Z4YMV4_MOUSE Loading...

Epithelial splicing regulatory protein 1

AlphaFold DB , UniProt , Accession Z4YMV4, Species MOUSE (Mus musculus, Mouse), Gene Esrp1, Length 467 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
1N40.9Very low49.1Very low206 Ų206138.4 Ų138.4100%1.10269%0.69SS**  0-10.40-78-8.7000115.2
2F31.8Very low50.9Low192 Ų192129.7 Ų129.784%0.84266%0.662SS**  trans-84.5-24.9176-90-88000114.7K4 S5F2-K4 PolarHBondContact O-N 3.14Å; F2-S5 WeakPolarHBondContact O-CB 3.09Å; F2-S5 PolarHBondContact O-N 3.32Å
3E35.9Very low53.1Low180 Ų180124.2 Ų124.284%0.84165%0.648SS**Hα-helixtrans-77.1-21.8-176.2-70.4179.9152.600115.3S5E3-S5 VanDerWaalsContact C-N 3.26Å; E3-S5 PolarHBondContact O-N 3.23Å
4K43.9Very low55.2Low175 Ų175119.4 Ų119.476%0.76163%0.63SS**Hα-helixtrans-75.4-13.3176.4-90.2-176.9175.5179.10113.7F2 S7F2-K4 PolarHBondContact O-N 3.14Å; K4-S7 PolarHBondContact O-OG 3.45Å
5S47.1Very low57.1Low75 Ų75117.6 Ų117.652%0.52462%0.617SS.*Hα-helixtrans-75.5-38179.41760000111.9F2 E3 S9F2-S5 WeakPolarHBondContact O-CB 3.09Å; F2-S5 PolarHBondContact O-N 3.32Å; E3-S5 VanDerWaalsContact C-N 3.26Å; E3-S5 PolarHBondContact O-N 3.23Å; S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 2.94Å; S5-S9 VanDerWaalsContact O-N 3.16Å
6D50.4Low59Low95 Ų95116.7 Ų116.751%0.50862%0.618SS.*Hα-helixtrans-72.4-34.9-173.4-83.6-4.1000113.3R10D6-R10 WeakPolarHBondContact O-CB 3.13Å; D6-R10 VanDerWaalsContact O-CG 3.31Å; D6-R10 WeakPolarHBondContact O-CG 3.24Å; D6-R10 PolarHBondContact O-N 2.59Å
7S53.3Low60.8Low74 Ų74117.3 Ų117.352%0.51762%0.616SS.*Hα-helixtrans-69.5-37.7179.862.50000112.6K4 Y11K4-S7 PolarHBondContact O-OG 3.45Å; S7-Y11 WeakPolarHBondContact O-CB 3.46Å; S7-Y11 PolarHBondContact O-N 3.1Å; S7-Y11 VanDerWaalsContact O-N 3.07Å
8V55.3Low62.6Low103 Ų103115.5 Ų115.562%0.62461%0.607SS**Hα-helixtrans-72.9-39.2177.9-178.90000110.6Y11 G12V8-Y11 PolarHBondContact O-N 3.24Å; V8-G12 PolarHBondContact O-N 3.4Å
9S56.9Low64Low79 Ų79115.7 Ų115.755%0.55261%0.606SS**Hα-helixtrans-62.8-44175.6-169.60000112S5 G12 A13S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 2.94Å; S5-S9 VanDerWaalsContact O-N 3.16Å; S9-G12 PolarHBondContact O-N 3.28Å; S9-A13 WeakPolarHBondContact O-CB 2.83Å; S9-A13 PolarHBondContact O-N 3.05Å
10R61.3Low65.4Low188 Ų188111.3 Ų111.371%0.70959%0.59SS**Hα-helixtrans-66.3-38.7175.3-73.7-179.5-175.8177.83.4113.2D6 A13 S14D6-R10 WeakPolarHBondContact O-CB 3.13Å; D6-R10 VanDerWaalsContact O-CG 3.31Å; D6-R10 WeakPolarHBondContact O-CG 3.24Å; D6-R10 PolarHBondContact O-N 2.59Å; R10-A13 PolarHBondContact O-N 3.09Å; R10-S14 PolarHBondContact O-N 2.96Å
11Y63.2Low66.8Low155 Ų155110.1 Ų110.161%0.60858%0.584SS**Hα-helixtrans-64.1-44.3176.6-177.2-99.6000112S7 V8 S14 Q15S7-Y11 WeakPolarHBondContact O-CB 3.46Å; S7-Y11 PolarHBondContact O-N 3.1Å; S7-Y11 VanDerWaalsContact O-N 3.07Å; V8-Y11 PolarHBondContact O-N 3.24Å; Y11-S14 PolarHBondContact O-N 3.11Å; Y11-Q15 HydrophobicContact CE1-CG 4.45Å; Y11-Q15 PolarHBondContact O-N 3.35Å; Y11-Q15 PolarHBondContact OH-NE2 3.15Å
12G71.3Confident69.3Low34 Ų34105.1 Ų105.135%0.35156%0.556SS.*Hα-helixtrans-63.8-40.3175.300000112.7V8 S9 Q15 V16V8-G12 PolarHBondContact O-N 3.4Å; S9-G12 PolarHBondContact O-N 3.28Å; G12-Q15 PolarHBondContact O-N 2.66Å; G12-V16 WeakPolarHBondContact O-CG2 3.47Å; G12-V16 PolarHBondContact O-N 3.3Å; G12-V16 VanDerWaalsContact O-N 3.13Å
13A78.7Confident72.2Confident59 Ų5999.8 Ų99.849%0.48854%0.536SS..Hα-helixtrans-61.9-43.7176.600000112.3S9 R10 Q15 V16 E17S9-A13 WeakPolarHBondContact O-CB 2.83Å; S9-A13 PolarHBondContact O-N 3.05Å; R10-A13 PolarHBondContact O-N 3.09Å; A13-Q15 PolarHBondContact O-N 3.26Å; A13-V16 PolarHBondContact O-N 3.31Å; A13-E17 PolarHBondContact O-N 3.06Å
14S83Confident75Confident57 Ų5796.1 Ų96.140%0.39952%0.521SS..Hα-helixtrans-60.1-43.1176.5-171.90000112.2R10 Y11 V16 E17 D18R10-S14 PolarHBondContact O-N 2.96Å; Y11-S14 PolarHBondContact O-N 3.11Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 2.99Å; S14-E17 PolarHBondContact O-N 2.83Å; S14-D18 VanDerWaalsContact O-CG 3.24Å; S14-D18 PolarHBondContact O-N 2.79Å
15Q83.7Confident77.4Confident92 Ų9290.1 Ų90.143%0.4350%0.504SS..Hα-helixtrans-65.8-37.4177.8-71-163.1-0.500112.6Y11 G12 A13 E17 D18 M19Y11-Q15 HydrophobicContact CE1-CG 4.45Å; Y11-Q15 PolarHBondContact O-N 3.35Å; Y11-Q15 PolarHBondContact OH-NE2 3.15Å; G12-Q15 PolarHBondContact O-N 2.66Å; A13-Q15 PolarHBondContact O-N 3.26Å; Q15-E17 VanDerWaalsContact C-N 3.32Å; Q15-D18 PolarHBondContact O-N 3.39Å; Q15-M19 WeakPolarHBondContact O-CB 3.48Å; Q15-M19 VanDerWaalsContact O-CG 3.27Å; Q15-M19 WeakPolarHBondContact O-CG 3.39Å; Q15-M19 PolarHBondContact O-N 3.37Å
16V87Confident79.7Confident103 Ų10389.7 Ų89.762%0.62450%0.495SS*.Hα-helixtrans-66-39.3175.91730000110.7G12 A13 S14 M19 G20G12-V16 WeakPolarHBondContact O-CG2 3.47Å; G12-V16 PolarHBondContact O-N 3.3Å; G12-V16 VanDerWaalsContact O-N 3.13Å; A13-V16 PolarHBondContact O-N 3.31Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 2.99Å; V16-M19 PolarHBondContact O-N 3.44Å; V16-G20 PolarHBondContact O-N 3.13Å
17E90.1Very high81.8Confident127 Ų12789 Ų8959%0.59349%0.49SS*.Hα-helixtrans-64.8-44.8174.9-171171.6-168.200111.6A13 S14 Q15 M19 G20 N21A13-E17 PolarHBondContact O-N 3.06Å; S14-E17 PolarHBondContact O-N 2.83Å; Q15-E17 VanDerWaalsContact C-N 3.32Å; E17-M19 PolarHBondContact O-N 3.24Å; E17-G20 WeakPolarHBondContact O-CA 3.26Å; E17-G20 PolarHBondContact O-N 2.8Å; E17-G20 VanDerWaalsContact O-N 3.13Å; E17-N21 VanDerWaalsContact O-CG 3.3Å; E17-N21 PolarHBondContact O-N 2.74Å; E17-N21 PolarHBondContact O-ND2 3.12Å
18D92.1Very high83.8Confident85 Ų8588.1 Ų88.146%0.45548%0.484SS..Hα-helixtrans-59.7-44.7174.7-69.9-27.3000111.7S14 Q15 G20 N21 I22S14-D18 VanDerWaalsContact O-CG 3.24Å; S14-D18 PolarHBondContact O-N 2.79Å; Q15-D18 PolarHBondContact O-N 3.39Å; D18-G20 VanDerWaalsContact C-N 3.32Å; D18-G20 PolarHBondContact O-N 2.9Å; D18-N21 PolarHBondContact O-N 2.87Å; D18-I22 VanDerWaalsContact O-CG1 3.27Å; D18-I22 WeakPolarHBondContact O-CG1 3.15Å; D18-I22 PolarHBondContact O-N 3.19Å
19M89.6Confident85.5Confident119 Ų11990.9 Ų90.959%0.58649%0.49SS*.Hα-helixtrans-60.2-42.6174.1-73.8178.57500111.6Q15 V16 E17 I22 I23Q15-M19 WeakPolarHBondContact O-CB 3.48Å; Q15-M19 VanDerWaalsContact O-CG 3.27Å; Q15-M19 WeakPolarHBondContact O-CG 3.39Å; Q15-M19 PolarHBondContact O-N 3.37Å; V16-M19 PolarHBondContact O-N 3.44Å; E17-M19 PolarHBondContact O-N 3.24Å; M19-I22 PolarHBondContact O-N 3.21Å; M19-I23 VanDerWaalsContact O-CG1 3.28Å; M19-I23 WeakPolarHBondContact O-CG1 3.31Å; M19-I23 PolarHBondContact O-N 2.98Å
20G92.8Very high87.1Confident28 Ų2892.3 Ų92.329%0.28950%0.498SS..Hα-helixtrans-59.2-46.3174.500000112V16 E17 D18 I22 I23 L24V16-G20 PolarHBondContact O-N 3.13Å; E17-G20 WeakPolarHBondContact O-CA 3.26Å; E17-G20 PolarHBondContact O-N 2.8Å; E17-G20 VanDerWaalsContact O-N 3.13Å; D18-G20 VanDerWaalsContact C-N 3.32Å; D18-G20 PolarHBondContact O-N 2.9Å; G20-I22 PolarHBondContact O-N 3.07Å; G20-I23 PolarHBondContact O-N 3.4Å; G20-L24 WeakPolarHBondContact O-CB 3.36Å; G20-L24 VanDerWaalsContact O-CG 3.27Å; G20-L24 WeakPolarHBondContact O-CG 3.4Å; G20-L24 PolarHBondContact O-N 3.47Å
21N94.1Very high88.6Confident86 Ų8691.7 Ų91.746%0.4650%0.496SS..Hα-helixtrans-64-40178.3-70.4-32.2000112.4E17 D18 L24 A25E17-N21 VanDerWaalsContact O-CG 3.3Å; E17-N21 PolarHBondContact O-N 2.74Å; E17-N21 PolarHBondContact O-ND2 3.12Å; D18-N21 PolarHBondContact O-N 2.87Å; N21-L24 PolarHBondContact O-N 3.19Å; N21-A25 WeakPolarHBondContact O-CB 3.48Å; N21-A25 PolarHBondContact O-N 3.29Å
22I94.2Very high90Very high102 Ų10289.1 Ų89.152%0.52349%0.493SS..Hα-helixtrans-61.7-47.6174.4-69163.9000110.3D18 M19 G20 L24 A25 M26D18-I22 VanDerWaalsContact O-CG1 3.27Å; D18-I22 WeakPolarHBondContact O-CG1 3.15Å; D18-I22 PolarHBondContact O-N 3.19Å; M19-I22 PolarHBondContact O-N 3.21Å; G20-I22 PolarHBondContact O-N 3.07Å; I22-L24 VanDerWaalsContact C-N 3.34Å; I22-L24 PolarHBondContact O-N 3.03Å; I22-A25 PolarHBondContact O-N 3.16Å; I22-M26 HydrophobicContact CG2-CG 4.46Å; I22-M26 HydrophobicContact CG2-SD 4.07Å; I22-M26 VanDerWaalsContact O-CG 3.31Å; I22-M26 WeakPolarHBondContact O-CG 3.42Å; I22-M26 PolarHBondContact O-N 3.16Å
23I92.7Very high91Very high80 Ų8091.8 Ų91.841%0.4150%0.496SS..Hα-helixtrans-60.4-46.1178.2-69.2166.5000110.4M19 G20 A25 M26 I27 F35M19-I23 VanDerWaalsContact O-CG1 3.28Å; M19-I23 WeakPolarHBondContact O-CG1 3.31Å; M19-I23 PolarHBondContact O-N 2.98Å; G20-I23 PolarHBondContact O-N 3.4Å; I23-A25 VanDerWaalsContact C-N 3.33Å; I23-A25 PolarHBondContact O-N 3.04Å; I23-M26 PolarHBondContact O-N 2.89Å; I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 WeakPolarHBondContact O-CG2 3.41Å; I23-I27 PolarHBondContact O-N 2.96Å; I23-F35 HydrophobicContact CG1-CZ 4.4Å; I23-F35 HydrophobicContact CG2-CE2 3.94Å; I23-F35 HydrophobicContact CG2-CZ 4.26Å
24L93.8Very high91.6Very high102 Ų10299.1 Ų99.153%0.53451%0.511SS..Hα-helixtrans-60.1-41.7177-72.5172.1000112G20 N21 I22 I27 S28G20-L24 WeakPolarHBondContact O-CB 3.36Å; G20-L24 VanDerWaalsContact O-CG 3.27Å; G20-L24 WeakPolarHBondContact O-CG 3.4Å; G20-L24 PolarHBondContact O-N 3.47Å; N21-L24 PolarHBondContact O-N 3.19Å; I22-L24 VanDerWaalsContact C-N 3.34Å; I22-L24 PolarHBondContact O-N 3.03Å; L24-I27 HydrophobicContact CD2-CD1 4.23Å; L24-I27 WeakPolarHBondContact O-CG1 3.25Å; L24-S28 VanDerWaalsContact O-CB 3.3Å; L24-S28 WeakPolarHBondContact O-CB 3.31Å; L24-S28 PolarHBondContact O-N 3.24Å; L24-S28 VanDerWaalsContact O-N 3.11Å; L24-S28 PolarHBondContact O-OG 2.93Å
25A94.6Very high91.8Very high49 Ų49101.5 Ų101.541%0.40552%0.515SS..Hα-helixtrans-64.9-39175.600000112.1N21 I22 I23 S28 Y31N21-A25 WeakPolarHBondContact O-CB 3.48Å; N21-A25 PolarHBondContact O-N 3.29Å; I22-A25 PolarHBondContact O-N 3.16Å; I23-A25 VanDerWaalsContact C-N 3.33Å; I23-A25 PolarHBondContact O-N 3.04Å; A25-S28 WeakPolarHBondContact CA-OG 3.5Å; A25-S28 PolarHBondContact O-OG 3.49Å; A25-Y31 WeakPolarHBondContact O-CD2 3.32Å
26M94.7Very high92Very high66 Ų66101 Ų10133%0.32552%0.522SS..Hα-helixtrans-66.5-40.8178.6-72.7178.269.400112.6I22 I23 Y31 N32 H33 F35I22-M26 HydrophobicContact CG2-CG 4.46Å; I22-M26 HydrophobicContact CG2-SD 4.07Å; I22-M26 VanDerWaalsContact O-CG 3.31Å; I22-M26 WeakPolarHBondContact O-CG 3.42Å; I22-M26 PolarHBondContact O-N 3.16Å; I23-M26 PolarHBondContact O-N 2.89Å; M26-Y31 VanDerWaalsContact O-CB 3.32Å; M26-Y31 WeakPolarHBondContact O-CB 3.49Å; M26-N32 PolarHBondContact O-N 3.43Å; M26-H33 HydrophobicContact CB-CB 4.17Å; M26-H33 WeakPolarHBondContact O-CB 3.5Å; M26-H33 PolarHBondContact O-N 3.18Å; M26-F35 HydrophobicContact CB-CZ 4.4Å; M26-F35 HydrophobicContact CE-CE1 4.03Å; M26-F35 HydrophobicContact CE-CZ 4Å; M26-F35 HydrophobicContact SD-CZ 4.1Å
27I95.4Very high91.7Very high80 Ų80103 Ų10341%0.4153%0.529SS..Hα-helixtrans-82.6-18.7-177.467.1-179.4000113.6I23 L24 F35I23-I27 WeakPolarHBondContact O-CG1 3.47Å; I23-I27 WeakPolarHBondContact O-CG2 3.41Å; I23-I27 PolarHBondContact O-N 2.96Å; L24-I27 HydrophobicContact CD2-CD1 4.23Å; L24-I27 WeakPolarHBondContact O-CG1 3.25Å; I27-F35 HydrophobicContact CG2-CD2 4.03Å; I27-F35 HydrophobicContact CG2-CE2 3.56Å
28S95.2Very high91.3Very high56 Ų56103 Ų10339%0.39254%0.54SS..SBendtrans-83.7165179.652.80000112.2L24 A25 Y31 N32L24-S28 VanDerWaalsContact O-CB 3.3Å; L24-S28 WeakPolarHBondContact O-CB 3.31Å; L24-S28 PolarHBondContact O-N 3.24Å; L24-S28 VanDerWaalsContact O-N 3.11Å; L24-S28 PolarHBondContact O-OG 2.93Å; A25-S28 WeakPolarHBondContact CA-OG 3.5Å; A25-S28 PolarHBondContact O-OG 3.49Å; S28-Y31 PolarHBondContact O-N 3.4Å; S28-N32 PolarHBondContact O-N 3.49Å
29E90.7Very high90.9Very high162 Ų162104.3 Ų104.376%0.75754%0.543SS*.THydrogen-bonded Turntrans-63141.5172.1-67.5-171.2172.700110.7
30P91Very high90.7Very high108 Ų108108.5 Ų108.570%0.70155%0.553SS**THydrogen-bonded Turncis-90.1-3.76.735.8-36.2000114.6
31Y92.5Very high90.5Very high175 Ų175110.7 Ų110.769%0.68656%0.56SS**THydrogen-bonded Turntrans-74.5-36.7-169.5-61.5-75.3000113.1A25 M26 S28 H33A25-Y31 WeakPolarHBondContact O-CD2 3.32Å; M26-Y31 VanDerWaalsContact O-CB 3.32Å; M26-Y31 WeakPolarHBondContact O-CB 3.49Å; S28-Y31 PolarHBondContact O-N 3.4Å; Y31-H33 PolarHBondContact O-N 2.96Å
32N93.1Very high90.1Very high102 Ų102110.4 Ų110.455%0.54556%0.558SS.*  trans45.734.7175.5-70.5-49.3000113.7M26 S28M26-N32 PolarHBondContact O-N 3.43Å; S28-N32 PolarHBondContact O-N 3.49Å
