContact CD-CD2 3.43Å; K150-F257 VanDerWaalsContact CD-CD2 3.43Å; K150-F257 HydrophobicContact CD-CE2 3.92Å; K150-F257 HydrophobicContact CD-CG 3.71Å; K150-F257 HydrophobicContact CG-CB 4.35Å; K150-F257 HydrophobicContact CG-CD2 3.64Å; K150-F257 HydrophobicContact CG-CE2 4.24Å; K150-F257 HydrophobicContact CG-CG 4.25Å; E173-F257 HydrophobicContact CB-CB 4.46Å; E173-F257 HydrophobicContact CG-CB 3.87Å; E173-F257 HydrophobicContact CG-CD1 4.27Å; E173-F257 HydrophobicContact CG-CG 4.35Å; I210-F257 WeakPolarHBondContact CA-O 3.48Å; Y211-F257 VanDerWaalsContact CB-CE1 3.4Å; Y211-F257 AromaticContact CD2-CE2 3.92Å; Y211-F257 HydrophobicContact CD2-CE2 3.92Å; Y211-F257 HydrophobicContact CD2-CZ 4.15Å; Y211-F257 HydrophobicContact CG-CE1 4.36Å; Y211-F257 HydrophobicContact CG-CE2 4.02Å; Y211-F257 AromaticContact CG-CZ 3.78Å; Y211-F257 HydrophobicContact CG-CZ 3.78Å; Y211-F257 PolarHBondContact N-O 2.74Å; Y211-F257 PolarHBondContact O-N 3.49Å; Y213-F257 HydrophobicContact CD2-CD1 4.12Å; Y213-F257 AromaticContact CD2-CE1 3.54Å; Y213-F257 HydrophobicContact CD2-CE1 3.54Å; Y213-F257 HydrophobicContact CD2-CZ 4.48Å; Y213-F257 HydrophobicContact CE2-CD1 4.37Å; Y213-F257 AromaticContact CE2-CE1 3.53Å; Y213-F257 HydrophobicContact CE2-CE1 3.53Å; Y213-F257 HydrophobicContact CE2-CZ 4.05Å; P219-F257 HydrophobicContact CB-CE1 4.15Å; P219-F257 HydrophobicContact CB-CZ 3.93Å
258V98.6Very high97Very high0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-105.2135.9177.7-1770000109.3K150 I151 W154 S186 T188 Q208 Y209 I210 V260 F275K150-V258 WeakPolarHBondContact CA-O 3.28Å; I151-V258 HydrophobicContact CD1-CG1 4.08Å; I151-V258 PolarHBondContact N-O 3.33Å; W154-V258 HydrophobicContact CZ2-CB 4.08Å; W154-V258 HydrophobicContact CZ2-CG1 4.47Å; W154-V258 HydrophobicContact CZ2-CG2 4.21Å; S186-V258 WeakPolarHBondContact OG-CG2 3.34Å; T188-V258 HydrophobicContact CG2-CG1 4.18Å; Q208-V258 HydrophobicContact CG-CG1 3.95Å; Y209-V258 CarbonylContact O-C 3.55Å; Y209-V258 WeakPolarHBondContact O-CA 3.38Å; I210-V258 HydrophobicContact CG1-CG2 4.47Å; V258-V260 HydrophobicContact CG1-CG1 4.37Å; V258-F275 HydrophobicContact CG2-CB 4.09Å; V258-F275 HydrophobicContact CG2-CD1 3.95Å; V258-F275 HydrophobicContact CG2-CD2 3.48Å; V258-F275 VanDerWaalsContact CG2-CD2 3.48Å; V258-F275 HydrophobicContact CG2-CE1 4.24Å; V258-F275 HydrophobicContact CG2-CE2 3.83Å; V258-F275 HydrophobicContact CG2-CG 3.58Å; V258-F275 HydrophobicContact CG2-CZ 4.19Å
259S98.2Very high96.8Very high1 Ų142.7 Ų42.71%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-128.5147.3171.7-1760000109.8L147 R149 K150 Y209L147-S259 WeakPolarHBondContact O-CB 3.2Å; L147-S259 PolarHBondContact O-OG 3.45Å; R149-S259 PolarHBondContact N-OG 2.95Å; R149-S259 VanDerWaalsContact N-OG 3.08Å; R149-S259 VanDerWaalsContact O-CA 3.32Å; R149-S259 WeakPolarHBondContact O-CA 3.48Å; R149-S259 PolarHBondContact O-OG 3.48Å; K150-S259 PolarHBondContact N-OG 3.2Å; Y209-S259 WeakPolarHBondContact CD2-O 3.49Å; Y209-S259 PolarHBondContact N-O 2.88Å; Y209-S259 PolarHBondContact O-N 3.22Å
260V98.2Very high96.6Very high1 Ų141.8 Ų41.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-135.6149.7-176.8-65.90000112.6G148 R149 I151 T188 F190 V207 Q208 V258 E263 I266G148-V260 CarbonylContact C-O 3.49Å; G148-V260 WeakPolarHBondContact CA-O 3.38Å; R149-V260 PolarHBondContact N-O 3.39Å; R149-V260 PolarHBondContact O-N 3.2Å; I151-V260 HydrophobicContact CD1-CG1 3.84Å; I151-V260 HydrophobicContact CD1-CG2 4.06Å; I151-V260 HydrophobicContact CG1-CG1 4.49Å; I151-V260 HydrophobicContact CG1-CG2 4.02Å; T188-V260 HydrophobicContact CG2-CG1 3.85Å; F190-V260 HydrophobicContact CZ-CB 4.18Å; F190-V260 HydrophobicContact CZ-CG1 4.32Å; V207-V260 VanDerWaalsContact O-CA 3.25Å; V207-V260 WeakPolarHBondContact O-CA 3.24Å; Q208-V260 HydrophobicContact CB-CG1 4.49Å; Q208-V260 HydrophobicContact CG-CG1 4.37Å; V258-V260 HydrophobicContact CG1-CG1 4.37Å; V260-E263 HydrophobicContact CG2-CB 4.02Å; V260-E263 HydrophobicContact CG2-CG 4.25Å; V260-I266 HydrophobicContact CG1-CD1 4.47Å; V260-I266 HydrophobicContact CG2-CD1 4.43Å; V260-I266 HydrophobicContact CG2-CG1 4.02Å
261T96.8Very high96.3Very high31 Ų3147.6 Ų47.619%0.1923%0.226CC..SBendtrans-72.8162.1157.957.40000109.7F190 Q205 V207 Y209 E263F190-T261 VanDerWaalsContact CE1-O 3.26Å; F190-T261 WeakPolarHBondContact CE1-O 3.4Å; Q205-T261 WeakPolarHBondContact O-CB 3.36Å; Q205-T261 PolarHBondContact O-OG1 2.9Å; V207-T261 HydrophobicContact CB-CG2 4.05Å; V207-T261 HydrophobicContact CG2-CG2 4.15Å; V207-T261 PolarHBondContact N-OG1 3.41Å; V207-T261 PolarHBondContact O-N 3.4Å; Y209-T261 HydrophobicContact CE2-CG2 4.18Å; T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 PolarHBondContact O-N 3.4Å; T261-E263 VanDerWaalsContact O-N 3.09Å
262N95.1Very high96.2Very high54 Ų5442.9 Ų42.929%0.28921%0.208SC..SBendtrans47.344.8172.8-60.5-58.6000114.7F190 Q205 H264 L265F190-N262 HydrophobicContact CE1-CB 4.38Å; Q205-N262 PolarHBondContact O-ND2 2.91Å; N262-H264 PolarHBondContact O-N 2.97Å; N262-L265 HydrophobicContact CB-CD1 3.71Å; N262-L265 HydrophobicContact CB-CG 4.05Å; N262-L265 WeakPolarHBondContact O-CB 3.38Å; N262-L265 PolarHBondContact O-N 3.35Å