33H92.6Very high89.5Confident89 Ų89114.3 Ų114.341%0.41257%0.568SS.*  trans-69135.3-175.7-175.376.3000110.3M26 Y31 F35M26-H33 HydrophobicContact CB-CB 4.17Å; M26-H33 WeakPolarHBondContact O-CB 3.5Å; M26-H33 PolarHBondContact O-N 3.18Å; Y31-H33 PolarHBondContact O-N 2.96Å; H33-F35 AromaticContact CD2-CD1 3.97Å; H33-F35 AromaticContact CD2-CE1 3.88Å; H33-F35 AromaticContact CD2-CZ 4Å; H33-F35 AromaticContact NE2-CD1 3.92Å
34R91.3Very high89.1Confident213 Ų213118.5 Ų118.580%0.80458%0.583SS**  trans-112.6111.2176.4-166.1176.3-168.7-93.91.7109.4S36R34-S36 PolarHBondContact O-N 3.37Å
35F87.4Confident88.9Confident108 Ų108114.9 Ų114.947%0.47456%0.563SS.*  trans-63.7118.2172.2-62.3-81.2000109.6I23 M26 I27 H33I23-F35 HydrophobicContact CG1-CZ 4.4Å; I23-F35 HydrophobicContact CG2-CE2 3.94Å; I23-F35 HydrophobicContact CG2-CZ 4.26Å; M26-F35 HydrophobicContact CB-CZ 4.4Å; M26-F35 HydrophobicContact CE-CE1 4.03Å; M26-F35 HydrophobicContact CE-CZ 4Å; M26-F35 HydrophobicContact SD-CZ 4.1Å; I27-F35 HydrophobicContact CG2-CD2 4.03Å; I27-F35 HydrophobicContact CG2-CE2 3.56Å; H33-F35 AromaticContact CD2-CD1 3.97Å; H33-F35 AromaticContact CD2-CE1 3.88Å; H33-F35 AromaticContact CD2-CZ 4Å; H33-F35 AromaticContact NE2-CD1 3.92Å
36S86.2Confident88.5Confident82 Ų82118 Ų11857%0.57357%0.569SS**  trans-105.4155.6167.457.20000109.2R34R34-S36 PolarHBondContact O-N 3.37Å
37D81.6Confident88Confident144 Ų144117.6 Ų117.677%0.7757%0.573SS**SBendtrans60.459.8172-46.8-52.2000114.8E39D37-E39 PolarHBondContact O-N 2.86Å
38P82Confident87.4Confident127 Ų127114.8 Ų114.883%0.82556%0.564SS**  trans-62.3123179.227.5-34.3000110.8R40P38-R40 PolarHBondContact O-N 2.9Å
39E83.6Confident86.7Confident112 Ų112115.9 Ų115.952%0.52357%0.569SS.*  trans-70.9127173.8-178.4163.3-146.500110.9D37 H113D37-E39 PolarHBondContact O-N 2.86Å; E39-H113 VanDerWaalsContact CD-NE2 3.34Å; E39-H113 IonicContact OE1-CD2 2.79Å; E39-H113 IonicContact OE1-CE1 3.12Å; E39-H113 PolarHBondContact OE1-CE1 3.03Å; E39-H113 IonicContact OE1-NE2 2.63Å; E39-H113 PolarHBondContact OE1-NE2 2.84Å; E39-H113 IonicContact OE2-NE2 3.77Å; E39-H113 PolarHBondContact OE2-NE2 3.39Å
40R86.3Confident86.3Confident208 Ų208108.7 Ų108.779%0.78554%0.536SS*.  trans-91.2113.5177.8-174.6175.1176.9170.8-1.1110.2P38 N84P38-R40 PolarHBondContact O-N 2.9Å; R40-N84 PolarHBondContact O-ND2 2.84Å
41V87.9Confident85.7Confident73 Ų73106.2 Ų106.244%0.44252%0.521SS..  trans-86.7124.5172.7-1780000110.9Y43 N84V41-Y43 PolarHBondContact O-N 2.85Å; V41-N84 WeakPolarHBondContact CA-OD1 3.41Å
42N86.2Confident85Confident80 Ų80103.9 Ų103.943%0.42852%0.515SS..  trans-77.1117.6176.6-70.4-28.9000110.4N84N42-N84 PolarHBondContact N-OD1 2.75Å
43Y81.1Confident84.3Confident185 Ų185106.6 Ų106.673%0.72553%0.526SS*.SBendtrans-75.4-27.6179.1-169.5-91.2000113.1V41V41-Y43 PolarHBondContact O-N 2.85Å
44K84.4Confident83.7Confident168 Ų168105.5 Ų105.573%0.7352%0.521SS*.SBendtrans-109.4134.4179.6-66.8-175.4179.6-179.70109.1
45F88.6Confident83.3Confident26 Ų26103.2 Ų103.211%0.11452%0.524CS..  trans-81135.1171172.2-110.7000109.5D73 A77 I85 A90F45-D73 HydrophobicContact CD1-CB 4.37Å; F45-D73 HydrophobicContact CE1-CB 3.79Å; F45-D73 WeakPolarHBondContact CE1-OD2 3.23Å; F45-A77 HydrophobicContact CB-CB 3.48Å; F45-A77 VanDerWaalsContact CB-CB 3.48Å; F45-A77 HydrophobicContact CD1-CB 4.43Å; F45-A77 HydrophobicContact CD2-CB 4.41Å; F45-A77 HydrophobicContact CG-CB 3.86Å; F45-I85 HydrophobicContact CD2-CB 4Å; F45-I85 HydrophobicContact CD2-CD1 4.5Å; F45-I85 HydrophobicContact CD2-CG2 4.01Å; F45-I85 HydrophobicContact CE2-CB 4.05Å; F45-I85 HydrophobicContact CE2-CG2 3.54Å; F45-A90 HydrophobicContact CE1-CB 4.13Å; F45-A90 HydrophobicContact CE2-CB 4.17Å; F45-A90 HydrophobicContact CZ-CB 3.59Å
46E86.8Confident83.3Confident113 Ų11399 Ų9953%0.52851%0.506SS..  trans-99.4107.3177.4-64.4-176.2-178.800109.4K87 G88E46-K87 HydrophobicContact CB-CB 4.26Å; E46-K87 HydrophobicContact CB-CG 4.01Å; E46-K87 WeakPolarHBondContact O-CA 3.41Å; E46-G88 PolarHBondContact O-N 3.43Å
47S84.4Confident83.5Confident58 Ų5899.6 Ų99.641%0.40650%0.503SS..  trans-65.1149.4169.7-53.20000109.8D73S47-D73 PolarHBondContact OG-OD2 2.8Å
48G81.9Confident83.9Confident22 Ų2296.5 Ų96.523%0.22749%0.486CS..  trans-176.7170.8-176.800000112.5G88 A241G48-G88 VanDerWaalsContact O-CA 3.29Å; G48-G88 WeakPolarHBondContact O-CA 3.24Å; G48-A241 VanDerWaalsContact O-CB 3.29Å; G48-A241 WeakPolarHBondContact O-CB 3.18Å
49T81.9Confident84.4Confident79 Ų7991.1 Ų91.149%0.48545%0.452SS..  trans-85.5153.1172.347.20000110.8L155 A241T49-L155 HydrophobicContact CG2-CB 3.66Å; T49-L155 HydrophobicContact CG2-CD1 3.34Å; T49-L155 HydrophobicContact CG2-CG 4.13Å; T49-A241 HydrophobicContact CG2-CB 3.89Å
50C82Confident85Confident10 Ų1086.4 Ų86.47%0.06843%0.43CS..EExtended strand (participates in β ladder)trans-116.5130.7168.7-178.80000108.3E54 F140 A144 G146C50-E54 PolarHBondContact SG-OE2 2.88Å; C50-F140 HydrophobicContact CB-CE1 4.06Å; C50-A144 HydrophobicContact CB-CB 4.08Å; C50-G146 PolarHBondContact O-N 2.96Å
51S78.4Confident85.6Confident57 Ų5776.5 Ų76.540%0.39939%0.393SS..EExtended strand (participates in β ladder)trans-79.6140.8178.2177.50000110M53 E54 L141S51-M53 PolarHBondContact O-N 3.23Å; S51-M53 PolarHBondContact OG-N 3.02Å; S51-E54 VanDerWaalsContact O-CB 3.22Å; S51-E54 WeakPolarHBondContact O-CB 3.47Å; S51-E54 PolarHBondContact O-N 3.49Å; S51-L141 WeakPolarHBondContact O-CD2 3.31Å
52K77.1Confident86.1Confident126 Ų12673 Ų7355%0.54837%0.372SS..THydrogen-bonded Turntrans-63.7-23.4173.6-167.5173.3-177.2175.20113.2E54 G146 T147K52-E54 VanDerWaalsContact C-N 3.31Å; K52-G146 PolarHBondContact N-O 2.95Å; K52-T147 HydrophobicContact CB-CG2 3.7Å; K52-T147 HydrophobicContact CD-CG2 3.41Å; K52-T147 VanDerWaalsContact CD-CG2 3.41Å; K52-T147 HydrophobicContact CG-CG2 4.17Å
53M77.6Confident86.6Confident158 Ų15872.6 Ų72.678%0.77836%0.364SS*.THydrogen-bonded Turntrans-87.10.9175.5-72.687.390.800113.3S51S51-M53 PolarHBondContact O-N 3.23Å; S51-M53 PolarHBondContact OG-N 3.02Å
54E80.4Confident87.4Confident67 Ų6763.9 Ų63.931%0.31333%0.331SS..  trans-71.6130.6177-164.1176.9173.100110.6C50 S51 K52 I56 R107 L141C50-E54 PolarHBondContact SG-OE2 2.88Å; S51-E54 VanDerWaalsContact O-CB 3.22Å; S51-E54 WeakPolarHBondContact O-CB 3.47Å; S51-E54 PolarHBondContact O-N 3.49Å; K52-E54 VanDerWaalsContact C-N 3.31Å; E54-I56 PolarHBondContact O-N 3.5Å; E54-R107 IonicContact OE1-CZ 2.94Å; E54-R107 VanDerWaalsContact OE1-CZ 3.25Å; E54-R107 IonicContact OE1-NH1 3.31Å; E54-R107 PolarHBondContact OE1-NH1 3.08Å; E54-R107 IonicContact OE1-NH2 3.9Å; E54-R107 PolarHBondContact OE1-NH2 2.87Å; E54-R107 IonicContact OE2-NH1 3.5Å; E54-R107 PolarHBondContact OE2-NH1 3.38Å; E54-L141 WeakPolarHBondContact O-CD1 3.41Å
55L82.4Confident88Confident165 Ų16560 Ų6086%0.86431%0.312SS*.  trans-82.6116.3172.5-64.7175.4000108.7
56I87.8Confident88.3Confident18 Ų1859.8 Ų59.89%0.09232%0.316CS..  trans-110124.6177.8-55.2-175000107.7E54 D58 V61 R107 F140 L141E54-I56 PolarHBondContact O-N 3.5Å; I56-D58 PolarHBondContact O-N 3.49Å; I56-V61 HydrophobicContact CG2-CG2 3.75Å; I56-R107 HydrophobicContact CG2-CG 4.27Å; I56-F140 HydrophobicContact CD1-CB 4.34Å; I56-F140 HydrophobicContact CD1-CD1 3.37Å; I56-F140 HydrophobicContact CD1-CE1 4.03Å; I56-F140 HydrophobicContact CD1-CG 4.17Å; I56-L141 HydrophobicContact CD1-CD1 4.46Å; I56-L141 HydrophobicContact CD1-CD2 3.59Å; I56-L141 HydrophobicContact CD1-CG 3.73Å; I56-L141 HydrophobicContact CG1-CD1 4.45Å; I56-L141 HydrophobicContact CG1-CD2 4.17Å; I56-L141 HydrophobicContact CG1-CG 4.23Å
57D90.2Very high88.7Confident95 Ų9554.5 Ų54.551%0.50829%0.292SS..  trans-68.9125.7173.4-177.9-0.3000110.1S59 T60D57-S59 PolarHBondContact O-N 3.15Å; D57-S59 VanDerWaalsContact O-N 3.12Å; D57-S59 WeakPolarHBondContact OD1-CB 3.28Å; D57-S59 PolarHBondContact OD1-N 3.46Å; D57-S59 PolarHBondContact OD1-OG 2.91Å; D57-S59 PolarHBondContact OD2-OG 3.17Å; D57-T60 HydrophobicContact CB-CG2 3.96Å; D57-T60 PolarHBondContact O-N 3.1Å; D57-T60 PolarHBondContact O-OG1 3.41Å
58D90.7Very high89.1Confident80 Ų8053.5 Ų53.543%0.42828%0.284SS..G310 helixtrans-57.4-23.2176.4-70.2-18.4000112.5I56 T60 A135 T136 G137I56-D58 PolarHBondContact O-N 3.49Å; D58-T60 PolarHBondContact O-N 3.34Å; D58-A135 VanDerWaalsContact O-O 3.13Å; D58-T136 HydrophobicContact CB-CG2 4.47Å; D58-T136 WeakPolarHBondContact OD1-CB 3.28Å; D58-G137 PolarHBondContact OD1-N 2.87Å
59S93.3Very high89.3Confident14 Ų1460.7 Ų60.710%0.09830%0.304CS..G310 helixtrans-71.7-12.2176.482.50000113.7D57 R114D57-S59 PolarHBondContact O-N 3.15Å; D57-S59 VanDerWaalsContact O-N 3.12Å; D57-S59 WeakPolarHBondContact OD1-CB 3.28Å; D57-S59 PolarHBondContact OD1-N 3.46Å; D57-S59 PolarHBondContact OD1-OG 2.91Å; D57-S59 PolarHBondContact OD2-OG 3.17Å; S59-R114 VanDerWaalsContact O-CB 3.29Å; S59-R114 WeakPolarHBondContact O-CB 3.45Å; S59-R114 WeakPolarHBondContact O-CG 3.35Å; S59-R114 PolarHBondContact O-NE 3.37Å; S59-R114 PolarHBondContact O-NH1 3.33Å; S59-R114 VanDerWaalsContact O-NH1 3.1Å
60T96.4Very high89.4Confident12 Ų1264.4 Ų64.47%0.07432%0.316CS..G310 helixtrans-105.7-1.3-169.266.30000114.9D57 D58 F108D57-T60 HydrophobicContact CB-CG2 3.96Å; D57-T60 PolarHBondContact O-N 3.1Å; D57-T60 PolarHBondContact O-OG1 3.41Å; D58-T60 PolarHBondContact O-N 3.34Å; T60-F108 PolarHBondContact O-N 2.89Å
61V97.7Very high89.8Confident0 Ų064.2 Ų64.20%032%0.315CS..EExtended strand (participates in β ladder)trans-112.1139.3-172.4-170.60000112.3I56 L105 V106 R107 A135 F140I56-V61 HydrophobicContact CG2-CG2 3.75Å; V61-L105 HydrophobicContact CG1-CD2 4.24Å; V61-V106 WeakPolarHBondContact CA-O 3.31Å; V61-R107 HydrophobicContact CG2-CB 4.25Å; V61-R107 HydrophobicContact CG2-CG 4.37Å; V61-A135 HydrophobicContact CB-CB 4.46Å; V61-A135 HydrophobicContact CG1-CB 3.98Å; V61-A135 PolarHBondContact O-N 3.25Å; V61-A135 VanDerWaalsContact O-N 3.12Å; V61-A135 VanDerWaalsContact O-O 3.14Å; V61-F140 HydrophobicContact CG1-CB 4.07Å; V61-F140 HydrophobicContact CG1-CD2 4.25Å; V61-F140 HydrophobicContact CG2-CB 4.27Å
62V98.3Very high90.4Very high0 Ų061.8 Ų61.80%030%0.298CS..EExtended strand (participates in β ladder)trans-120.3154.7166.1-53.10000111.5F80 L105 V106 F108 R114 A117 L118 V132 Y133V62-F80 HydrophobicContact CG2-CZ 4.22Å; V62-L105 WeakPolarHBondContact O-CA 3.43Å; V62-V106 HydrophobicContact CG2-CB 3.91Å; V62-V106 HydrophobicContact CG2-CG2 4.48Å; V62-V106 PolarHBondContact N-O 2.82Å; V62-V106 PolarHBondContact O-N 2.81Å; V62-F108 HydrophobicContact CB-CE2 4.44Å; V62-F108 HydrophobicContact CG1-CD2 4.48Å; V62-F108 HydrophobicContact CG1-CE2 3.99Å; V62-F108 HydrophobicContact CG2-CE2 3.65Å; V62-F108 HydrophobicContact CG2-CZ 4.4Å; V62-R114 HydrophobicContact CG1-CG 3.66Å; V62-A117 HydrophobicContact CG1-CB 4.25Å; V62-L118 HydrophobicContact CG1-CD2 4.14Å; V62-L118 HydrophobicContact CG1-CG 4.46Å; V62-V132 HydrophobicContact CB-CG1 3.79Å; V62-V132 HydrophobicContact CG1-CG1 4.1Å; V62-V132 HydrophobicContact CG2-CG1 3.86Å; V62-Y133 CarbonylContact C-O 3.56Å; V62-Y133 VanDerWaalsContact CA-O 3.24Å; V62-Y133 WeakPolarHBondContact CA-O 3.38Å; V62-Y133 WeakPolarHBondContact CB-O 3.47Å
63R98Very high91Very high71 Ų7156 Ų5627%0.26827%0.273SS..EExtended strand (participates in β ladder)trans-104.1121.5164.5-172.4173.1-175.3163.9-0.6109.5R65 E103 A104 L105 V132 Y133 A135R63-R65 HydrophobicContact CG-CG 4.34Å; R63-E103 IonicContact CZ-OE1 3.23Å; R63-E103 IonicContact CZ-OE2 2.87Å; R63-E103 IonicContact NE-OE1 3.64Å; R63-E103 IonicContact NE-OE2 3.09Å; R63-E103 VanDerWaalsContact NH2-CD 3.28Å; R63-E103 IonicContact NH2-OE1 3.54Å; R63-E103 PolarHBondContact NH2-OE1 3.39Å; R63-E103 VanDerWaalsContact NH2-OE1 3.13Å; R63-E103 IonicContact NH2-OE2 3.99Å; R63-E103 PolarHBondContact NH2-OE2 2.87Å; R63-A104 CarbonylContact C-O 3.51Å; R63-A104 WeakPolarHBondContact CA-O 3.43Å; R63-L105 HydrophobicContact CB-CD2 3.81Å; R63-L105 HydrophobicContact CG-CD2 4.1Å; R63-V132 WeakPolarHBondContact O-CA 3.37Å; R63-Y133 PolarHBondContact N-O 2.62Å; R63-Y133 PolarHBondContact O-N 2.86Å; R63-A135 HydrophobicContact CB-CB 4.04Å
64A97.9Very high91.6Very high3 Ų350.8 Ų50.83%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-100128.217200000109.5L67 F80 E103 A104 I130 E131A64-L67 HydrophobicContact CB-CD1 3.82Å; A64-L67 WeakPolarHBondContact O-CD1 3.43Å; A64-F80 HydrophobicContact CB-CE2 4.45Å; A64-F80 HydrophobicContact CB-CZ 4.46Å; A64-E103 CarbonylContact O-C 3.58Å; A64-E103 VanDerWaalsContact O-CA 3.24Å; A64-E103 WeakPolarHBondContact O-CA 3.36Å; A64-A104 PolarHBondContact N-O 3.27Å; A64-A104 PolarHBondContact O-N 2.82Å; A64-I130 HydrophobicContact CB-CG2 4.02Å; A64-E131 CarbonylContact C-O 3.55Å; A64-E131 WeakPolarHBondContact CA-O 3.45Å