263E94.9Very high96.2Very high28 Ų2837 Ų3713%0.13118%0.182CC..G310 helixtrans-49.7-34.2-177.6-172.8-163.6152.900113.3N134 R149 V260 T261 L265 I266N134-E263 PolarHBondContact ND2-OE1 3.02Å; N134-E263 PolarHBondContact OD1-OE1 2.85Å; R149-E263 HydrophobicContact CB-CB 4.3Å; R149-E263 WeakPolarHBondContact CB-OE2 3.28Å; R149-E263 WeakPolarHBondContact CD-OE2 3.47Å; R149-E263 IonicContact CZ-OE2 3.28Å; R149-E263 VanDerWaalsContact CZ-OE2 3.28Å; R149-E263 IonicContact NE-OE2 3.07Å; R149-E263 PolarHBondContact NE-OE2 3.04Å; R149-E263 IonicContact NH2-OE2 3.18Å; R149-E263 PolarHBondContact NH2-OE2 2.92Å; V260-E263 HydrophobicContact CG2-CB 4.02Å; V260-E263 HydrophobicContact CG2-CG 4.25Å; T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 PolarHBondContact O-N 3.4Å; T261-E263 VanDerWaalsContact O-N 3.09Å; E263-L265 PolarHBondContact O-N 3.04Å; E263-L265 VanDerWaalsContact O-N 3.12Å; E263-I266 WeakPolarHBondContact O-CB 3.36Å; E263-I266 WeakPolarHBondContact O-CG1 3.41Å; E263-I266 PolarHBondContact O-N 3.48Å
264H93.1Very high96.2Very high149 Ų14933.7 Ų33.769%0.6916%0.163SC*.G310 helixtrans-64.3-13178.563.9-80.2000114.5N262N262-H264 PolarHBondContact O-N 2.97Å
265L95.3Very high96.2Very high20 Ų2033.5 Ų33.511%0.10516%0.162CC..G310 helixtrans-990.1176.1-49.8179.6000112.4F190 R191 F192 K204 N262 E263F190-L265 CarbonylContact C-O 3.55Å; F190-L265 WeakPolarHBondContact CA-O 3.37Å; F190-L265 HydrophobicContact CD1-CB 4.3Å; R191-L265 PolarHBondContact N-O 3.3Å; F192-L265 HydrophobicContact CB-CB 4.42Å; F192-L265 HydrophobicContact CB-CD2 3.75Å; F192-L265 HydrophobicContact CB-CG 4.45Å; F192-L265 HydrophobicContact CD1-CB 4.09Å; F192-L265 HydrophobicContact CD1-CD1 3.76Å; F192-L265 HydrophobicContact CD1-CD2 4.46Å; F192-L265 HydrophobicContact CD1-CG 4.32Å; F192-L265 HydrophobicContact CE1-CD1 4.22Å; F192-L265 HydrophobicContact CG-CD1 4.21Å; F192-L265 HydrophobicContact CG-CD2 4.27Å; K204-L265 HydrophobicContact CD-CD1 3.74Å; N262-L265 HydrophobicContact CB-CD1 3.71Å; N262-L265 HydrophobicContact CB-CG 4.05Å; N262-L265 WeakPolarHBondContact O-CB 3.38Å; N262-L265 PolarHBondContact O-N 3.35Å; E263-L265 PolarHBondContact O-N 3.04Å; E263-L265 VanDerWaalsContact O-N 3.12Å
266I96.5Very high96.2Very high23 Ų2329.7 Ų29.712%0.11815%0.148CC..EExtended strand (participates in β ladder)trans-78.6126.9179.6-60.6-61000109.8Y189 F190 V260 E263 M268Y189-I266 CarbonylContact O-C 3.55Å; Y189-I266 WeakPolarHBondContact O-CA 3.47Å; F190-I266 HydrophobicContact CD1-CD1 3.54Å; F190-I266 HydrophobicContact CD2-CD1 3.78Å; F190-I266 HydrophobicContact CE1-CD1 3.41Å; F190-I266 VanDerWaalsContact CE1-CD1 3.41Å; F190-I266 HydrophobicContact CE1-CG1 4.36Å; F190-I266 HydrophobicContact CE2-CD1 3.64Å; F190-I266 HydrophobicContact CG-CD1 3.74Å; F190-I266 HydrophobicContact CZ-CD1 3.47Å; F190-I266 VanDerWaalsContact CZ-CD1 3.47Å; V260-I266 HydrophobicContact CG1-CD1 4.47Å; V260-I266 HydrophobicContact CG2-CD1 4.43Å; V260-I266 HydrophobicContact CG2-CG1 4.02Å; E263-I266 WeakPolarHBondContact O-CB 3.36Å; E263-I266 WeakPolarHBondContact O-CG1 3.41Å; E263-I266 PolarHBondContact O-N 3.48Å; I266-M268 HydrophobicContact CG2-CG 4.06Å; I266-M268 HydrophobicContact CG2-SD 3.59Å; I266-M268 VanDerWaalsContact CG2-SD 3.59Å