65R97.1Very high92.2Very high87 Ų8749.4 Ų49.433%0.32824%0.241SC..EExtended strand (participates in β ladder)trans-120.7154.4177.4-62.9-172.8163.4150.7-0.2111.1R63 G102 E103 I130 E131R63-R65 HydrophobicContact CG-CG 4.34Å; R65-G102 CarbonylContact C-O 3.53Å; R65-E103 HydrophobicContact CB-CG 4.47Å; R65-E103 WeakPolarHBondContact CD-OE1 3.28Å; R65-E103 HydrophobicContact CG-CG 3.99Å; R65-E103 IonicContact CZ-OE1 2.77Å; R65-E103 IonicContact NE-OE1 3.79Å; R65-E103 PolarHBondContact NE-OE1 3.29Å; R65-E103 IonicContact NH2-OE1 3.08Å; R65-I130 WeakPolarHBondContact O-CA 3.4Å; R65-E131 HydrophobicContact CB-CB 4.3Å; R65-E131 PolarHBondContact N-O 2.66Å; R65-E131 PolarHBondContact O-N 3.16Å
66G94.8Very high92.8Very high20 Ų2041.6 Ų41.621%0.20620%0.2CC..SBendtrans89.910.7176.800000114G102 R128G66-G102 PolarHBondContact N-O 3.35Å; G66-R128 WeakPolarHBondContact O-CB 3.39Å; G66-R128 PolarHBondContact O-NE 3.41Å; G66-R128 PolarHBondContact O-NH2 3.49Å
67L95Very high93.1Very high3 Ų341.4 Ų41.42%0.01620%0.202CC..  trans-57.8139.9178.2-72.672.8000110.3A64 W69 I76 L92 G102 A104 M125 I130A64-L67 HydrophobicContact CB-CD1 3.82Å; A64-L67 WeakPolarHBondContact O-CD1 3.43Å; L67-W69 PolarHBondContact O-N 3.23Å; L67-I76 HydrophobicContact CD2-CD1 3.68Å; L67-I76 HydrophobicContact CD2-CG1 3.59Å; L67-L92 HydrophobicContact CD2-CD2 4.22Å; L67-G102 WeakPolarHBondContact CD1-O 3.11Å; L67-G102 PolarHBondContact N-O 2.95Å; L67-G102 WeakPolarHBondContact O-CA 3.17Å; L67-A104 HydrophobicContact CD2-CB 3.86Å; L67-M125 HydrophobicContact CG-CE 4.46Å; L67-M125 HydrophobicContact CG-SD 4.44Å; L67-I130 HydrophobicContact CD1-CD1 4.4Å; L67-I130 HydrophobicContact CD1-CG2 4.48Å; L67-I130 HydrophobicContact CG-CD1 4.3Å
68P91.7Very high93.3Very high36 Ų3643.4 Ų43.423%0.23420%0.202CC..  trans-49.3139.6163.2-23.730.5000111.2Q70 S71 M125 R128P68-Q70 PolarHBondContact O-N 3.28Å; P68-Q70 VanDerWaalsContact O-N 3.11Å; P68-S71 WeakPolarHBondContact CB-OG 3.4Å; P68-S71 VanDerWaalsContact CD-OG 3.29Å; P68-S71 WeakPolarHBondContact CD-OG 3.12Å; P68-S71 VanDerWaalsContact O-CB 3.23Å; P68-S71 WeakPolarHBondContact O-CB 3.44Å; P68-S71 PolarHBondContact O-N 3.39Å; P68-S71 PolarHBondContact O-OG 3.45Å; P68-S71 VanDerWaalsContact O-OG 3.09Å; P68-M125 HydrophobicContact CG-CG 4.38Å; P68-M125 HydrophobicContact CG-SD 4.33Å; P68-R128 HydrophobicContact CG-CB 4.28Å; P68-R128 HydrophobicContact CG-CG 4.04Å
69W85.8Confident93.5Very high173 Ų17340.6 Ų40.666%0.65519%0.186SC*.THydrogen-bonded Turntrans-65.1-20.2-175.4-63.7-40.9000114.3L67 R100L67-W69 PolarHBondContact O-N 3.23Å; W69-R100 VanDerWaalsContact O-CD 3.32Å; W69-R100 WeakPolarHBondContact O-CD 3.47Å
70Q84.8Confident93.6Very high157 Ų15740 Ų4073%0.73418%0.182SC*.THydrogen-bonded Turntrans-89.8-1.6175.8-64.9-171.465.400113.1P68P68-Q70 PolarHBondContact O-N 3.28Å; P68-Q70 VanDerWaalsContact O-N 3.11Å
71S90.4Very high93.5Very high6 Ų645 Ų454%0.04220%0.203CC..  trans-60.4141.2-179.2-670000111.9P68 D75 R100 M125P68-S71 WeakPolarHBondContact CB-OG 3.4Å; P68-S71 VanDerWaalsContact CD-OG 3.29Å; P68-S71 WeakPolarHBondContact CD-OG 3.12Å; P68-S71 VanDerWaalsContact O-CB 3.23Å; P68-S71 WeakPolarHBondContact O-CB 3.44Å; P68-S71 PolarHBondContact O-N 3.39Å; P68-S71 PolarHBondContact O-OG 3.45Å; P68-S71 VanDerWaalsContact O-OG 3.09Å; S71-D75 WeakPolarHBondContact CA-OD2 3.48Å; S71-R100 PolarHBondContact O-NH1 2.83Å; S71-M125 PolarHBondContact OG-SD 2.96Å; S71-M125 VanDerWaalsContact OG-SD 3.33Å
72S90.5Very high93.2Very high7 Ų746.8 Ų46.85%0.04922%0.221CC..  trans-104.9168.6172.564.30000111.2Q74 D75 I76S72-Q74 PolarHBondContact O-N 2.93Å; S72-Q74 PolarHBondContact OG-N 3.41Å; S72-D75 WeakPolarHBondContact CB-OD2 3.43Å; S72-D75 PolarHBondContact N-OD2 3.37Å; S72-D75 WeakPolarHBondContact O-CB 3.42Å; S72-D75 PolarHBondContact O-N 2.81Å; S72-D75 VanDerWaalsContact O-N 3.08Å; S72-D75 PolarHBondContact OG-N 3.36Å; S72-D75 PolarHBondContact OG-OD2 2.8Å; S72-I76 WeakPolarHBondContact O-CG1 3.22Å; S72-I76 PolarHBondContact O-N 2.85Å; S72-I76 VanDerWaalsContact O-N 3.07Å
73D90.6Very high93.1Very high3 Ų347.6 Ų47.62%0.01623%0.225CC..Hα-helixtrans-53-35.2164.853.7-29.9000113F45 S47 I76 A77 A90 R238 T240F45-D73 HydrophobicContact CD1-CB 4.37Å; F45-D73 HydrophobicContact CE1-CB 3.79Å; F45-D73 WeakPolarHBondContact CE1-OD2 3.23Å; S47-D73 PolarHBondContact OG-OD2 2.8Å; D73-I76 WeakPolarHBondContact O-CB 3.43Å; D73-I76 PolarHBondContact O-N 2.92Å; D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 2.79Å; D73-A90 HydrophobicContact CB-CB 3.95Å; D73-R238 IonicContact OD1-CZ 3.25Å; D73-R238 IonicContact OD1-NH1 2.93Å; D73-R238 PolarHBondContact OD1-NH1 3.33Å; D73-R238 IonicContact OD2-NH1 3.91Å; D73-T240 HydrophobicContact CB-CG2 3.63Å
74Q90.6Very high92.9Very high49 Ų4944.8 Ų44.823%0.22922%0.215CC..Hα-helixtrans-69.1-34175.1-164.862.531.700112.5S72 I76 A77 R78S72-Q74 PolarHBondContact O-N 2.93Å; S72-Q74 PolarHBondContact OG-N 3.41Å; Q74-I76 VanDerWaalsContact C-N 3.34Å; Q74-A77 PolarHBondContact O-N 2.74Å; Q74-R78 WeakPolarHBondContact O-CB 3.19Å; Q74-R78 WeakPolarHBondContact O-CG 3.06Å; Q74-R78 PolarHBondContact O-N 3.33Å
75D92.7Very high92.8Very high38 Ų3845.4 Ų45.420%0.20322%0.218CC..Hα-helixtrans-67.2-38.9173.8-57.9-57.9000110.9S71 S72 R78 F79 M125S71-D75 WeakPolarHBondContact CA-OD2 3.48Å; S72-D75 WeakPolarHBondContact CB-OD2 3.43Å; S72-D75 PolarHBondContact N-OD2 3.37Å; S72-D75 WeakPolarHBondContact O-CB 3.42Å; S72-D75 PolarHBondContact O-N 2.81Å; S72-D75 VanDerWaalsContact O-N 3.08Å; S72-D75 PolarHBondContact OG-N 3.36Å; S72-D75 PolarHBondContact OG-OD2 2.8Å; D75-R78 PolarHBondContact O-N 2.85Å; D75-R78 IonicContact OD1-CZ 3.53Å; D75-R78 IonicContact OD1-NH1 3.74Å; D75-R78 PolarHBondContact OD1-NH1 3.44Å; D75-R78 IonicContact OD1-NH2 3.73Å; D75-R78 PolarHBondContact OD1-NH2 3.05Å; D75-F79 PolarHBondContact O-N 3.3Å; D75-M125 HydrophobicContact CB-SD 4.29Å
76I94.9Very high92.6Very high1 Ų142 Ų421%0.00521%0.208CC..Hα-helixtrans-61.8-48.9173.3-66.1167.8000110.5L67 S72 D73 Q74 R78 F79 F80 L92 A104 V106L67-I76 HydrophobicContact CD2-CD1 3.68Å; L67-I76 HydrophobicContact CD2-CG1 3.59Å; S72-I76 WeakPolarHBondContact O-CG1 3.22Å; S72-I76 PolarHBondContact O-N 2.85Å; S72-I76 VanDerWaalsContact O-N 3.07Å; D73-I76 WeakPolarHBondContact O-CB 3.43Å; D73-I76 PolarHBondContact O-N 2.92Å; Q74-I76 VanDerWaalsContact C-N 3.34Å; I76-R78 VanDerWaalsContact C-N 3.28Å; I76-R78 PolarHBondContact O-N 2.93Å; I76-F79 WeakPolarHBondContact O-CB 3.22Å; I76-F79 PolarHBondContact O-N 3.18Å; I76-F79 VanDerWaalsContact O-N 3.1Å; I76-F80 HydrophobicContact CG2-CD2 3.9Å; I76-F80 HydrophobicContact CG2-CE2 4.1Å; I76-F80 WeakPolarHBondContact O-CD2 3.27Å; I76-F80 PolarHBondContact O-N 3.26Å; I76-L92 HydrophobicContact CD1-CD2 3.62Å; I76-L92 HydrophobicContact CD1-CG 4.32Å; I76-A104 HydrophobicContact CD1-CB 3.51Å; I76-V106 HydrophobicContact CG2-CG1 4.44Å; I76-V106 HydrophobicContact CG2-CG2 3.52Å
77A94.3Very high92.4Very high14 Ų1447 Ų4712%0.11622%0.224CC..Hα-helixtrans-60.2-39177.100000112.2F45 D73 Q74 F80 K81 I85F45-A77 HydrophobicContact CB-CB 3.48Å; F45-A77 VanDerWaalsContact CB-CB 3.48Å; F45-A77 HydrophobicContact CD1-CB 4.43Å; F45-A77 HydrophobicContact CD2-CB 4.41Å; F45-A77 HydrophobicContact CG-CB 3.86Å; D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 2.79Å; Q74-A77 PolarHBondContact O-N 2.74Å; A77-F80 CarbonylContact O-C 3.34Å; A77-F80 PolarHBondContact O-N 3.02Å; A77-K81 PolarHBondContact O-N 2.92Å; A77-I85 HydrophobicContact CB-CD1 4.15Å
78R93.6Very high92.1Very high137 Ų13747.2 Ų47.252%0.51723%0.228SC..Hα-helixtrans-65.2-38.7173.9-78.4-173.5-101.3106.52.2112.2Q74 D75 I76 F80 K81Q74-R78 WeakPolarHBondContact O-CB 3.19Å; Q74-R78 WeakPolarHBondContact O-CG 3.06Å; Q74-R78 PolarHBondContact O-N 3.33Å; D75-R78 PolarHBondContact O-N 2.85Å; D75-R78 IonicContact OD1-CZ 3.53Å; D75-R78 IonicContact OD1-NH1 3.74Å; D75-R78 PolarHBondContact OD1-NH1 3.44Å; D75-R78 IonicContact OD1-NH2 3.73Å; D75-R78 PolarHBondContact OD1-NH2 3.05Å; I76-R78 VanDerWaalsContact C-N 3.28Å; I76-R78 PolarHBondContact O-N 2.93Å; R78-F80 VanDerWaalsContact C-N 3.33Å; R78-K81 VanDerWaalsContact O-CB 3.28Å; R78-K81 WeakPolarHBondContact O-CB 3.48Å; R78-K81 PolarHBondContact O-N 2.96Å
79F95.5Very high92.1Very high21 Ų2145.6 Ų45.69%0.09222%0.217CC..Hα-helixtrans-65.1-36.5175177.9-92.6000112.5D75 I76 R120 H123 M125 I130 V132D75-F79 PolarHBondContact O-N 3.3Å; I76-F79 WeakPolarHBondContact O-CB 3.22Å; I76-F79 PolarHBondContact O-N 3.18Å; I76-F79 VanDerWaalsContact O-N 3.1Å; F79-R120 HydrophobicContact CE1-CB 3.8Å; F79-R120 HydrophobicContact CZ-CB 3.96Å; F79-R120 PolarHBondContact O-NH1 3.09Å; F79-H123 HydrophobicContact CE2-CB 3.68Å; F79-H123 HydrophobicContact CZ-CB 3.82Å; F79-M125 HydrophobicContact CB-CE 3.41Å; F79-M125 VanDerWaalsContact CB-CE 3.41Å; F79-M125 HydrophobicContact CD2-CB 4.07Å; F79-M125 HydrophobicContact CD2-CE 4.17Å; F79-M125 HydrophobicContact CG-CE 3.82Å; F79-I130 HydrophobicContact CD2-CG1 4.12Å; F79-I130 HydrophobicContact CE1-CB 4.19Å; F79-I130 HydrophobicContact CE1-CG2 4.02Å; F79-I130 HydrophobicContact CE2-CB 3.82Å; F79-I130 HydrophobicContact CE2-CG1 3.68Å; F79-I130 HydrophobicContact CZ-CB 3.57Å; F79-I130 HydrophobicContact CZ-CG1 3.95Å; F79-I130 HydrophobicContact CZ-CG2 3.91Å; F79-V132 HydrophobicContact CE1-CG2 4.1Å; F79-V132 HydrophobicContact CZ-CG2 4.5Å
80F96.2Very high92.5Very high1 Ų137.5 Ų37.50%0.00419%0.187CC..THydrogen-bonded Turntrans-94.419.9174.9-65.9-67.9000114V62 A64 I76 A77 R78 G82 L83 I85 V106 F108 A117 R120 V132V62-F80 HydrophobicContact CG2-CZ 4.22Å; A64-F80 HydrophobicContact CB-CE2 4.45Å; A64-F80 HydrophobicContact CB-CZ 4.46Å; I76-F80 HydrophobicContact CG2-CD2 3.9Å; I76-F80 HydrophobicContact CG2-CE2 4.1Å; I76-F80 WeakPolarHBondContact O-CD2 3.27Å; I76-F80 PolarHBondContact O-N 3.26Å; A77-F80 CarbonylContact O-C 3.34Å; A77-F80 PolarHBondContact O-N 3.02Å; R78-F80 VanDerWaalsContact C-N 3.33Å; F80-G82 PolarHBondContact O-N 2.64Å; F80-L83 HydrophobicContact CD1-CD1 4.33Å; F80-L83 WeakPolarHBondContact O-CB 3.35Å; F80-L83 PolarHBondContact O-N 2.82Å; F80-I85 HydrophobicContact CB-CD1 4.24Å; F80-V106 HydrophobicContact CD2-CG1 4.43Å; F80-V106 HydrophobicContact CD2-CG2 4.48Å; F80-V106 HydrophobicContact CE2-CG2 4.04Å; F80-F108 HydrophobicContact CB-CE1 4.1Å; F80-F108 HydrophobicContact CB-CZ 4.2Å; F80-F108 HydrophobicContact CD1-CE1 4.45Å; F80-F108 AromaticContact CD1-CZ 3.85Å; F80-F108 HydrophobicContact CD1-CZ 3.85Å; F80-F108 HydrophobicContact CD2-CZ 4.19Å; F80-F108 HydrophobicContact CE1-CZ 4.25Å; F80-F108 HydrophobicContact CG-CE1 4.24Å; F80-F108 AromaticContact CG-CZ 3.82Å; F80-F108 HydrophobicContact CG-CZ 3.82Å; F80-A117 HydrophobicContact CD1-CB 3.83Å; F80-A117 HydrophobicContact CE1-CB 3.73Å; F80-R120 HydrophobicContact CD1-CB 4.48Å; F80-R120 HydrophobicContact CD1-CG 4.17Å; F80-R120 HydrophobicContact CE1-CB 4.13Å; F80-R120 HydrophobicContact CE1-CG 4.3Å; F80-V132 HydrophobicContact CE1-CG1 4.28Å; F80-V132 HydrophobicContact CE1-CG2 4.17Å; F80-V132 HydrophobicContact CZ-CG1 4.11Å; F80-V132 HydrophobicContact CZ-CG2 3.99Å
81K92.9Very high92.9Very high119 Ų11930 Ų3052%0.51715%0.152SC..THydrogen-bonded Turntrans-52.7136.6179.4-174.3177.9-175.6-178.30111.4A77 R78 R120A77-K81 PolarHBondContact O-N 2.92Å; R78-K81 VanDerWaalsContact O-CB 3.28Å; R78-K81 WeakPolarHBondContact O-CB 3.48Å; R78-K81 PolarHBondContact O-N 2.96Å; K81-R120 VanDerWaalsContact O-CZ 3.29Å; K81-R120 PolarHBondContact O-NH1 3.34Å; K81-R120 PolarHBondContact O-NH2 3.03Å
82G91.6Very high93.1Very high37 Ų3730 Ų3038%0.38115%0.152SC..THydrogen-bonded Turntrans97.1-13.8-172.200000113.5F80F80-G82 PolarHBondContact O-N 2.64Å
83L95.4Very high93.2Very high16 Ų1630.1 Ų30.18%0.08415%0.152CC..SBendtrans-116.7136.5177-51.8175.7000109.6F80 I85 F108 L116 A117F80-L83 HydrophobicContact CD1-CD1 4.33Å; F80-L83 WeakPolarHBondContact O-CB 3.35Å; F80-L83 PolarHBondContact O-N 2.82Å; L83-I85 PolarHBondContact O-N 2.89Å; L83-F108 HydrophobicContact CB-CD1 4.03Å; L83-F108 HydrophobicContact CB-CE1 3.78Å; L83-F108 HydrophobicContact CD1-CE1 4.16Å; L83-L116 HydrophobicContact CD1-CB 4.22Å; L83-L116 HydrophobicContact CD2-CB 3.64Å; L83-L116 HydrophobicContact CD2-CD1 3.86Å; L83-L116 HydrophobicContact CD2-CG 4.42Å; L83-A117 VanDerWaalsContact CD1-CA 3.5Å; L83-A117 HydrophobicContact CD1-CB 3.66Å