267D96Very high96.2Very high18 Ų1829.8 Ų29.810%0.09615%0.149CC..EExtended strand (participates in β ladder)trans-84.1120165.2-162.4-38.2000109.6Y189 R191 D269 S273Y189-D267 HydrophobicContact CD1-CB 3.65Å; Y189-D267 HydrophobicContact CE1-CB 4.37Å; Y189-D267 HydrophobicContact CG-CB 4.35Å; Y189-D267 PolarHBondContact O-N 2.98Å; R191-D267 HydrophobicContact CB-CB 4.19Å; R191-D267 IonicContact CZ-OD2 2.65Å; R191-D267 IonicContact NE-OD2 2.72Å; R191-D267 PolarHBondContact NE-OD2 3.24Å; R191-D267 IonicContact NH2-OD2 2.9Å; R191-D267 PolarHBondContact NH2-OD2 2.96Å; D267-D269 WeakPolarHBondContact OD1-CB 3.38Å; D267-D269 VanDerWaalsContact OD1-CG 3.31Å; D267-D269 PolarHBondContact OD1-N 3.3Å; D267-S273 VanDerWaalsContact O-CB 3.31Å; D267-S273 WeakPolarHBondContact O-CB 3.46Å; D267-S273 PolarHBondContact O-OG 3.35Å
268M94.9Very high96.2Very high32 Ų3233.8 Ų33.816%0.15817%0.166CC..  trans-98.819-178.1-69-61.5-74.700112.8G128 T129 I151 S153 W154 I266G128-M268 CarbonylContact C-O 3.52Å; G128-M268 VanDerWaalsContact CA-CE 3.46Å; G128-M268 WeakPolarHBondContact CA-O 3.43Å; T129-M268 PolarHBondContact N-O 3.47Å; I151-M268 HydrophobicContact CG2-CE 3.68Å; I151-M268 HydrophobicContact CG2-SD 4.29Å; S153-M268 WeakPolarHBondContact OG-CE 3.45Å; W154-M268 HydrophobicContact CE3-CE 3.93Å; W154-M268 HydrophobicContact CH2-CE 4.39Å; W154-M268 HydrophobicContact CZ3-CE 3.85Å; I266-M268 HydrophobicContact CG2-CG 4.06Å; I266-M268 HydrophobicContact CG2-SD 3.59Å; I266-M268 VanDerWaalsContact CG2-SD 3.59Å
269D93.1Very high96.1Very high39 Ų3936.2 Ų36.221%0.20918%0.179CC..  trans-57139.2164.7-76.4-7000110R130 D267 E271 A272 S273R130-D269 WeakPolarHBondContact CD-OD1 3.39Å; R130-D269 WeakPolarHBondContact CG-OD1 3.41Å; R130-D269 IonicContact NE-OD1 3.93Å; R130-D269 PolarHBondContact NE-OD1 3.41Å; R130-D269 VanDerWaalsContact NE-OD1 3.15Å; R130-D269 IonicContact NE-OD2 2.82Å; D267-D269 WeakPolarHBondContact OD1-CB 3.38Å; D267-D269 VanDerWaalsContact OD1-CG 3.31Å; D267-D269 PolarHBondContact OD1-N 3.3Å; D269-E271 VanDerWaalsContact C-N 3.28Å; D269-E271 PolarHBondContact O-N 3.48Å; D269-A272 HydrophobicContact CB-CB 4.2Å; D269-A272 WeakPolarHBondContact O-CB 3.49Å; D269-A272 PolarHBondContact O-N 2.98Å; D269-S273 PolarHBondContact O-N 3.32Å; D269-S273 VanDerWaalsContact O-N 3.09Å