84N94.7Very high93.1Very high12 Ų1230.9 Ų30.96%0.06416%0.156CC..  trans-79.1109.4178-67.2-29.8000111.1R40 V41 N42 F108 V109 H113R40-N84 PolarHBondContact O-ND2 2.84Å; V41-N84 WeakPolarHBondContact CA-OD1 3.41Å; N42-N84 PolarHBondContact N-OD1 2.75Å; N84-F108 WeakPolarHBondContact O-CA 3.32Å; N84-F108 WeakPolarHBondContact O-CD1 3.11Å; N84-V109 HydrophobicContact CB-CB 4.36Å; N84-V109 HydrophobicContact CB-CG1 3.89Å; N84-V109 HydrophobicContact CB-CG2 3.52Å; N84-V109 PolarHBondContact O-N 2.97Å; N84-H113 WeakPolarHBondContact CB-ND1 3.27Å; N84-H113 PolarHBondContact N-CE1 3.47Å; N84-H113 PolarHBondContact N-ND1 3.31Å
85I95.6Very high93Very high17 Ų1730.8 Ų30.89%0.08716%0.158CC..EExtended strand (participates in β ladder)trans-82.9136.6167.1-55.5175.6000108F45 A77 F80 L83 V106 R107 F108F45-I85 HydrophobicContact CD2-CB 4Å; F45-I85 HydrophobicContact CD2-CD1 4.5Å; F45-I85 HydrophobicContact CD2-CG2 4.01Å; F45-I85 HydrophobicContact CE2-CB 4.05Å; F45-I85 HydrophobicContact CE2-CG2 3.54Å; A77-I85 HydrophobicContact CB-CD1 4.15Å; F80-I85 HydrophobicContact CB-CD1 4.24Å; L83-I85 PolarHBondContact O-N 2.89Å; I85-V106 HydrophobicContact CD1-CG1 3.77Å; I85-V106 HydrophobicContact CG1-CG1 3.92Å; I85-V106 HydrophobicContact CG2-CG1 3.82Å; I85-R107 VanDerWaalsContact CG2-O 3.26Å; I85-R107 WeakPolarHBondContact CG2-O 3.28Å; I85-F108 HydrophobicContact CG1-CD1 4.07Å; I85-F108 HydrophobicContact CG1-CE1 3.76Å
86A93.6Very high92.2Very high15 Ų1532.8 Ų32.812%0.12418%0.179CC..EExtended strand (participates in β ladder)trans-62.3155.5175.800000111.3G88 G89 R107 V109A86-G88 PolarHBondContact O-N 2.78Å; A86-G89 VanDerWaalsContact O-CA 3.29Å; A86-G89 WeakPolarHBondContact O-CA 3.35Å; A86-G89 PolarHBondContact O-N 3.16Å; A86-R107 HydrophobicContact CB-CG 4.12Å; A86-R107 PolarHBondContact N-O 3.48Å; A86-V109 HydrophobicContact CB-CG1 4.44Å
87K89.8Confident91.3Very high125 Ų12538 Ų3854%0.54320%0.204SC..EExtended strand (participates in β ladder)trans-57128.4174.3178.6176.9178.1178.60110.1E46 G89E46-K87 HydrophobicContact CB-CB 4.26Å; E46-K87 HydrophobicContact CB-CG 4.01Å; E46-K87 WeakPolarHBondContact O-CA 3.41Å; K87-G89 PolarHBondContact O-N 2.83Å; K87-G89 VanDerWaalsContact O-N 3.13Å
88G88.1Confident90.6Very high8 Ų837.3 Ų37.38%0.08220%0.198CC..EExtended strand (participates in β ladder)trans66.17.1-173.700000114.4E46 G48 A86 A90E46-G88 PolarHBondContact O-N 3.43Å; G48-G88 VanDerWaalsContact O-CA 3.29Å; G48-G88 WeakPolarHBondContact O-CA 3.24Å; A86-G88 PolarHBondContact O-N 2.78Å; G88-A90 PolarHBondContact O-N 3.35Å
89G92.6Very high90.2Very high1 Ų138.3 Ų38.31%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-74.115.2-174.700000114.9A86 K87 V106 R107A86-G89 VanDerWaalsContact O-CA 3.29Å; A86-G89 WeakPolarHBondContact O-CA 3.35Å; A86-G89 PolarHBondContact O-N 3.16Å; K87-G89 PolarHBondContact O-N 2.83Å; K87-G89 VanDerWaalsContact O-N 3.13Å; G89-V106 CarbonylContact O-C 3.59Å; G89-V106 VanDerWaalsContact O-CA 3.22Å; G89-V106 WeakPolarHBondContact O-CA 3.14Å; G89-R107 PolarHBondContact O-N 2.79Å
90A94.4Very high89.8Confident4 Ų438.6 Ų38.63%0.03320%0.202CC..EExtended strand (participates in β ladder)trans-124.3111.9176.800000110.3F45 D73 G88F45-A90 HydrophobicContact CE1-CB 4.13Å; F45-A90 HydrophobicContact CE2-CB 4.17Å; F45-A90 HydrophobicContact CZ-CB 3.59Å; D73-A90 HydrophobicContact CB-CB 3.95Å; G88-A90 PolarHBondContact O-N 3.35Å
91A93.6Very high89.5Confident0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-120109.9-175.600000110.7A104 L105 F140 I143 A144 A242A91-A104 CarbonylContact O-C 3.49Å; A91-A104 WeakPolarHBondContact O-CA 3.37Å; A91-A104 WeakPolarHBondContact O-CB 3.44Å; A91-L105 PolarHBondContact N-O 3.49Å; A91-L105 PolarHBondContact O-N 2.91Å; A91-F140 HydrophobicContact CB-CD2 4.48Å; A91-F140 HydrophobicContact CB-CE2 3.91Å; A91-F140 HydrophobicContact CB-CZ 4.24Å; A91-I143 HydrophobicContact CB-CG2 3.94Å; A91-A144 HydrophobicContact CB-CB 3.97Å; A91-A242 HydrophobicContact CB-CB 3.83Å
92L93.8Very high89.4Confident6 Ų636 Ų363%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-73.2131.7173.4-69.1168.1000109.9L67 I76 A104 T240 Q246L67-L92 HydrophobicContact CD2-CD2 4.22Å; I76-L92 HydrophobicContact CD1-CD2 3.62Å; I76-L92 HydrophobicContact CD1-CG 4.32Å; L92-A104 HydrophobicContact CD2-CB 4.26Å; L92-T240 HydrophobicContact CD1-CG2 4.21Å; L92-Q246 PolarHBondContact O-NE2 2.86Å
93C92.3Very high89.6Confident9 Ų935.8 Ų35.86%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-86136178.4-59.70000111.1N101 E103C93-N101 WeakPolarHBondContact CB-OD1 2.9Å; C93-N101 PolarHBondContact O-N 2.7Å; C93-N101 PolarHBondContact O-OD1 2.98Å; C93-N101 VanDerWaalsContact O-OD1 3.04Å; C93-E103 HydrophobicContact CB-CB 4.1Å; C93-E103 WeakPolarHBondContact CB-O 3.35Å; C93-E103 PolarHBondContact N-O 3.29Å
94L89.7Confident89.7Confident19 Ų1935 Ų3510%0.09918%0.18CC..EExtended strand (participates in β ladder)trans-103.9143.8173.8-57-175.7000111.6R99 R100 E243 Q246 V247L94-R99 CarbonylContact C-O 3.51Å; L94-R99 WeakPolarHBondContact CA-O 3.36Å; L94-R100 HydrophobicContact CD2-CG 3.97Å; L94-E243 HydrophobicContact CD1-CG 4Å; L94-E243 HydrophobicContact CD2-CG 4.16Å; L94-E243 HydrophobicContact CG-CG 4.41Å; L94-Q246 HydrophobicContact CD1-CB 4.02Å; L94-V247 HydrophobicContact CD1-CG2 3.5Å
95N87Confident89.8Confident47 Ų4734.8 Ų34.825%0.25118%0.179SC..  trans-74.5175.3167.572.95.8000111.6Q97 G98 R99 N101 R250N95-Q97 PolarHBondContact ND2-OE1 2.96Å; N95-Q97 PolarHBondContact O-N 3.48Å; N95-Q97 VanDerWaalsContact O-N 3.13Å; N95-Q97 WeakPolarHBondContact OD1-CA 3.45Å; N95-Q97 PolarHBondContact OD1-N 2.75Å; N95-Q97 PolarHBondContact OD1-OE1 3.42Å; N95-G98 WeakPolarHBondContact O-CA 3.42Å; N95-G98 PolarHBondContact O-N 3.04Å; N95-G98 PolarHBondContact OD1-N 3.37Å; N95-R99 VanDerWaalsContact CG-O 3.32Å; N95-R99 PolarHBondContact N-O 3.32Å; N95-R99 PolarHBondContact OD1-N 2.86Å; N95-R99 PolarHBondContact OD1-O 2.77Å; N95-N101 HydrophobicContact CB-CB 4.24Å; N95-R250 PolarHBondContact O-NH2 3.27Å
96A76.6Confident89.8Confident80 Ų8034 Ų3466%0.66118%0.175SC*.THydrogen-bonded Turntrans-55.7-30.2178.700000114G98 R250A96-G98 VanDerWaalsContact C-N 3.29Å; A96-G98 PolarHBondContact O-N 2.83Å; A96-R250 PolarHBondContact O-NE 3.37Å; A96-R250 PolarHBondContact O-NH1 3.22Å
97Q76.4Confident90Very high110 Ų11035 Ų3551%0.51418%0.176SC..THydrogen-bonded Turntrans-85.11.9176-56.980.815.600113.5N95 R99 R166N95-Q97 PolarHBondContact ND2-OE1 2.96Å; N95-Q97 PolarHBondContact O-N 3.48Å; N95-Q97 VanDerWaalsContact O-N 3.13Å; N95-Q97 WeakPolarHBondContact OD1-CA 3.45Å; N95-Q97 PolarHBondContact OD1-N 2.75Å; N95-Q97 PolarHBondContact OD1-OE1 3.42Å; Q97-R99 VanDerWaalsContact C-N 3.3Å; Q97-R99 PolarHBondContact O-N 3.38Å; Q97-R166 PolarHBondContact O-NH2 3.39Å
98G79.8Confident90.3Very high0 Ų029.1 Ų29.10%015%0.15CC..SBendtrans75.718.4177.700000114.3N95 A96 R164 R166N95-G98 WeakPolarHBondContact O-CA 3.42Å; N95-G98 PolarHBondContact O-N 3.04Å; N95-G98 PolarHBondContact OD1-N 3.37Å; A96-G98 VanDerWaalsContact C-N 3.29Å; A96-G98 PolarHBondContact O-N 2.83Å; G98-R164 PolarHBondContact O-NH1 3.04Å; G98-R164 PolarHBondContact O-NH2 3.3Å; G98-R166 PolarHBondContact O-NH1 2.94Å
99R84.2Confident90.6Very high158 Ų15832.5 Ų32.560%0.59617%0.169SC*.SBendtrans-93.2150.3170.5-66.8174.6179.2-179.60.3108.7L94 N95 Q97 N101L94-R99 CarbonylContact C-O 3.51Å; L94-R99 WeakPolarHBondContact CA-O 3.36Å; N95-R99 VanDerWaalsContact CG-O 3.32Å; N95-R99 PolarHBondContact N-O 3.32Å; N95-R99 PolarHBondContact OD1-N 2.86Å; N95-R99 PolarHBondContact OD1-O 2.77Å; Q97-R99 VanDerWaalsContact C-N 3.3Å; Q97-R99 PolarHBondContact O-N 3.38Å; R99-N101 PolarHBondContact O-N 3.27Å
100R87.7Confident90.7Very high27 Ų2733.9 Ų33.910%0.10218%0.178CC..EExtended strand (participates in β ladder)trans-61128.4173-66.4174.1-175.516711.2109.1W69 S71 L94 G102 R238 E243W69-R100 VanDerWaalsContact O-CD 3.32Å; W69-R100 WeakPolarHBondContact O-CD 3.47Å; S71-R100 PolarHBondContact O-NH1 2.83Å; L94-R100 HydrophobicContact CD2-CG 3.97Å; R100-G102 VanDerWaalsContact C-N 3.33Å; R100-R238 PolarHBondContact NH1-O 2.73Å; R100-R238 PolarHBondContact NH2-O 3.39Å; R100-E243 IonicContact CZ-OE2 3.74Å; R100-E243 IonicContact NE-OE2 3.62Å; R100-E243 PolarHBondContact NE-OE2 3.29Å; R100-E243 IonicContact NH2-OE1 2.69Å; R100-E243 IonicContact NH2-OE2 3.5Å; R100-E243 PolarHBondContact NH2-OE2 3.01Å
101N89Confident90.8Very high58 Ų5838.1 Ų38.131%0.3120%0.198SC..EExtended strand (participates in β ladder)trans-88.7-3179.469.8-10.1000112.8C93 N95 R99 E103C93-N101 WeakPolarHBondContact CB-OD1 2.9Å; C93-N101 PolarHBondContact O-N 2.7Å; C93-N101 PolarHBondContact O-OD1 2.98Å; C93-N101 VanDerWaalsContact O-OD1 3.04Å; N95-N101 HydrophobicContact CB-CB 4.24Å; R99-N101 PolarHBondContact O-N 3.27Å; N101-E103 PolarHBondContact ND2-OE2 2.91Å; N101-E103 WeakPolarHBondContact OD1-CB 3.29Å; N101-E103 PolarHBondContact OD1-N 3.18Å
102G91.8Very high90.8Very high6 Ų644.7 Ų44.76%0.06223%0.228CC..EExtended strand (participates in β ladder)trans83.821.5-175.400000113.4R65 G66 L67 R100R65-G102 CarbonylContact C-O 3.53Å; G66-G102 PolarHBondContact N-O 3.35Å; L67-G102 WeakPolarHBondContact CD1-O 3.11Å; L67-G102 PolarHBondContact N-O 2.95Å; L67-G102 WeakPolarHBondContact O-CA 3.17Å; R100-G102 VanDerWaalsContact C-N 3.33Å
103E95.2Very high90.9Very high33 Ų3344.5 Ų44.515%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-121.8153.1174-49-176.2130.400111.1R63 A64 R65 C93 N101R63-E103 IonicContact CZ-OE1 3.23Å; R63-E103 IonicContact CZ-OE2 2.87Å; R63-E103 IonicContact NE-OE1 3.64Å; R63-E103 IonicContact NE-OE2 3.09Å; R63-E103 VanDerWaalsContact NH2-CD 3.28Å; R63-E103 IonicContact NH2-OE1 3.54Å; R63-E103 PolarHBondContact NH2-OE1 3.39Å; R63-E103 VanDerWaalsContact NH2-OE1 3.13Å; R63-E103 IonicContact NH2-OE2 3.99Å; R63-E103 PolarHBondContact NH2-OE2 2.87Å; A64-E103 CarbonylContact O-C 3.58Å; A64-E103 VanDerWaalsContact O-CA 3.24Å; A64-E103 WeakPolarHBondContact O-CA 3.36Å; R65-E103 HydrophobicContact CB-CG 4.47Å; R65-E103 WeakPolarHBondContact CD-OE1 3.28Å; R65-E103 HydrophobicContact CG-CG 3.99Å; R65-E103 IonicContact CZ-OE1 2.77Å; R65-E103 IonicContact NE-OE1 3.79Å; R65-E103 PolarHBondContact NE-OE1 3.29Å; R65-E103 IonicContact NH2-OE1 3.08Å; C93-E103 HydrophobicContact CB-CB 4.1Å; C93-E103 WeakPolarHBondContact CB-O 3.35Å; C93-E103 PolarHBondContact N-O 3.29Å; N101-E103 PolarHBondContact ND2-OE2 2.91Å; N101-E103 WeakPolarHBondContact OD1-CB 3.29Å; N101-E103 PolarHBondContact OD1-N 3.18Å
104A96.9Very high91.1Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-144.9151172.900000111R63 A64 L67 I76 A91 L92R63-A104 CarbonylContact C-O 3.51Å; R63-A104 WeakPolarHBondContact CA-O 3.43Å; A64-A104 PolarHBondContact N-O 3.27Å; A64-A104 PolarHBondContact O-N 2.82Å; L67-A104 HydrophobicContact CD2-CB 3.86Å; I76-A104 HydrophobicContact CD1-CB 3.51Å; A91-A104 CarbonylContact O-C 3.49Å; A91-A104 WeakPolarHBondContact O-CA 3.37Å; A91-A104 WeakPolarHBondContact O-CB 3.44Å; L92-A104 HydrophobicContact CD2-CB 4.26Å
105L96.8Very high91.5Very high7 Ų746.5 Ų46.54%0.03724%0.237CC..EExtended strand (participates in β ladder)trans-103.9134.4165.5-70.2164.1000108.9V61 V62 R63 A91 A135 D139 F140 I143V61-L105 HydrophobicContact CG1-CD2 4.24Å; V62-L105 WeakPolarHBondContact O-CA 3.43Å; R63-L105 HydrophobicContact CB-CD2 3.81Å; R63-L105 HydrophobicContact CG-CD2 4.1Å; A91-L105 PolarHBondContact N-O 3.49Å; A91-L105 PolarHBondContact O-N 2.91Å; L105-A135 HydrophobicContact CD2-CB 3.58Å; L105-D139 VanDerWaalsContact CD1-C 3.46Å; L105-D139 HydrophobicContact CD1-CB 4.18Å; L105-D139 WeakPolarHBondContact CD1-O 3.49Å; L105-F140 HydrophobicContact CB-CD2 3.78Å; L105-F140 HydrophobicContact CB-CE2 4.45Å; L105-I143 HydrophobicContact CD1-CB 4.27Å; L105-I143 HydrophobicContact CD1-CG1 3.78Å
106V97.2Very high92Very high0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-128.7121.6-176.5-170.50000109.1V61 V62 I76 F80 I85 G89 F108V61-V106 WeakPolarHBondContact CA-O 3.31Å; V62-V106 HydrophobicContact CG2-CB 3.91Å; V62-V106 HydrophobicContact CG2-CG2 4.48Å; V62-V106 PolarHBondContact N-O 2.82Å; V62-V106 PolarHBondContact O-N 2.81Å; I76-V106 HydrophobicContact CG2-CG1 4.44Å; I76-V106 HydrophobicContact CG2-CG2 3.52Å; F80-V106 HydrophobicContact CD2-CG1 4.43Å; F80-V106 HydrophobicContact CD2-CG2 4.48Å; F80-V106 HydrophobicContact CE2-CG2 4.04Å; I85-V106 HydrophobicContact CD1-CG1 3.77Å; I85-V106 HydrophobicContact CG1-CG1 3.92Å; I85-V106 HydrophobicContact CG2-CG1 3.82Å; G89-V106 CarbonylContact O-C 3.59Å; G89-V106 VanDerWaalsContact O-CA 3.22Å; G89-V106 WeakPolarHBondContact O-CA 3.14Å; V106-F108 HydrophobicContact CB-CE2 4.29Å; V106-F108 HydrophobicContact CB-CZ 4.49Å; V106-F108 HydrophobicContact CG1-CE1 4.39Å; V106-F108 HydrophobicContact CG1-CE2 4Å; V106-F108 HydrophobicContact CG1-CZ 3.86Å