270H92.6Very high95.8Very high56 Ų5639.5 Ų39.526%0.25920%0.199SC..THydrogen-bonded Turntrans-66.8-27.4-164.163.3-80.2000113.9T127 H161T127-H270 WeakPolarHBondContact CB-O 3.44Å; T127-H270 HydrophobicContact CG2-CB 4.32Å; T127-H270 VanDerWaalsContact CG2-O 3.3Å; T127-H270 WeakPolarHBondContact CG2-O 3.33Å; H161-H270 AromaticContact CD2-CD2 3.49Å; H161-H270 PolarHBondContact CD2-CD2 3.49Å; H161-H270 VanDerWaalsContact CD2-CD2 3.49Å; H161-H270 AromaticContact CD2-NE2 3.35Å; H161-H270 PolarHBondContact CD2-NE2 3.01Å; H161-H270 VanDerWaalsContact CD2-NE2 3.35Å; H161-H270 AromaticContact CG-CD2 3.47Å; H161-H270 VanDerWaalsContact CG-CD2 3.47Å; H161-H270 AromaticContact CG-NE2 3.71Å; H161-H270 AromaticContact NE2-NE2 3.66Å
271E92.9Very high94.4Very high123 Ų12342.3 Ų42.358%0.57523%0.228SC*.THydrogen-bonded Turntrans-81.8-20.9175.1-48.492.414600112.3D269D269-E271 VanDerWaalsContact C-N 3.28Å; D269-E271 PolarHBondContact O-N 3.48Å
272A95.1Very high94.3Very high17 Ų1742.9 Ų42.914%0.1423%0.23CC..THydrogen-bonded Turntrans-91.1-46.7-172.300000112.4Q187 Y189 D269Q187-A272 WeakPolarHBondContact CG-O 3.49Å; Q187-A272 PolarHBondContact NE2-O 3.07Å; Y189-A272 HydrophobicContact CD1-CB 3.67Å; Y189-A272 HydrophobicContact CG-CB 4.14Å; D269-A272 HydrophobicContact CB-CB 4.2Å; D269-A272 WeakPolarHBondContact O-CB 3.49Å; D269-A272 PolarHBondContact O-N 2.98Å
273S97.3Very high94.2Very high0 Ų042.3 Ų42.30%023%0.227CC..SBendtrans-123.4126-178.7-65.70000111.4G128 Q187 Y189 D267 D269G128-S273 PolarHBondContact N-O 2.96Å; Q187-S273 CarbonylContact O-C 3.6Å; Q187-S273 VanDerWaalsContact O-CA 3.27Å; Q187-S273 WeakPolarHBondContact O-CA 3.29Å; Y189-S273 PolarHBondContact N-OG 3.09Å; D267-S273 VanDerWaalsContact O-CB 3.31Å; D267-S273 WeakPolarHBondContact O-CB 3.46Å; D267-S273 PolarHBondContact O-OG 3.35Å; D269-S273 PolarHBondContact O-N 3.32Å; D269-S273 VanDerWaalsContact O-N 3.09Å
274F97.8Very high94.2Very high32 Ų3243.1 Ų43.114%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-154.1162.3-176.751.7-101.4000112.4H125 I126 T127 Y185 S186 Q187 Y243H125-F274 AromaticContact CE1-CD2 3.61Å; H125-F274 AromaticContact CE1-CG 3.68Å; H125-F274 AromaticContact NE2-CG 3.96Å; I126-F274 CarbonylContact O-C 3.45Å; I126-F274 VanDerWaalsContact O-CA 3.28Å; I126-F274 WeakPolarHBondContact O-CA 3.33Å; I126-F274 WeakPolarHBondContact O-CB 3.39Å; T127-F274 HydrophobicContact CG2-CB 4.13Å; Y185-F274 HydrophobicContact CD2-CD2 4.35Å; Y185-F274 HydrophobicContact CD2-CE2 4.23Å; Y185-F274 HydrophobicContact CE2-CD2 4.09Å; Y185-F274 HydrophobicContact CE2-CE2 4.18Å; S186-F274 CarbonylContact C-O 3.59Å; S186-F274 WeakPolarHBondContact CA-O 3.3Å; S186-F274 PolarHBondContact OG-O 3.14Å; Q187-F274 HydrophobicContact