107R96.3Very high92.9Very high37 Ų3744.1 Ų44.114%0.1421%0.213CC..EExtended strand (participates in β ladder)trans-100121.4176176.4-178.5174-164.1-0.8109.9E54 I56 V61 I85 A86 G89 F140E54-R107 IonicContact OE1-CZ 2.94Å; E54-R107 VanDerWaalsContact OE1-CZ 3.25Å; E54-R107 IonicContact OE1-NH1 3.31Å; E54-R107 PolarHBondContact OE1-NH1 3.08Å; E54-R107 IonicContact OE1-NH2 3.9Å; E54-R107 PolarHBondContact OE1-NH2 2.87Å; E54-R107 IonicContact OE2-NH1 3.5Å; E54-R107 PolarHBondContact OE2-NH1 3.38Å; I56-R107 HydrophobicContact CG2-CG 4.27Å; V61-R107 HydrophobicContact CG2-CB 4.25Å; V61-R107 HydrophobicContact CG2-CG 4.37Å; I85-R107 VanDerWaalsContact CG2-O 3.26Å; I85-R107 WeakPolarHBondContact CG2-O 3.28Å; A86-R107 HydrophobicContact CB-CG 4.12Å; A86-R107 PolarHBondContact N-O 3.48Å; G89-R107 PolarHBondContact O-N 2.79Å; R107-F140 HydrophobicContact CB-CD2 4.14Å; R107-F140 HydrophobicContact CB-CE2 3.99Å; R107-F140 HydrophobicContact CB-CZ 4.26Å
108F96.6Very high94Very high1 Ų140.8 Ų40.80%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-90.1166.6173.2-63.8-84.9000111.2T60 V62 F80 L83 N84 I85 V106 S110 H113 R114 A117T60-F108 PolarHBondContact O-N 2.89Å; V62-F108 HydrophobicContact CB-CE2 4.44Å; V62-F108 HydrophobicContact CG1-CD2 4.48Å; V62-F108 HydrophobicContact CG1-CE2 3.99Å; V62-F108 HydrophobicContact CG2-CE2 3.65Å; V62-F108 HydrophobicContact CG2-CZ 4.4Å; F80-F108 HydrophobicContact CB-CE1 4.1Å; F80-F108 HydrophobicContact CB-CZ 4.2Å; F80-F108 HydrophobicContact CD1-CE1 4.45Å; F80-F108 AromaticContact CD1-CZ 3.85Å; F80-F108 HydrophobicContact CD1-CZ 3.85Å; F80-F108 HydrophobicContact CD2-CZ 4.19Å; F80-F108 HydrophobicContact CE1-CZ 4.25Å; F80-F108 HydrophobicContact CG-CE1 4.24Å; F80-F108 AromaticContact CG-CZ 3.82Å; F80-F108 HydrophobicContact CG-CZ 3.82Å; L83-F108 HydrophobicContact CB-CD1 4.03Å; L83-F108 HydrophobicContact CB-CE1 3.78Å; L83-F108 HydrophobicContact CD1-CE1 4.16Å; N84-F108 WeakPolarHBondContact O-CA 3.32Å; N84-F108 WeakPolarHBondContact O-CD1 3.11Å; I85-F108 HydrophobicContact CG1-CD1 4.07Å; I85-F108 HydrophobicContact CG1-CE1 3.76Å; V106-F108 HydrophobicContact CB-CE2 4.29Å; V106-F108 HydrophobicContact CB-CZ 4.49Å; V106-F108 HydrophobicContact CG1-CE1 4.39Å; V106-F108 HydrophobicContact CG1-CE2 4Å; V106-F108 HydrophobicContact CG1-CZ 3.86Å; F108-S110 VanDerWaalsContact C-N 3.29Å; F108-H113 HydrophobicContact CB-CB 3.72Å; F108-H113 HydrophobicContact CD1-CB 4.04Å; F108-H113 HydrophobicContact CG-CB 4.07Å; F108-R114 HydrophobicContact CD2-CB 4.15Å; F108-A117 HydrophobicContact CD2-CB 4.26Å; F108-A117 HydrophobicContact CE1-CB 4.05Å; F108-A117 HydrophobicContact CE2-CB 3.42Å; F108-A117 VanDerWaalsContact CE2-CB 3.42Å; F108-A117 HydrophobicContact CZ-CB 3.3Å
109V94.9Very high94.8Very high79 Ų7947.5 Ų47.548%0.47923%0.229SC..SBendtrans-74.3-19.5177.6-59.50000113.3N84 A86N84-V109 HydrophobicContact CB-CB 4.36Å; N84-V109 HydrophobicContact CB-CG1 3.89Å; N84-V109 HydrophobicContact CB-CG2 3.52Å; N84-V109 PolarHBondContact O-N 2.97Å; A86-V109 HydrophobicContact CB-CG1 4.44Å
110S94.6Very high95.3Very high30 Ų3043 Ų4321%0.2121%0.212CC..SBendtrans-149159.7-176.3650000112F108 E112 H113 R114F108-S110 VanDerWaalsContact C-N 3.29Å; S110-E112 VanDerWaalsContact C-N 3.3Å; S110-H113 PolarHBondContact O-N 2.91Å; S110-H113 PolarHBondContact OG-N 2.99Å; S110-R114 PolarHBondContact O-N 3.32Å
111E95.9Very high95.7Very high94 Ų9445 Ų4544%0.43922%0.223SC..Hα-helixtrans-60.1-40.9172178.5162.6-147.500111.7H113 R114 D115E111-H113 VanDerWaalsContact C-N 3.29Å; E111-H113 PolarHBondContact O-N 3.02Å; E111-R114 CarbonylContact O-C 3.46Å; E111-R114 WeakPolarHBondContact O-CA 3.39Å; E111-R114 VanDerWaalsContact O-CB 3.31Å; E111-R114 WeakPolarHBondContact O-CB 3.48Å; E111-R114 PolarHBondContact O-N 3.11Å; E111-R114 IonicContact OE1-CZ 2.66Å; E111-R114 IonicContact OE1-NH2 3.69Å; E111-R114 PolarHBondContact OE1-NH2 3.09Å; E111-D115 PolarHBondContact O-N 3.38Å
112E94.5Very high96Very high138 Ų13846.7 Ų46.765%0.64523%0.227SC*.Hα-helixtrans-58.1-43.6179.4-63.3179.317800111.2S110 D115 L116S110-E112 VanDerWaalsContact C-N 3.3Å; E112-D115 PolarHBondContact O-N 3.03Å; E112-L116 WeakPolarHBondContact O-CG 3.28Å; E112-L116 PolarHBondContact O-N 3.05Å
113H96.1Very high96.1Very high2 Ų251 Ų511%0.00925%0.246CC..Hα-helixtrans-65.9-38.1175.2-80.5-157.8000113E39 N84 F108 S110 E111 D115 A117E39-H113 VanDerWaalsContact CD-NE2 3.34Å; E39-H113 IonicContact OE1-CD2 2.79Å; E39-H113 IonicContact OE1-CE1 3.12Å; E39-H113 PolarHBondContact OE1-CE1 3.03Å; E39-H113 IonicContact OE1-NE2 2.63Å; E39-H113 PolarHBondContact OE1-NE2 2.84Å; E39-H113 IonicContact OE2-NE2 3.77Å; E39-H113 PolarHBondContact OE2-NE2 3.39Å; N84-H113 WeakPolarHBondContact CB-ND1 3.27Å; N84-H113 PolarHBondContact N-CE1 3.47Å; N84-H113 PolarHBondContact N-ND1 3.31Å; F108-H113 HydrophobicContact CB-CB 3.72Å; F108-H113 HydrophobicContact CD1-CB 4.04Å; F108-H113 HydrophobicContact CG-CB 4.07Å; S110-H113 PolarHBondContact O-N 2.91Å; S110-H113 PolarHBondContact OG-N 2.99Å; E111-H113 VanDerWaalsContact C-N 3.29Å; E111-H113 PolarHBondContact O-N 3.02Å; H113-D115 VanDerWaalsContact C-N 3.34Å; H113-A117 VanDerWaalsContact O-CB 3.32Å; H113-A117 WeakPolarHBondContact O-CB 3.46Å; H113-A117 PolarHBondContact O-N 3.13Å
114R97Very high96Very high10 Ų1055.6 Ų55.64%0.03827%0.267CS..Hα-helixtrans-61-44.9173.2-175.9-72.4-54.4-94.9-0.1110.4S59 V62 F108 S110 E111 A117 L118S59-R114 VanDerWaalsContact O-CB 3.29Å; S59-R114 WeakPolarHBondContact O-CB 3.45Å; S59-R114 WeakPolarHBondContact O-CG 3.35Å; S59-R114 PolarHBondContact O-NE 3.37Å; S59-R114 PolarHBondContact O-NH1 3.33Å; S59-R114 VanDerWaalsContact O-NH1 3.1Å; V62-R114 HydrophobicContact CG1-CG 3.66Å; F108-R114 HydrophobicContact CD2-CB 4.15Å; S110-R114 PolarHBondContact O-N 3.32Å; E111-R114 CarbonylContact O-C 3.46Å; E111-R114 WeakPolarHBondContact O-CA 3.39Å; E111-R114 VanDerWaalsContact O-CB 3.31Å; E111-R114 WeakPolarHBondContact O-CB 3.48Å; E111-R114 PolarHBondContact O-N 3.11Å; E111-R114 IonicContact OE1-CZ 2.66Å; E111-R114 IonicContact OE1-NH2 3.69Å; E111-R114 PolarHBondContact OE1-NH2 3.09Å; R114-A117 VanDerWaalsContact O-CB 3.31Å; R114-A117 WeakPolarHBondContact O-CB 3.33Å; R114-A117 PolarHBondContact O-N 3.39Å; R114-L118 WeakPolarHBondContact O-CG 3.43Å; R114-L118 PolarHBondContact O-N 2.77Å; R114-L118 VanDerWaalsContact O-N 3.14Å
115D97.3Very high95.7Very high60 Ų6056.6 Ų56.632%0.32127%0.272SS..Hα-helixtrans-67.9-40.5-179.4-75.3-16.7000112.5E111 E112 H113 A117 L118 K134E111-D115 PolarHBondContact O-N 3.38Å; E112-D115 PolarHBondContact O-N 3.03Å; H113-D115 VanDerWaalsContact C-N 3.34Å; D115-A117 VanDerWaalsContact C-N 3.28Å; D115-A117 PolarHBondContact O-N 3.28Å; D115-L118 WeakPolarHBondContact O-CB 3.31Å; D115-L118 PolarHBondContact O-N 3.08Å; D115-K134 IonicContact OD1-NZ 3.56Å
116L96.6Very high95.3Very high77 Ų7759.6 Ų59.640%0.40331%0.305SS..Hα-helixtrans-63-35.5170.3-69.1172.1000111.9L83 E112 L118 Q119L83-L116 HydrophobicContact CD1-CB 4.22Å; L83-L116 HydrophobicContact CD2-CB 3.64Å; L83-L116 HydrophobicContact CD2-CD1 3.86Å; L83-L116 HydrophobicContact CD2-CG 4.42Å; E112-L116 WeakPolarHBondContact O-CG 3.28Å; E112-L116 PolarHBondContact O-N 3.05Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 PolarHBondContact O-N 2.73Å; L116-Q119 WeakPolarHBondContact O-CB 3.46Å; L116-Q119 PolarHBondContact O-N 3.24Å; L116-Q119 VanDerWaalsContact O-N 3.12Å
117A97.3Very high94.8Very high0 Ų066 Ų660%034%0.344CS..Hα-helixtrans-63.6-33.6175.900000112.4V62 F80 L83 F108 H113 R114 D115 Q119 R120V62-A117 HydrophobicContact CG1-CB 4.25Å; F80-A117 HydrophobicContact CD1-CB 3.83Å; F80-A117 HydrophobicContact CE1-CB 3.73Å; L83-A117 VanDerWaalsContact CD1-CA 3.5Å; L83-A117 HydrophobicContact CD1-CB 3.66Å; F108-A117 HydrophobicContact CD2-CB 4.26Å; F108-A117 HydrophobicContact CE1-CB 4.05Å; F108-A117 HydrophobicContact CE2-CB 3.42Å; F108-A117 VanDerWaalsContact CE2-CB 3.42Å; F108-A117 HydrophobicContact CZ-CB 3.3Å; H113-A117 VanDerWaalsContact O-CB 3.32Å; H113-A117 WeakPolarHBondContact O-CB 3.46Å; H113-A117 PolarHBondContact O-N 3.13Å; R114-A117 VanDerWaalsContact O-CB 3.31Å; R114-A117 WeakPolarHBondContact O-CB 3.33Å; R114-A117 PolarHBondContact O-N 3.39Å; D115-A117 VanDerWaalsContact C-N 3.28Å; D115-A117 PolarHBondContact O-N 3.28Å; A117-Q119 PolarHBondContact O-N 3.16Å; A117-R120 VanDerWaalsContact O-CB 3.27Å; A117-R120 WeakPolarHBondContact O-CB 3.38Å; A117-R120 PolarHBondContact O-N 2.9Å
118L97.7Very high94.7Very high39 Ų3968.7 Ų68.720%0.20435%0.354CS..Hα-helixtrans-62.9-29.4175.2-64.5168.8000112.1V62 R114 D115 L116 R120 H121 V132 K134V62-L118 HydrophobicContact CG1-CD2 4.14Å; V62-L118 HydrophobicContact CG1-CG 4.46Å; R114-L118 WeakPolarHBondContact O-CG 3.43Å; R114-L118 PolarHBondContact O-N 2.77Å; R114-L118 VanDerWaalsContact O-N 3.14Å; D115-L118 WeakPolarHBondContact O-CB 3.31Å; D115-L118 PolarHBondContact O-N 3.08Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 PolarHBondContact O-N 2.73Å; L118-R120 PolarHBondContact O-N 3.22Å; L118-H121 VanDerWaalsContact O-CB 3.25Å; L118-H121 WeakPolarHBondContact O-CB 3.3Å; L118-H121 PolarHBondContact O-N 3.36Å; L118-H121 VanDerWaalsContact O-N 3.07Å; L118-V132 HydrophobicContact CD2-CG1 4.18Å; L118-K134 HydrophobicContact CD1-CD 4.2Å; L118-K134 VanDerWaalsContact CD1-CE 3.42Å; L118-K134 HydrophobicContact CD1-CG 3.68Å; L118-K134 HydrophobicContact CD2-CG 4.03Å; L118-K134 HydrophobicContact CG-CG 4.49Å
119Q96.7Very high94.6Very high142 Ų14274.5 Ų74.566%0.66438%0.377SS*.THydrogen-bonded Turntrans-67.9-14.8175.9-54.2-175.615.800112.8L116 A117 H121 H123L116-Q119 WeakPolarHBondContact O-CB 3.46Å; L116-Q119 PolarHBondContact O-N 3.24Å; L116-Q119 VanDerWaalsContact O-N 3.12Å; A117-Q119 PolarHBondContact O-N 3.16Å; Q119-H121 PolarHBondContact O-N 3.17Å; Q119-H123 PolarHBondContact O-CE1 2.82Å
120R95.6Very high94.7Very high64 Ų6470.8 Ų70.824%0.24235%0.354CS..THydrogen-bonded Turntrans-773.2171.8-58.9-99.3167.4106.19112.7F79 F80 K81 A117 L118 K122 H123 V132F79-R120 HydrophobicContact CE1-CB 3.8Å; F79-R120 HydrophobicContact CZ-CB 3.96Å; F79-R120 PolarHBondContact O-NH1 3.09Å; F80-R120 HydrophobicContact CD1-CB 4.48Å; F80-R120 HydrophobicContact CD1-CG 4.17Å; F80-R120 HydrophobicContact CE1-CB 4.13Å; F80-R120 HydrophobicContact CE1-CG 4.3Å; K81-R120 VanDerWaalsContact O-CZ 3.29Å; K81-R120 PolarHBondContact O-NH1 3.34Å; K81-R120 PolarHBondContact O-NH2 3.03Å; A117-R120 VanDerWaalsContact O-CB 3.27Å; A117-R120 WeakPolarHBondContact O-CB 3.38Å; A117-R120 PolarHBondContact O-N 2.9Å; L118-R120 PolarHBondContact O-N 3.22Å; R120-K122 PolarHBondContact O-N 2.7Å; R120-H123 VanDerWaalsContact O-CB 3.24Å; R120-H123 WeakPolarHBondContact O-CB 3.37Å; R120-H123 PolarHBondContact O-N 3.16Å; R120-H123 PolarHBondContact O-ND1 3.27Å; R120-V132 HydrophobicContact CB-CG2 4.47Å
121H96.1Very high94.9Very high69 Ų6971.4 Ų71.432%0.31935%0.354SS..THydrogen-bonded Turntrans-54.6137.2176.8-171.185.6000111.4L118 Q119 H123 V132L118-H121 VanDerWaalsContact O-CB 3.25Å; L118-H121 WeakPolarHBondContact O-CB 3.3Å; L118-H121 PolarHBondContact O-N 3.36Å; L118-H121 VanDerWaalsContact O-N 3.07Å; Q119-H121 PolarHBondContact O-N 3.17Å; H121-H123 PolarHBondContact O-N 2.8Å; H121-H123 VanDerWaalsContact O-N 3.13Å; H121-H123 PolarHBondContact O-ND1 3.23Å; H121-V132 PolarHBondContact ND1-N 2.97Å; H121-V132 VanDerWaalsContact ND1-N 3.14Å; H121-V132 PolarHBondContact ND1-O 2.73Å
122K94.9Very high95Very high92 Ų9267.1 Ų67.140%0.433%0.334SS..THydrogen-bonded Turntrans59.68.2-172.6-56.9-54.7-174.1174.70116.5R120 Y129 I130 E131R120-K122 PolarHBondContact O-N 2.7Å; K122-Y129 HydrophobicContact CD-CD2 3.73Å; K122-Y129 HydrophobicContact CD-CE2 4.19Å; K122-Y129 HydrophobicContact CD-CG 4.4Å; K122-I130 VanDerWaalsContact CA-O 3.31Å; K122-I130 WeakPolarHBondContact CA-O 3.48Å; K122-I130 PolarHBondContact N-O 2.92Å; K122-E131 HydrophobicContact CD-CG 4.46Å; K122-E131 IonicContact NZ-OE1 3.23Å; K122-E131 PolarHBondContact NZ-OE1 3.13Å