CB-CD1 4.13Å; Q187-F274 HydrophobicContact CB-CD2 3.95Å; Q187-F274 HydrophobicContact CB-CE1 3.69Å; Q187-F274 HydrophobicContact CB-CE2 3.5Å; Q187-F274 VanDerWaalsContact CB-CE2 3.5Å; Q187-F274 HydrophobicContact CB-CG 4.25Å; Q187-F274 HydrophobicContact CB-CZ 3.35Å; Q187-F274 HydrophobicContact CG-CE1 4.28Å; Q187-F274 HydrophobicContact CG-CZ 4.15Å; Q187-F274 PolarHBondContact N-O 2.98Å; Q187-F274 PolarHBondContact O-N 3.4Å; Q187-F274 VanDerWaalsContact O-O 3.09Å; Y243-F274 HydrophobicContact CD2-CE2 4.34Å; Y243-F274 HydrophobicContact CE2-CE2 4.33Å
275F98.6Very high94.3Very high0 Ų036.9 Ų36.90%021%0.206CC..EExtended strand (participates in β ladder)trans-140.5140.2179.6179.7-140.9000109.8I126 W154 L174 I184 Y185 I256 V258I126-F275 HydrophobicContact CD1-CB 4.39Å; I126-F275 HydrophobicContact CD1-CD1 3.99Å; I126-F275 HydrophobicContact CG1-CB 3.95Å; I126-F275 HydrophobicContact CG1-CD1 4.38Å; I126-F275 VanDerWaalsContact CG1-O 3.26Å; I126-F275 WeakPolarHBondContact CG1-O 3.44Å; I126-F275 PolarHBondContact N-O 3.43Å; I126-F275 PolarHBondContact O-N 2.95Å; W154-F275 HydrophobicContact CD2-CB 4.41Å; W154-F275 HydrophobicContact CH2-CB 4.31Å; W154-F275 HydrophobicContact CZ2-CB 4.04Å; L174-F275 HydrophobicContact CB-CE1 4.27Å; L174-F275 HydrophobicContact CD1-CD1 3.87Å; L174-F275 HydrophobicContact CD1-CE1 3.65Å; L174-F275 HydrophobicContact CD1-CG 4.48Å; L174-F275 HydrophobicContact CD1-CZ 4.09Å; L174-F275 HydrophobicContact CG-CD1 4.14Å; L174-F275 HydrophobicContact CG-CE1 3.86Å; I184-F275 HydrophobicContact CG2-CE2 3.61Å; I184-F275 HydrophobicContact CG2-CZ 4.17Å; Y185-F275 WeakPolarHBondContact O-CD2 3.34Å; I256-F275 HydrophobicContact CB-CZ 4.19Å; I256-F275 HydrophobicContact CD1-CZ 3.79Å; I256-F275 HydrophobicContact CG1-CE1 4.21Å; I256-F275 HydrophobicContact CG1-CZ 3.73Å; V258-F275 HydrophobicContact CG2-CB 4.09Å; V258-F275 HydrophobicContact CG2-CD1 3.95Å; V258-F275 HydrophobicContact CG2-CD2 3.48Å; V258-F275 VanDerWaalsContact CG2-CD2 3.48Å; V258-F275 HydrophobicContact CG2-CE1 4.24Å; V258-F275 HydrophobicContact CG2-CE2 3.83Å; V258-F275 HydrophobicContact CG2-CG 3.58Å; V258-F275 HydrophobicContact CG2-CZ 4.19Å
276G98.3Very high94.2Very high0 Ų037.9 Ų37.90%021%0.212CC..EExtended strand (participates in β ladder)trans-159.3165.2-179.100000113.9A124 Y185A124-G276 CarbonylContact O-C 3.53Å; A124-G276 WeakPolarHBondContact O-CA 3.27Å; Y185-G276 PolarHBondContact N-O 3.39Å; Y185-G276 PolarHBondContact O-N 3Å; Y185-G276 VanDerWaalsContact O-O 3.12Å