123H94.4Very high95.2Very high98 Ų9864.7 Ų64.745%0.45432%0.32SS..  trans-67.7155.9168.1-72.356.8000110.5F79 Q119 R120 H121 Y129 I130F79-H123 HydrophobicContact CE2-CB 3.68Å; F79-H123 HydrophobicContact CZ-CB 3.82Å; Q119-H123 PolarHBondContact O-CE1 2.82Å; R120-H123 VanDerWaalsContact O-CB 3.24Å; R120-H123 WeakPolarHBondContact O-CB 3.37Å; R120-H123 PolarHBondContact O-N 3.16Å; R120-H123 PolarHBondContact O-ND1 3.27Å; H121-H123 PolarHBondContact O-N 2.8Å; H121-H123 VanDerWaalsContact O-N 3.13Å; H121-H123 PolarHBondContact O-ND1 3.23Å; H123-Y129 CarbonylContact O-C 3.56Å; H123-Y129 WeakPolarHBondContact O-CA 3.43Å; H123-I130 PolarHBondContact O-N 2.98Å
124H91.9Very high95.2Very high128 Ų12870.8 Ų70.859%0.59335%0.346SS*.EExtended strand (participates in β ladder)trans-95.1137.4-174.4-71.771.1000112.3R128H124-R128 CarbonylContact C-O 3.5Å; H124-R128 WeakPolarHBondContact CA-O 3.23Å
125M91.3Very high95.2Very high21 Ų2170.9 Ų70.910%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-113.998.9163.9-174.3-171.9-72.800107.5L67 P68 S71 D75 F79 T127 R128 I130L67-M125 HydrophobicContact CG-CE 4.46Å; L67-M125 HydrophobicContact CG-SD 4.44Å; P68-M125 HydrophobicContact CG-CG 4.38Å; P68-M125 HydrophobicContact CG-SD 4.33Å; S71-M125 PolarHBondContact OG-SD 2.96Å; S71-M125 VanDerWaalsContact OG-SD 3.33Å; D75-M125 HydrophobicContact CB-SD 4.29Å; F79-M125 HydrophobicContact CB-CE 3.41Å; F79-M125 VanDerWaalsContact CB-CE 3.41Å; F79-M125 HydrophobicContact CD2-CB 4.07Å; F79-M125 HydrophobicContact CD2-CE 4.17Å; F79-M125 HydrophobicContact CG-CE 3.82Å; M125-T127 PolarHBondContact O-N 2.69Å; M125-R128 PolarHBondContact N-O 3.5Å; M125-R128 PolarHBondContact O-N 2.84Å; M125-I130 HydrophobicContact CB-CD1 3.83Å; M125-I130 HydrophobicContact CB-CG1 3.66Å
126G88.3Confident95Very high71 Ų7170.2 Ų70.273%0.73235%0.347SS*.THydrogen-bonded Turntrans62.4-124.4-169.700000111R128G126-R128 VanDerWaalsContact C-N 3.31Å; G126-R128 PolarHBondContact O-N 3.06Å
127T87.8Confident94.8Very high134 Ų13466.6 Ų66.682%0.82233%0.328SS*.THydrogen-bonded Turntrans-88.36.5-178.157.10000114.1M125M125-T127 PolarHBondContact O-N 2.69Å
128R93.1Very high94.5Very high93 Ų9372.6 Ų72.635%0.35136%0.356SS..EExtended strand (participates in β ladder)trans-120.8129-172.1-62.3-74.5-68.7-105.8-9.6109.6G66 P68 H124 M125 G126G66-R128 WeakPolarHBondContact O-CB 3.39Å; G66-R128 PolarHBondContact O-NE 3.41Å; G66-R128 PolarHBondContact O-NH2 3.49Å; P68-R128 HydrophobicContact CG-CB 4.28Å; P68-R128 HydrophobicContact CG-CG 4.04Å; H124-R128 CarbonylContact C-O 3.5Å; H124-R128 WeakPolarHBondContact CA-O 3.23Å; M125-R128 PolarHBondContact N-O 3.5Å; M125-R128 PolarHBondContact O-N 2.84Å; G126-R128 VanDerWaalsContact C-N 3.31Å; G126-R128 PolarHBondContact O-N 3.06Å
129Y94.6Very high94.2Very high123 Ų12373.2 Ų73.248%0.48236%0.36SS..EExtended strand (participates in β ladder)trans-73145.9164.164.5-97.5000109.5K122 H123 E131K122-Y129 HydrophobicContact CD-CD2 3.73Å; K122-Y129 HydrophobicContact CD-CE2 4.19Å; K122-Y129 HydrophobicContact CD-CG 4.4Å; H123-Y129 CarbonylContact O-C 3.56Å; H123-Y129 WeakPolarHBondContact O-CA 3.43Å; Y129-E131 HydrophobicContact CD2-CG 4.15Å; Y129-E131 HydrophobicContact CE2-CG 3.98Å
130I97.8Very high94Very high1 Ų166.5 Ų66.51%0.00533%0.329CS..  trans-108.6131-179.7-55.4-54.7000109A64 R65 L67 F79 K122 H123 M125 V132A64-I130 HydrophobicContact CB-CG2 4.02Å; R65-I130 WeakPolarHBondContact O-CA 3.4Å; L67-I130 HydrophobicContact CD1-CD1 4.4Å; L67-I130 HydrophobicContact CD1-CG2 4.48Å; L67-I130 HydrophobicContact CG-CD1 4.3Å; F79-I130 HydrophobicContact CD2-CG1 4.12Å; F79-I130 HydrophobicContact CE1-CB 4.19Å; F79-I130 HydrophobicContact CE1-CG2 4.02Å; F79-I130 HydrophobicContact CE2-CB 3.82Å; F79-I130 HydrophobicContact CE2-CG1 3.68Å; F79-I130 HydrophobicContact CZ-CB 3.57Å; F79-I130 HydrophobicContact CZ-CG1 3.95Å; F79-I130 HydrophobicContact CZ-CG2 3.91Å; K122-I130 VanDerWaalsContact CA-O 3.31Å; K122-I130 WeakPolarHBondContact CA-O 3.48Å; K122-I130 PolarHBondContact N-O 2.92Å; H123-I130 PolarHBondContact O-N 2.98Å; M125-I130 HydrophobicContact CB-CD1 3.83Å; M125-I130 HydrophobicContact CB-CG1 3.66Å; I130-V132 HydrophobicContact CG2-CG2 4.19Å
131E97.9Very high93.8Very high43 Ų4365.1 Ų65.120%0.20133%0.326CS..EExtended strand (participates in β ladder)trans-96.1122.9172.1-52.5-172.6143.600108.9A64 R65 K122 Y129 Y133A64-E131 CarbonylContact C-O 3.55Å; A64-E131 WeakPolarHBondContact CA-O 3.45Å; R65-E131 HydrophobicContact CB-CB 4.3Å; R65-E131 PolarHBondContact N-O 2.66Å; R65-E131 PolarHBondContact O-N 3.16Å; K122-E131 HydrophobicContact CD-CG 4.46Å; K122-E131 IonicContact NZ-OE1 3.23Å; K122-E131 PolarHBondContact NZ-OE1 3.13Å; Y129-E131 HydrophobicContact CD2-CG 4.15Å; Y129-E131 HydrophobicContact CE2-CG 3.98Å; E131-Y133 HydrophobicContact CB-CD2 4.35Å; E131-Y133 HydrophobicContact CB-CE2 3.5Å; E131-Y133 VanDerWaalsContact CB-CE2 3.5Å; E131-Y133 VanDerWaalsContact CD-OH 3.23Å; E131-Y133 PolarHBondContact OE2-OH 3.03Å
132V98.2Very high93.4Very high5 Ų568.4 Ų68.43%0.0334%0.339CS..EExtended strand (participates in β ladder)trans-109.3128.4177.7-166.10000108.5V62 R63 F79 F80 L118 R120 H121 I130V62-V132 HydrophobicContact CB-CG1 3.79Å; V62-V132 HydrophobicContact CG1-CG1 4.1Å; V62-V132 HydrophobicContact CG2-CG1 3.86Å; R63-V132 WeakPolarHBondContact O-CA 3.37Å; F79-V132 HydrophobicContact CE1-CG2 4.1Å; F79-V132 HydrophobicContact CZ-CG2 4.5Å; F80-V132 HydrophobicContact CE1-CG1 4.28Å; F80-V132 HydrophobicContact CE1-CG2 4.17Å; F80-V132 HydrophobicContact CZ-CG1 4.11Å; F80-V132 HydrophobicContact CZ-CG2 3.99Å; L118-V132 HydrophobicContact CD2-CG1 4.18Å; R120-V132 HydrophobicContact CB-CG2 4.47Å; H121-V132 PolarHBondContact ND1-N 2.97Å; H121-V132 VanDerWaalsContact ND1-N 3.14Å; H121-V132 PolarHBondContact ND1-O 2.73Å; I130-V132 HydrophobicContact CG2-CG2 4.19Å
133Y97.8Very high93Very high87 Ų8766 Ų6634%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-131.2157.2178.6-57.6-74.1000110.4V62 R63 E131V62-Y133 CarbonylContact C-O 3.56Å; V62-Y133 VanDerWaalsContact CA-O 3.24Å; V62-Y133 WeakPolarHBondContact CA-O 3.38Å; V62-Y133 WeakPolarHBondContact CB-O 3.47Å; R63-Y133 PolarHBondContact N-O 2.62Å; R63-Y133 PolarHBondContact O-N 2.86Å; E131-Y133 HydrophobicContact CB-CD2 4.35Å; E131-Y133 HydrophobicContact CB-CE2 3.5Å; E131-Y133 VanDerWaalsContact CB-CE2 3.5Å; E131-Y133 VanDerWaalsContact CD-OH 3.23Å; E131-Y133 PolarHBondContact OE2-OH 3.03Å
134K97.1Very high92.7Very high129 Ų12961.6 Ų61.656%0.56131%0.311SS*.EExtended strand (participates in β ladder)trans-63.4146.6169.5-66.5-170.7176.5-161.80110.3D115 L118D115-K134 IonicContact OD1-NZ 3.56Å; L118-K134 HydrophobicContact CD1-CD 4.2Å; L118-K134 VanDerWaalsContact CD1-CE 3.42Å; L118-K134 HydrophobicContact CD1-CG 3.68Å; L118-K134 HydrophobicContact CD2-CG 4.03Å; L118-K134 HydrophobicContact CG-CG 4.49Å
135A96.7Very high92.2Very high12 Ų1256 Ų5610%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-143.6167.1173.100000109.6D58 V61 R63 L105D58-A135 VanDerWaalsContact O-O 3.13Å; V61-A135 HydrophobicContact CB-CB 4.46Å; V61-A135 HydrophobicContact CG1-CB 3.98Å; V61-A135 PolarHBondContact O-N 3.25Å; V61-A135 VanDerWaalsContact O-N 3.12Å; V61-A135 VanDerWaalsContact O-O 3.14Å; R63-A135 HydrophobicContact CB-CB 4.04Å; L105-A135 HydrophobicContact CD2-CB 3.58Å
136T94.3Very high91.1Very high46 Ų4655.6 Ų55.628%0.28229%0.289SS..  trans-97.6160.7-179.2610000111.9D58 E138 D139 F140D58-T136 HydrophobicContact CB-CG2 4.47Å; D58-T136 WeakPolarHBondContact OD1-CB 3.28Å; T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 PolarHBondContact O-N 2.75Å; T136-D139 PolarHBondContact O-N 2.93Å; T136-D139 VanDerWaalsContact OG1-CG 3.28Å; T136-D139 PolarHBondContact OG1-N 3.15Å; T136-F140 PolarHBondContact O-N 3.09Å
137G91.1Very high89.9Confident1 Ų156.2 Ų56.21%0.0128%0.278CS..Hα-helixtrans-60.9-37.4170.100000111.5D58 D139 F140 L141D58-G137 PolarHBondContact OD1-N 2.87Å; G137-D139 VanDerWaalsContact C-N 3.33Å; G137-D139 PolarHBondContact O-N 3.49Å; G137-F140 WeakPolarHBondContact O-CB 3.44Å; G137-F140 PolarHBondContact O-N 3.34Å; G137-L141 WeakPolarHBondContact O-CG 3.13Å; G137-L141 PolarHBondContact O-N 3.44Å
138E91.2Very high89.1Confident126 Ų12651.3 Ų51.359%0.58925%0.25SC*.Hα-helixtrans-58.7-43.1173.4-66.8-169.817100112.8T136 F140 L141 K142T136-E138 VanDerWaalsContact C-N 3.26Å; T136-E138 PolarHBondContact O-N 2.75Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 2.77Å; E138-L141 PolarHBondContact O-N 3.43Å; E138-K142 VanDerWaalsContact O-CG 3.26Å; E138-K142 WeakPolarHBondContact O-CG 3.35Å; E138-K142 PolarHBondContact O-N 3.11Å
139D91.9Very high88.3Confident53 Ų5353.7 Ų53.728%0.28327%0.27SS..Hα-helixtrans-63.8-39.7177.5-75.1-13.6000111L105 T136 G137 K142L105-D139 VanDerWaalsContact CD1-C 3.46Å; L105-D139 HydrophobicContact CD1-CB 4.18Å; L105-D139 WeakPolarHBondContact CD1-O 3.49Å; T136-D139 PolarHBondContact O-N 2.93Å; T136-D139 VanDerWaalsContact OG1-CG 3.28Å; T136-D139 PolarHBondContact OG1-N 3.15Å; G137-D139 VanDerWaalsContact C-N 3.33Å; G137-D139 PolarHBondContact O-N 3.49Å; D139-K142 PolarHBondContact O-N 3.3Å; D139-K142 IonicContact OD1-NZ 3.13Å; D139-K142 PolarHBondContact OD1-NZ 2.69Å
140F92.8Very high87.5Confident0 Ų053.3 Ų53.30%027%0.272CS..Hα-helixtrans-61.8-48.2173.9-171.4-87.8000111.3C50 I56 V61 A91 L105 R107 T136 G137 E138 K142 I143 A144C50-F140 HydrophobicContact CB-CE1 4.06Å; I56-F140 HydrophobicContact CD1-CB 4.34Å; I56-F140 HydrophobicContact CD1-CD1 3.37Å; I56-F140 HydrophobicContact CD1-CE1 4.03Å; I56-F140 HydrophobicContact CD1-CG 4.17Å; V61-F140 HydrophobicContact CG1-CB 4.07Å; V61-F140 HydrophobicContact CG1-CD2 4.25Å; V61-F140 HydrophobicContact CG2-CB 4.27Å; A91-F140 HydrophobicContact CB-CD2 4.48Å; A91-F140 HydrophobicContact CB-CE2 3.91Å; A91-F140 HydrophobicContact CB-CZ 4.24Å; L105-F140 HydrophobicContact CB-CD2 3.78Å; L105-F140 HydrophobicContact CB-CE2 4.45Å; R107-F140 HydrophobicContact CB-CD2 4.14Å; R107-F140 HydrophobicContact CB-CE2 3.99Å; R107-F140 HydrophobicContact CB-CZ 4.26Å; T136-F140 PolarHBondContact O-N 3.09Å; G137-F140 WeakPolarHBondContact O-CB 3.44Å; G137-F140 PolarHBondContact O-N 3.34Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 2.77Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.03Å; F140-I143 PolarHBondContact O-N 3.28Å; F140-I143 VanDerWaalsContact O-N 3.09Å; F140-A144 HydrophobicContact CD1-CB 3.81Å; F140-A144 HydrophobicContact CE1-CB 3.39Å; F140-A144 HydrophobicContact CE2-CB 4.5Å; F140-A144 HydrophobicContact CZ-CB 3.76Å; F140-A144 WeakPolarHBondContact O-CB 3.39Å; F140-A144 PolarHBondContact O-N 3.48Å
141L90.5Very high86.6Confident35 Ų3553.3 Ų53.318%0.18327%0.272CS..Hα-helixtrans-64.5-33.1-179.6-71.4173000113.1S51 E54 I56 G137 E138 I143 G145S51-L141 WeakPolarHBondContact O-CD2 3.31Å; E54-L141 WeakPolarHBondContact O-CD1 3.41Å; I56-L141 HydrophobicContact CD1-CD1 4.46Å; I56-L141 HydrophobicContact CD1-CD2 3.59Å; I56-L141 HydrophobicContact CD1-CG 3.73Å; I56-L141 HydrophobicContact CG1-CD1 4.45Å; I56-L141 HydrophobicContact CG1-CD2 4.17Å; I56-L141 HydrophobicContact CG1-CG 4.23Å; G137-L141 WeakPolarHBondContact O-CG 3.13Å; G137-L141 PolarHBondContact O-N 3.44Å; E138-L141 PolarHBondContact O-N 3.43Å; L141-I143 PolarHBondContact O-N 2.93Å; L141-G145 WeakPolarHBondContact O-CA 3.18Å; L141-G145 PolarHBondContact O-N 3.09Å
142K87.2Confident85.7Confident138 Ų13853.8 Ų53.860%0.628%0.284SS*.Hα-helixtrans-59.8-29.4174-73.4165.7-158.7159.10112.5E138 D139 F140E138-K142 VanDerWaalsContact O-CG 3.26Å; E138-K142 WeakPolarHBondContact O-CG 3.35Å; E138-K142 PolarHBondContact O-N 3.11Å; D139-K142 PolarHBondContact O-N 3.3Å; D139-K142 IonicContact OD1-NZ 3.13Å; D139-K142 PolarHBondContact OD1-NZ 2.69Å; F140-K142 VanDerWaalsContact C-N 3.33Å; F140-K142 PolarHBondContact O-N 3.03Å
143I88.3Confident85Confident43 Ų4360.6 Ų60.622%0.22132%0.315CS..Hα-helixtrans-99.7-42.5-176.4-58.7-56.4000111.7A91 L105 F140 L141 Q246A91-I143 HydrophobicContact CB-CG2 3.94Å; L105-I143 HydrophobicContact CD1-CB 4.27Å; L105-I143 HydrophobicContact CD1-CG1 3.78Å; F140-I143 PolarHBondContact O-N 3.28Å; F140-I143 VanDerWaalsContact O-N 3.09Å; L141-I143 PolarHBondContact O-N 2.93Å; I143-Q246 VanDerWaalsContact CG2-CD 3.49Å; I143-Q246 HydrophobicContact CG2-CG 4.31Å; I143-Q246 WeakPolarHBondContact O-CG 3.44Å
144A86.9Confident84.4Confident5 Ų557.4 Ų57.44%0.04130%0.303CS..Hα-helixtrans-101.5-19.8-173.100000114.2C50 A91 F140 G146 A242C50-A144 HydrophobicContact CB-CB 4.08Å; A91-A144 HydrophobicContact CB-CB 3.97Å; F140-A144 HydrophobicContact CD1-CB 3.81Å; F140-A144 HydrophobicContact CE1-CB 3.39Å; F140-A144 HydrophobicContact CE2-CB 4.5Å; F140-A144 HydrophobicContact CZ-CB 3.76Å; F140-A144 WeakPolarHBondContact O-CB 3.39Å; F140-A144 PolarHBondContact O-N 3.48Å; A144-G146 PolarHBondContact O-N 3.11Å; A144-A242 HydrophobicContact CB-CB 3.97Å
145G81.3Confident83.7Confident10 Ų1052.5 Ų52.510%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-72.1106.9-176.200000111.6L141L141-G145 WeakPolarHBondContact O-CA 3.18Å; L141-G145 PolarHBondContact O-N 3.09Å
146G69.4Low82.9Confident12 Ų1255.7 Ų55.712%0.12430%0.304CS..EExtended strand (participates in β ladder)trans-94.1148.517600000113.4C50 K52 A144C50-G146 PolarHBondContact O-N 2.96Å; K52-G146 PolarHBondContact N-O 2.95Å; A144-G146 PolarHBondContact O-N 3.11Å
147T63.1Low81.9Confident84 Ų8457.5 Ų57.552%0.51531%0.308SS..  trans-129.1-5.4170.151.50000114K52 N149K52-T147 HydrophobicContact CB-CG2 3.7Å; K52-T147 HydrophobicContact CD-CG2 3.41Å; K52-T147 VanDerWaalsContact CD-CG2 3.41Å; K52-T147 HydrophobicContact CG-CG2 4.17Å; T147-N149 PolarHBondContact O-N 2.96Å
148S70.5Confident80.8Confident32 Ų3264.4 Ų64.422%0.22434%0.34CS..  trans-82.3120.3-170.8-56.80000111.4E150 V151 A152S148-E150 VanDerWaalsContact C-N 3.29Å; S148-E150 PolarHBondContact O-N 3.06Å; S148-V151 PolarHBondContact O-N 2.83Å; S148-V151 VanDerWaalsContact O-N 3.11Å; S148-A152 PolarHBondContact O-N 2.89Å
149N75.4Confident79.8Confident143 Ų14365.2 Ų65.277%0.76535%0.349SS*.Hα-helixtrans-57.7-38.9179.3-72.6-16.5000112.9T147 V151 A152 Q153T147-N149 PolarHBondContact O-N 2.96Å; N149-V151 VanDerWaalsContact C-N 3.34Å; N149-V151 PolarHBondContact O-N 3.06Å; N149-A152 WeakPolarHBondContact O-CB 3.24Å; N149-A152 PolarHBondContact O-N 2.89Å; N149-Q153 PolarHBondContact O-N 2.85Å
150E77.5Confident79.4Confident114 Ų11464.8 Ų64.853%0.53335%0.345SS..Hα-helixtrans-60.7-43.7175.9-177.6-178.6-16400111.6S148 A152 Q153 F154 L195S148-E150 VanDerWaalsContact C-N 3.29Å; S148-E150 PolarHBondContact O-N 3.06Å; E150-A152 VanDerWaalsContact C-N 3.35Å; E150-Q153 PolarHBondContact O-N 2.87Å; E150-F154 WeakPolarHBondContact O-CB 3.49Å; E150-F154 PolarHBondContact O-N 2.93Å; E150-L195 HydrophobicContact CG-CD1 4.28Å; E150-L195 WeakPolarHBondContact OE1-CD1 3.45Å
151V79.2Confident79.3Confident1 Ų165.6 Ų65.61%0.00635%0.35CS..Hα-helixtrans-68.6-38.5176.7-171.40000110.8S148 N149 Q153 F154 L155 V244 Q245 L248S148-V151 PolarHBondContact O-N 2.83Å; S148-V151 VanDerWaalsContact O-N 3.11Å; N149-V151 VanDerWaalsContact C-N 3.34Å; N149-V151 PolarHBondContact O-N 3.06Å; V151-Q153 VanDerWaalsContact C-N 3.3Å; V151-Q153 PolarHBondContact O-N 3.14Å; V151-F154 PolarHBondContact O-N 2.84Å; V151-L155 HydrophobicContact CG1-CD1 3.44Å; V151-L155 VanDerWaalsContact CG1-CD1 3.44Å; V151-L155 HydrophobicContact CG1-CG 3.91Å; V151-L155 VanDerWaalsContact O-CB 3.25Å; V151-L155 WeakPolarHBondContact O-CB 3.3Å; V151-L155 WeakPolarHBondContact O-CG 3.25Å; V151-L155 PolarHBondContact O-N 2.78Å; V151-V244 HydrophobicContact CG1-CB 4.46Å; V151-V244 HydrophobicContact CG1-CG1 3.73Å; V151-Q245 VanDerWaalsContact CG1-CD 3.47Å; V151-Q245 HydrophobicContact CG1-CG 4.08Å; V151-L248 HydrophobicContact CG2-CB 4.47Å; V151-L248 HydrophobicContact CG2-CD1 3.37Å
152A80Confident79.4Confident54 Ų5464.7 Ų64.745%0.44635%0.345SS..Hα-helixtrans-61.2-40.7174.900000111.2S148 N149 E150 L155 S156S148-A152 PolarHBondContact O-N 2.89Å; N149-A152 WeakPolarHBondContact O-CB 3.24Å; N149-A152 PolarHBondContact O-N 2.89Å; E150-A152 VanDerWaalsContact C-N 3.35Å; A152-L155 CarbonylContact O-C 3.55Å; A152-L155 PolarHBondContact O-N 2.97Å; A152-S156 WeakPolarHBondContact O-CA 3.12Å; A152-S156 VanDerWaalsContact O-CB 3.29Å; A152-S156 WeakPolarHBondContact O-CB 3.05Å; A152-S156 PolarHBondContact O-N 2.92Å
153Q82.7Confident79.8Confident147 Ų14758.1 Ų58.169%0.68732%0.316SS*.Hα-helixtrans-66.7-45.5175.1-171.717814.900111.7N149 E150 V151 L155 S156N149-Q153 PolarHBondContact O-N 2.85Å; E150-Q153 PolarHBondContact O-N 2.87Å; V151-Q153 VanDerWaalsContact C-N 3.3Å; V151-Q153 PolarHBondContact O-N 3.14Å; Q153-L155 VanDerWaalsContact C-N 3.3Å; Q153-L155 PolarHBondContact O-N 2.96Å; Q153-S156 WeakPolarHBondContact O-CB 3.14Å; Q153-S156 PolarHBondContact O-N 3.04Å; Q153-S156 PolarHBondContact O-OG 3.04Å
154F84.6Confident80.1Confident20 Ų2056.1 Ų56.19%0.08831%0.306CS..Hα-helixtrans-60.6-40.3176.8-178.7-106.3000112E150 V151 L195 F209 L211 V244E150-F154 WeakPolarHBondContact O-CB 3.49Å; E150-F154 PolarHBondContact O-N 2.93Å; V151-F154 PolarHBondContact O-N 2.84Å; F154-L195 HydrophobicContact CB-CD2 4.16Å; F154-L195 HydrophobicContact CD1-CB 4.45Å; F154-L195 HydrophobicContact CD1-CD2 3.81Å; F154-L195 HydrophobicContact CD2-CB 3.71Å; F154-L195 HydrophobicContact CD2-CD2 4.18Å; F154-L195 HydrophobicContact CD2-CG 4.49Å; F154-L195 HydrophobicContact CE1-CB 4.28Å; F154-L195 HydrophobicContact CE1-CD2 4.19Å; F154-L195 HydrophobicContact CE2-CB 3.49Å; F154-L195 VanDerWaalsContact CE2-CB 3.49Å; F154-L195 HydrophobicContact CG-CB 4.19Å; F154-L195 HydrophobicContact CG-CD2 3.79Å; F154-L195 HydrophobicContact CZ-CB 3.79Å; F154-F209 HydrophobicContact CE1-CB 3.99Å; F154-F209 HydrophobicContact CZ-CB 3.88Å; F154-L211 HydrophobicContact CD1-CD2 4.34Å; F154-L211 HydrophobicContact CD2-CD1 3.9Å; F154-L211 HydrophobicContact CD2-CG 4.31Å; F154-L211 HydrophobicContact CE1-CD1 4.36Å; F154-L211 HydrophobicContact CE1-CD2 3.66Å; F154-L211 HydrophobicContact CE1-CG 3.96Å; F154-L211 HydrophobicContact CE2-CD1 3.67Å; F154-L211 HydrophobicContact CE2-CD2 4.25Å; F154-L211 HydrophobicContact CE2-CG 3.6Å; F154-L211 HydrophobicContact CG-CD1 4.35Å; F154-L211 HydrophobicContact CZ-CD1 3.93Å; F154-L211 HydrophobicContact CZ-CD2 3.62Å; F154-L211 HydrophobicContact CZ-CG 3.42Å; F154-L211 VanDerWaalsContact CZ-CG 3.42Å; F154-L211 VanDerWaalsContact O-CD1 3.28Å; F154-L211 WeakPolarHBondContact O-CD1 2.91Å; F154-V244 HydrophobicContact CD1-CG1 4.42Å
155L83.4Confident80.5Confident26 Ų2655.9 Ų55.914%0.13630%0.304CS..THydrogen-bonded Turntrans-91.22.3-179.1-58.7179.9000113.8T49 V151 A152 Q153 K157 I162 A241T49-L155 HydrophobicContact CG2-CB 3.66Å; T49-L155 HydrophobicContact CG2-CD1 3.34Å; T49-L155 HydrophobicContact CG2-CG 4.13Å; V151-L155 HydrophobicContact CG1-CD1 3.44Å; V151-L155 VanDerWaalsContact CG1-CD1 3.44Å; V151-L155 HydrophobicContact CG1-CG 3.91Å; V151-L155 VanDerWaalsContact O-CB 3.25Å; V151-L155 WeakPolarHBondContact O-CB 3.3Å; V151-L155 WeakPolarHBondContact O-CG 3.25Å; V151-L155 PolarHBondContact O-N 2.78Å; A152-L155 CarbonylContact O-C 3.55Å; A152-L155 PolarHBondContact O-N 2.97Å; Q153-L155 VanDerWaalsContact C-N 3.3Å; Q153-L155 PolarHBondContact O-N 2.96Å; L155-K157 PolarHBondContact O-N 3.24Å; L155-I162 HydrophobicContact CD2-CD1 3.52Å; L155-I162 HydrophobicContact CD2-CG1 4.37Å; L155-A241 HydrophobicContact CD1-CB 3.75Å
156S80Confident81.1Confident79 Ų7957.1 Ų57.155%0.55231%0.306SS*.THydrogen-bonded Turntrans-68.2-24.4-178.5650000113A152 Q153 E158A152-S156 WeakPolarHBondContact O-CA 3.12Å; A152-S156 VanDerWaalsContact O-CB 3.29Å; A152-S156 WeakPolarHBondContact O-CB 3.05Å; A152-S156 PolarHBondContact O-N 2.92Å; Q153-S156 WeakPolarHBondContact O-CB 3.14Å; Q153-S156 PolarHBondContact O-N 3.04Å; Q153-S156 PolarHBondContact O-OG 3.04Å; S156-E158 PolarHBondContact O-N 2.71Å
157K73.9Confident82.2Confident85 Ų8557.5 Ų57.537%0.3731%0.309SS..SBendtrans-74.3120.2178.7-65179.5-176.11700109.1L155 Q160 T188L155-K157 PolarHBondContact O-N 3.24Å; K157-Q160 HydrophobicContact CB-CG 3.72Å; K157-Q160 WeakPolarHBondContact O-CG 3.45Å; K157-T188 HydrophobicContact CD-CG2 4.02Å
158E66.6Low83.8Confident146 Ų14653.8 Ų53.868%0.68229%0.286SS*.THydrogen-bonded Turntrans-71.1158.7177.5-58.8-166.1156.800112.1S156 Q160S156-E158 PolarHBondContact O-N 2.71Å; E158-Q160 VanDerWaalsContact C-N 3.27Å; E158-Q160 PolarHBondContact O-N 2.81Å; E158-Q160 PolarHBondContact O-NE2 2.77Å; E158-Q160 VanDerWaalsContact O-NE2 3.13Å
159N70.1Confident84.9Confident143 Ų14353.4 Ų53.477%0.76528%0.284SS*.THydrogen-bonded Turntrans56.332.6174.9-60.3-23.9000115.4
160Q84.5Confident85.7Confident44 Ų4453.8 Ų53.821%0.20628%0.278CS..PPolyproline II helixtrans-96.2145.4176.8-57.4-57.9-52.400112.1K157 E158 T188 L211 F212K157-Q160 HydrophobicContact CB-CG 3.72Å; K157-Q160 WeakPolarHBondContact O-CG 3.45Å; E158-Q160 VanDerWaalsContact C-N 3.27Å; E158-Q160 PolarHBondContact O-N 2.81Å; E158-Q160 PolarHBondContact O-NE2 2.77Å; E158-Q160 VanDerWaalsContact O-NE2 3.13Å; Q160-T188 VanDerWaalsContact OE1-CG2 3.25Å; Q160-T188 PolarHBondContact OE1-OG1 2.95Å; Q160-L211 HydrophobicContact CB-CD2 4.11Å; Q160-F212 WeakPolarHBondContact CA-O 3.31Å; Q160-F212 PolarHBondContact OE1-O 3.48Å
161V89.9Confident86.5Confident16 Ų1654 Ų5410%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-103.6128.7170.3-174.10000108.8F212 E215 A218V161-F212 PolarHBondContact N-O 3.47Å; V161-F212 PolarHBondContact O-N 3.26Å; V161-E215 WeakPolarHBondContact CG2-OE2 3.29Å; V161-A218 HydrophobicContact CB-CB 3.7Å; V161-A218 HydrophobicContact CG1-CB 3.36Å; V161-A218 HydrophobicContact CG2-CB 4.44Å
162I92.9Very high87.2Confident16 Ų1654.9 Ų54.98%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-98.6129.5-175.5-49.6165000108.9L155 F209 V210 L211 S239 V244L155-I162 HydrophobicContact CD2-CD1 3.52Å; L155-I162 HydrophobicContact CD2-CG1 4.37Å; I162-F209 HydrophobicContact CG2-CB 4.23Å; I162-F209 HydrophobicContact CG2-CD1 3.9Å; I162-F209 HydrophobicContact CG2-CG 4.49Å; I162-V210 WeakPolarHBondContact CA-O 3.28Å; I162-L211 HydrophobicContact CG1-CD2 3.83Å; I162-S239 PolarHBondContact O-N 3.14Å; I162-V244 HydrophobicContact CD1-CG2 4.16Å; I162-V244 HydrophobicContact CG2-CG2 3.9Å
163V94.8Very high87.9Confident0 Ų055 Ų550%029%0.29CS..EExtended strand (participates in β ladder)trans-118.7130.4170.3179.20000108.9F209 V210 F212 A218 L222 L236 F237V163-F209 CarbonylContact O-C 3.52Å; V163-F209 WeakPolarHBondContact O-CA 3.43Å; V163-V210 PolarHBondContact N-O 3.21Å; V163-V210 PolarHBondContact O-N 3.46Å; V163-F212 HydrophobicContact CB-CD2 4.29Å; V163-F212 HydrophobicContact CB-CE2 3.84Å; V163-F212 HydrophobicContact CG2-CD2 3.75Å; V163-F212 HydrophobicContact CG2-CE2 3.64Å; V163-A218 HydrophobicContact CG2-CB 4.18Å; V163-L222 HydrophobicContact CG1-CD2 4.05Å; V163-L222 HydrophobicContact CG2-CD2 4.43Å; V163-L236 HydrophobicContact CG1-CB 4.18Å; V163-L236 HydrophobicContact CG1-CD2 4.29Å; V163-F237 WeakPolarHBondContact CA-O 3.42Å
164R94.8Very high88.5Confident2 Ų249 Ų491%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-90.7129.8171.8-178.6178.1178.6-173.41.2109.8G98 R166 D207 A208 F209 L236 F237 S239 E243G98-R164 PolarHBondContact O-NH1 3.04Å; G98-R164 PolarHBondContact O-NH2 3.3Å; R164-R166 HydrophobicContact CG-CG 4.14Å; R164-D207 IonicContact CZ-OD2 3.74Å; R164-D207 IonicContact NE-OD2 3.67Å; R164-D207 IonicContact NH2-OD2 2.73Å; R164-D207 PolarHBondContact NH2-OD2 3.34Å; R164-A208 CarbonylContact C-O 3.58Å; R164-A208 WeakPolarHBondContact CA-O 3.43Å; R164-F209 HydrophobicContact CB-CD1 3.76Å; R164-F209 HydrophobicContact CB-CE1 3.63Å; R164-F209 HydrophobicContact CG-CD1 4.1Å; R164-F209 HydrophobicContact CG-CE1 3.73Å; R164-F209 HydrophobicContact CG-CZ 4.15Å; R164-L236 WeakPolarHBondContact O-CA 3.5Å; R164-F237 PolarHBondContact N-O 3.32Å; R164-F237 PolarHBondContact O-N 3.04Å; R164-S239 WeakPolarHBondContact CB-OG 3.39Å; R164-S239 PolarHBondContact N-OG 2.9Å; R164-E243 WeakPolarHBondContact CD-OE1 3.27Å; R164-E243 IonicContact CZ-OE1 3.59Å; R164-E243 IonicContact NE-OE1 3.58Å; R164-E243 IonicContact NH1-OE1 2.7Å; R164-E243 PolarHBondContact NH1-OE1 3.43Å
165M96.1Very high89Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-98136169-52.9-177.377.400109.1L168 V177 F180 F181 D207 A208 V210 I234 E235 L236M165-L168 HydrophobicContact CB-CD1 4.08Å; M165-L168 HydrophobicContact CB-CG 4.31Å; M165-L168 HydrophobicContact CE-CD2 3.89Å; M165-L168 HydrophobicContact SD-CD1 4.49Å; M165-L168 HydrophobicContact SD-CD2 4.46Å; M165-V177 HydrophobicContact CE-CG1 4.11Å; M165-V177 HydrophobicContact SD-CG1 3.59Å; M165-V177 VanDerWaalsContact SD-CG1 3.59Å; M165-V177 HydrophobicContact SD-CG2 4.43Å; M165-F180 HydrophobicContact CE-CD1 3.88Å; M165-F180 HydrophobicContact CE-CE1 4.05Å; M165-F181 HydrophobicContact CE-CE2 3.67Å; M165-F181 HydrophobicContact CE-CZ 3.74Å; M165-F181 HydrophobicContact CG-CE2 4.45Å; M165-F181 HydrophobicContact CG-CZ 4.18Å; M165-F181 HydrophobicContact SD-CE2 3.55Å; M165-F181 VanDerWaalsContact SD-CE2 3.55Å; M165-F181 HydrophobicContact SD-CZ 3.82Å; M165-D207 VanDerWaalsContact O-CA 3.31Å; M165-D207 WeakPolarHBondContact O-CA 3.35Å; M165-A208 HydrophobicContact CB-CB 4.45Å; M165-A208 PolarHBondContact N-O 3.41Å; M165-A208 PolarHBondContact O-N 3.02Å; M165-V210 HydrophobicContact CG-CG2 3.98Å; M165-V210 HydrophobicContact SD-CG2 3.54Å; M165-V210 VanDerWaalsContact SD-CG2 3.54Å; M165-I234 HydrophobicContact CB-CG2 4.18Å; M165-I234 HydrophobicContact CE-CG2 3.78Å; M165-E235 CarbonylContact C-O 3.36Å; M165-E235 WeakPolarHBondContact CA-O 3.48Å; M165-L236 HydrophobicContact CB-CD2 4.16Å; M165-L236 HydrophobicContact CE-CD2 4.17Å; M165-L236 HydrophobicContact CG-CD2 3.63Å