277A98.6Very high94Very high1 Ų138.9 Ų38.91%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-154.3149.6174.300000110.5A123 A124 L174 Y182 Y183 I184 I256A123-A277 CarbonylContact C-O 3.56Å; A123-A277 VanDerWaalsContact CA-O 3.28Å; A123-A277 WeakPolarHBondContact CA-O 3.37Å; A124-A277 PolarHBondContact N-O 3.15Å; A124-A277 PolarHBondContact O-N 3.37Å; L174-A277 HydrophobicContact CD1-CB 4.45Å; Y182-A277 HydrophobicContact CD1-CB 4.32Å; Y183-A277 WeakPolarHBondContact O-CA 3.27Å; I184-A277 HydrophobicContact CG1-CB 4.3Å; I256-A277 HydrophobicContact CD1-CB 3.99Å
278F98Very high93.9Very high85 Ų8540.4 Ų40.437%0.37323%0.227SC..EExtended strand (participates in β ladder)trans-143.3148.7169.561.9-91000111.3V122 A123 Y182 Y183 Y185 V280V122-F278 WeakPolarHBondContact O-CA 3.49Å; A123-F278 HydrophobicContact CB-CB 3.7Å; Y182-F278 VanDerWaalsContact CA-O 3.32Å; Y182-F278 WeakPolarHBondContact CA-O 3.38Å; Y183-F278 HydrophobicContact CD1-CD1 4.24Å; Y183-F278 AromaticContact CD1-CE1 3.39Å; Y183-F278 HydrophobicContact CD1-CE1 3.39Å; Y183-F278 AromaticContact CD1-CZ 3.73Å; Y183-F278 HydrophobicContact CD1-CZ 3.73Å; Y183-F278 HydrophobicContact CE1-CE1 4.27Å; Y183-F278 AromaticContact CG-CE1 3.96Å; Y183-F278 HydrophobicContact CG-CE1 3.96Å; Y183-F278 AromaticContact CG-CZ 3.87Å; Y183-F278 HydrophobicContact CG-CZ 3.87Å; Y183-F278 PolarHBondContact N-O 3.34Å; Y183-F278 PolarHBondContact O-N 3.14Å; Y183-F278 VanDerWaalsContact O-N 3.07Å; Y185-F278 HydrophobicContact CE1-CD1 4.25Å; Y185-F278 HydrophobicContact CE1-CE1 4.46Å; F278-V280 HydrophobicContact CD2-CG2 4Å; F278-V280 HydrophobicContact CE2-CG2 3.71Å
279L96.4Very high93.8Very high50 Ų5041.1 Ų41.126%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-73.5131.2177.7-175.668000110.2V122 Y182V122-L279 HydrophobicContact CB-CB 3.72Å; V122-L279 HydrophobicContact CB-CD2 4.04Å; V122-L279 HydrophobicContact CG1-CB 4.04Å; V122-L279 HydrophobicContact CG1-CD2 4.5Å; V122-L279 HydrophobicContact CG2-CD2 3.95Å; V122-L279 PolarHBondContact O-N 3.37Å; Y182-L279 HydrophobicContact CD1-CB 4.47Å; Y182-L279 HydrophobicContact CD2-CD1 4.17Å; Y182-L279 HydrophobicContact CE1-CB 4.08Å; Y182-L279 HydrophobicContact CE1-CD1 4.39Å; Y182-L279 HydrophobicContact CE2-CD1 3.72Å
280V91.9Very high93.9Very high70 Ų7041.3 Ų41.342%0.42423%0.234SC..  trans-105.4-29.4179.9-178.70000111.7F181 L247 F278F181-V280 PolarHBondContact O-N 3.44Å; L247-V280 HydrophobicContact CD1-CB 3.97Å; L247-V280 HydrophobicContact CD1-CG1 4.41Å; L247-V280 HydrophobicContact CD1-CG2 3.72Å; F278-V280 HydrophobicContact CD2-CG2 4Å; F278-V280 HydrophobicContact CE2-CG2 3.71Å
281G69.3Low94Very high61 Ų6139.9 Ų39.963%0.62923%0.232SC*.  trans-176.80-17900000112.9G180 F181G180-G281 WeakPolarHBondContact CA-O 3.47Å; F181-G281 PolarHBondContact N-O 3.32Å

Retrieved 281 of 281 residues in 58.1 ms (Link to these results)