166R93.7Very high89.5Confident35 Ų3555.2 Ų55.213%0.13229%0.294CS..EExtended strand (participates in β ladder)trans-129.4148.3171.5-51.8-169.279.6171.15.3110.8Q97 G98 R164 D207 E235 F237Q97-R166 PolarHBondContact O-NH2 3.39Å; G98-R166 PolarHBondContact O-NH1 2.94Å; R164-R166 HydrophobicContact CG-CG 4.14Å; R166-D207 WeakPolarHBondContact CB-OD1 3.23Å; R166-D207 WeakPolarHBondContact CG-OD1 3.45Å; R166-D207 IonicContact CZ-OD2 3.59Å; R166-D207 IonicContact NE-OD1 3.35Å; R166-D207 PolarHBondContact NE-OD1 3.45Å; R166-D207 IonicContact NE-OD2 3.61Å; R166-D207 PolarHBondContact NE-OD2 3.25Å; R166-D207 IonicContact NH2-OD2 3.36Å; R166-D207 PolarHBondContact NH2-OD2 3.08Å; R166-E235 HydrophobicContact CB-CB 4.33Å; R166-E235 PolarHBondContact N-O 2.84Å; R166-E235 PolarHBondContact O-N 3.32Å; R166-F237 HydrophobicContact CG-CD2 4.29Å; R166-F237 HydrophobicContact CG-CE2 4.11Å
167G93.3Very high90.3Very high20 Ų2051.5 Ų51.521%0.20627%0.268CS..SBendtrans85.916.4177.500000114.2G206 R232 I234G167-G206 PolarHBondContact N-O 2.86Å; G167-R232 WeakPolarHBondContact O-CB 3.25Å; G167-I234 WeakPolarHBondContact O-CD1 3.15Å
168L95.4Very high91.3Very high6 Ų650 Ų503%0.03127%0.266CS..  trans-56137.8174.6-72.6166.8000110.5M165 A172 V177 F196 G206 A208 L229 I234M165-L168 HydrophobicContact CB-CD1 4.08Å; M165-L168 HydrophobicContact CB-CG 4.31Å; M165-L168 HydrophobicContact CE-CD2 3.89Å; M165-L168 HydrophobicContact SD-CD1 4.49Å; M165-L168 HydrophobicContact SD-CD2 4.46Å; L168-A172 HydrophobicContact CB-CB 4.4Å; L168-A172 HydrophobicContact CD2-CB 4.44Å; L168-V177 HydrophobicContact CD2-CG2 4.13Å; L168-F196 HydrophobicContact CD1-CD1 4.42Å; L168-F196 HydrophobicContact CD1-CE1 4.09Å; L168-G206 WeakPolarHBondContact CB-O 3.49Å; L168-G206 PolarHBondContact N-O 2.99Å; L168-A208 HydrophobicContact CD1-CB 3.43Å; L168-A208 VanDerWaalsContact CD1-CB 3.43Å; L168-L229 HydrophobicContact CD2-CD1 3.92Å; L168-I234 HydrophobicContact CD2-CD1 3.96Å; L168-I234 HydrophobicContact CG-CD1 4.4Å
169P94.4Very high92.6Very high25 Ų2546.6 Ų46.616%0.16226%0.263CS..  trans-51.5142.2165.7-21.730000110.9T171 A172 L229 R232P169-T171 PolarHBondContact O-N 2.79Å; P169-T171 VanDerWaalsContact O-N 3.16Å; P169-A172 HydrophobicContact CB-CB 4.25Å; P169-A172 HydrophobicContact CG-CB 4.46Å; P169-A172 WeakPolarHBondContact O-CB 3.32Å; P169-A172 PolarHBondContact O-N 3.33Å; P169-L229 HydrophobicContact CG-CD2 3.82Å; P169-L229 WeakPolarHBondContact CG-O 3.39Å; P169-R232 HydrophobicContact CB-CG 4.4Å; P169-R232 HydrophobicContact CG-CB 4.06Å; P169-R232 HydrophobicContact CG-CG 3.82Å
170F92.8Very high93.8Very high150 Ų15040.7 Ų40.766%0.65823%0.23SC*.THydrogen-bonded Turntrans-66.6-15.5177.6-60-35.3000113.5P204F170-P204 HydrophobicContact CB-CG 3.84Å; F170-P204 HydrophobicContact CD1-CG 4.31Å; F170-P204 HydrophobicContact CG-CG 4.38Å; F170-P204 VanDerWaalsContact O-CG 3.28Å; F170-P204 WeakPolarHBondContact O-CG 3.49Å
171T93Very high94.3Very high120 Ų12038.6 Ų38.674%0.73622%0.221SC*.THydrogen-bonded Turntrans-95.34.217457.30000112.7P169 T173P169-T171 PolarHBondContact O-N 2.79Å; P169-T171 VanDerWaalsContact O-N 3.16Å; T171-T173 PolarHBondContact O-N 3.37Å
172A94.1Very high94.2Very high18 Ų1839.2 Ų39.215%0.14923%0.23CC..  trans-65.3133-173.600000111.4L168 P169 E176 L229L168-A172 HydrophobicContact CB-CB 4.4Å; L168-A172 HydrophobicContact CD2-CB 4.44Å; P169-A172 HydrophobicContact CB-CB 4.25Å; P169-A172 HydrophobicContact CG-CB 4.46Å; P169-A172 WeakPolarHBondContact O-CB 3.32Å; P169-A172 PolarHBondContact O-N 3.33Å; A172-E176 VanDerWaalsContact CA-OE2 3.26Å; A172-E176 WeakPolarHBondContact CA-OE2 3.33Å; A172-L229 HydrophobicContact CB-CD2 4.29Å
173T94.9Very high93.8Very high57 Ų5747.5 Ų47.535%0.3527%0.268SS..  trans-102.9163.7178.482.50000112.2T171 E175 E176 V177T171-T173 PolarHBondContact O-N 3.37Å; T173-E175 WeakPolarHBondContact CB-OE2 3.45Å; T173-E175 PolarHBondContact O-N 3.18Å; T173-E175 PolarHBondContact OG1-N 3.29Å; T173-E175 PolarHBondContact OG1-OE2 3.05Å; T173-E176 PolarHBondContact N-OE2 3.2Å; T173-E176 PolarHBondContact O-N 3.44Å; T173-E176 PolarHBondContact OG1-N 2.8Å; T173-V177 PolarHBondContact O-N 2.82Å; T173-V177 VanDerWaalsContact O-N 3.13Å
174A94.9Very high93.1Very high20 Ų2055 Ų5517%0.16530%0.303CS..Hα-helixtrans-59.5-36.3175.500000111.5V177 V178 K191 I194 F196A174-V177 PolarHBondContact O-N 3.33Å; A174-V178 VanDerWaalsContact O-CG2 3.29Å; A174-V178 WeakPolarHBondContact O-CG2 3.24Å; A174-V178 PolarHBondContact O-N 3.21Å; A174-K191 HydrophobicContact CB-CB 4Å; A174-K191 HydrophobicContact CB-CD 4.22Å; A174-K191 HydrophobicContact CB-CG 3.93Å; A174-I194 HydrophobicContact CB-CD1 4.17Å; A174-I194 WeakPolarHBondContact O-CD1 3.49Å; A174-F196 HydrophobicContact CB-CE2 4.11Å
175E95.1Very high92.8Very high93 Ų9355.1 Ų55.144%0.43530%0.304SS..Hα-helixtrans-62.8-43.2176.6-6070.6-155.800111.7T173 V177 V178 A179 K191T173-E175 WeakPolarHBondContact CB-OE2 3.45Å; T173-E175 PolarHBondContact O-N 3.18Å; T173-E175 PolarHBondContact OG1-N 3.29Å; T173-E175 PolarHBondContact OG1-OE2 3.05Å; E175-V177 VanDerWaalsContact C-N 3.32Å; E175-V177 PolarHBondContact O-N 2.74Å; E175-V178 PolarHBondContact O-N 3.02Å; E175-A179 WeakPolarHBondContact O-CB 3.49Å; E175-A179 PolarHBondContact O-N 3.44Å; E175-K191 WeakPolarHBondContact OE1-CD 3.31Å; E175-K191 WeakPolarHBondContact OE1-CE 3.48Å; E175-K191 IonicContact OE1-NZ 3.37Å; E175-K191 PolarHBondContact OE1-NZ 3.13Å
176E95.1Very high92.5Very high85 Ų8557.7 Ų57.740%0.39732%0.321SS..Hα-helixtrans-65-37.9177.4-68.4-178.6153.800111.7A172 T173 A179 F180 L229A172-E176 VanDerWaalsContact CA-OE2 3.26Å; A172-E176 WeakPolarHBondContact CA-OE2 3.33Å; T173-E176 PolarHBondContact N-OE2 3.2Å; T173-E176 PolarHBondContact O-N 3.44Å; T173-E176 PolarHBondContact OG1-N 2.8Å; E176-A179 PolarHBondContact O-N 3.3Å; E176-F180 VanDerWaalsContact O-CB 3.32Å; E176-F180 WeakPolarHBondContact O-CB 3.33Å; E176-F180 PolarHBondContact O-N 3.31Å; E176-L229 HydrophobicContact CB-CD2 4.41Å
177V95.8Very high92.5Very high0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-67.2-43175.1173.30000111.3M165 L168 T173 A174 E175 A179 F180 F181 I187 I194 F196 V210 L229M165-V177 HydrophobicContact CE-CG1 4.11Å; M165-V177 HydrophobicContact SD-CG1 3.59Å; M165-V177 VanDerWaalsContact SD-CG1 3.59Å; M165-V177 HydrophobicContact SD-CG2 4.43Å; L168-V177 HydrophobicContact CD2-CG2 4.13Å; T173-V177 PolarHBondContact O-N 2.82Å; T173-V177 VanDerWaalsContact O-N 3.13Å; A174-V177 PolarHBondContact O-N 3.33Å; E175-V177 VanDerWaalsContact C-N 3.32Å; E175-V177 PolarHBondContact O-N 2.74Å; V177-A179 VanDerWaalsContact C-N 3.32Å; V177-A179 PolarHBondContact O-N 3.07Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 PolarHBondContact O-N 2.99Å; V177-F181 HydrophobicContact CG1-CD2 4.17Å; V177-F181 HydrophobicContact CG1-CE2 3.94Å; V177-F181 VanDerWaalsContact O-CD2 3.31Å; V177-F181 WeakPolarHBondContact O-CD2 3.38Å; V177-F181 PolarHBondContact O-N 3.35Å; V177-I187 HydrophobicContact CG1-CD1 4.2Å; V177-I194 HydrophobicContact CB-CD1 3.83Å; V177-I194 HydrophobicContact CG1-CD1 3.64Å; V177-I194 HydrophobicContact CG1-CG1 4.16Å; V177-I194 HydrophobicContact CG1-CG2 4.38Å; V177-F196 HydrophobicContact CG2-CE1 4.31Å; V177-F196 HydrophobicContact CG2-CZ 3.97Å; V177-V210 HydrophobicContact CG1-CG2 4.22Å; V177-L229 HydrophobicContact CG2-CD1 4.37Å
178V95.8Very high92.3Very high55 Ų5556.9 Ų56.933%0.33332%0.315SS..Hα-helixtrans-59-45.1172.9172.50000110.6A174 E175 F181 G182 I187 K191 I194A174-V178 VanDerWaalsContact O-CG2 3.29Å; A174-V178 WeakPolarHBondContact O-CG2 3.24Å; A174-V178 PolarHBondContact O-N 3.21Å; E175-V178 PolarHBondContact O-N 3.02Å; V178-F181 PolarHBondContact O-N 2.63Å; V178-G182 PolarHBondContact O-N 2.83Å; V178-I187 HydrophobicContact CB-CD1 4.41Å; V178-I187 HydrophobicContact CG2-CD1 3.94Å; V178-K191 HydrophobicContact CG2-CG 4.44Å; V178-I194 HydrophobicContact CG2-CD1 3.88Å
179A94.2Very high91.9Very high73 Ų7359 Ų5960%0.60334%0.338SS*.Hα-helixtrans-65.6-38.3178.700000112.5E175 E176 V177 F181 G182E175-A179 WeakPolarHBondContact O-CB 3.49Å; E175-A179 PolarHBondContact O-N 3.44Å; E176-A179 PolarHBondContact O-N 3.3Å; V177-A179 VanDerWaalsContact C-N 3.32Å; V177-A179 PolarHBondContact O-N 3.07Å; A179-F181 PolarHBondContact O-N 3.27Å; A179-G182 PolarHBondContact O-N 2.79Å
180F94.7Very high91.6Very high19 Ų1959.1 Ų59.18%0.08334%0.344CS..Hα-helixtrans-58.2-45.7177.6172.7-95000112M165 E176 V177 K224 E227 L229 I234 L236M165-F180 HydrophobicContact CE-CD1 3.88Å; M165-F180 HydrophobicContact CE-CE1 4.05Å; E176-F180 VanDerWaalsContact O-CB 3.32Å; E176-F180 WeakPolarHBondContact O-CB 3.33Å; E176-F180 PolarHBondContact O-N 3.31Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 PolarHBondContact O-N 2.99Å; F180-K224 HydrophobicContact CE1-CB 4.28Å; F180-K224 HydrophobicContact CZ-CB 4.12Å; F180-K224 WeakPolarHBondContact O-CE 3.39Å; F180-K224 PolarHBondContact O-NZ 3.08Å; F180-E227 HydrophobicContact CE2-CB 3.79Å; F180-E227 HydrophobicContact CZ-CB 4.01Å; F180-L229 HydrophobicContact CB-CD1 3.84Å; F180-L229 HydrophobicContact CD2-CB 4.08Å; F180-L229 HydrophobicContact CD2-CD1 4.16Å; F180-L229 HydrophobicContact CD2-CG 4.39Å; F180-L229 HydrophobicContact CE2-CB 4.49Å; F180-L229 HydrophobicContact CG-CD1 4.04Å; F180-I234 HydrophobicContact CE2-CG1 4.36Å; F180-I234 HydrophobicContact CZ-CB 4.18Å; F180-I234 HydrophobicContact CZ-CG1 4.46Å; F180-L236 HydrophobicContact CE1-CD1 4.1Å; F180-L236 HydrophobicContact CZ-CD1 4.45Å
181F94.1Very high91.5Very high1 Ų157 Ų570%0.00433%0.334CS..Hα-helixtrans-74.7-34175.2-70.1-64.2000112.5M165 V177 V178 A179 C185 I187 V210 F212 A221 K224 L236M165-F181 HydrophobicContact CE-CE2 3.67Å; M165-F181 HydrophobicContact CE-CZ 3.74Å; M165-F181 HydrophobicContact CG-CE2 4.45Å; M165-F181 HydrophobicContact CG-CZ 4.18Å; M165-F181 HydrophobicContact SD-CE2 3.55Å; M165-F181 VanDerWaalsContact SD-CE2 3.55Å; M165-F181 HydrophobicContact SD-CZ 3.82Å; V177-F181 HydrophobicContact CG1-CD2 4.17Å; V177-F181 HydrophobicContact CG1-CE2 3.94Å; V177-F181 VanDerWaalsContact O-CD2 3.31Å; V177-F181 WeakPolarHBondContact O-CD2 3.38Å; V177-F181 PolarHBondContact O-N 3.35Å; V178-F181 PolarHBondContact O-N 2.63Å; A179-F181 PolarHBondContact O-N 3.27Å; F181-C185 HydrophobicContact CB-CB 4.24Å; F181-I187 HydrophobicContact CD2-CD1 3.81Å; F181-I187 HydrophobicContact CD2-CG1 4.18Å; F181-V210 HydrophobicContact CE2-CB 4.44Å; F181-V210 HydrophobicContact CE2-CG1 4.17Å; F181-V210 HydrophobicContact CE2-CG2 4.05Å; F181-F212 AromaticContact CD1-CZ 3.95Å; F181-F212 HydrophobicContact CD1-CZ 3.95Å; F181-F212 HydrophobicContact CD2-CZ 4.24Å; F181-F212 HydrophobicContact CE1-CZ 4.02Å; F181-F212 HydrophobicContact CE2-CZ 4.27Å; F181-F212 HydrophobicContact CG-CE1 4.45Å; F181-F212 HydrophobicContact CG-CZ 4.06Å; F181-F212 HydrophobicContact CZ-CZ 4.16Å; F181-A221 HydrophobicContact CD1-CB 3.63Å; F181-A221 HydrophobicContact CE1-CB 3.54Å; F181-K224 HydrophobicContact CD1-CD 4.44Å; F181-L236 HydrophobicContact CE1-CD1 3.94Å; F181-L236 HydrophobicContact CE1-CD2 4.26Å; F181-L236 HydrophobicContact CZ-CD1 4.43Å; F181-L236 HydrophobicContact CZ-CD2 3.92Å
182G88.7Confident91.3Very high28 Ų2858.5 Ų58.529%0.28933%0.333SS..  trans66.4-170.917500000113.3V178 A179 H184 C185V178-G182 PolarHBondContact O-N 2.83Å; A179-G182 PolarHBondContact O-N 2.79Å; G182-H184 PolarHBondContact O-N 2.95Å; G182-C185 CarbonylContact O-C 3.58Å; G182-C185 PolarHBondContact O-N 2.77Å
183Q84.1Confident91.1Very high191 Ų19157.7 Ų57.789%0.89333%0.326SS*.THydrogen-bonded Turntrans-68.7-20.5-174.3-63.8-171.99.400114.2C185Q183-C185 VanDerWaalsContact C-N 3.28Å; Q183-C185 PolarHBondContact O-N 2.83Å
184H81.1Confident91.1Very high157 Ų15755.8 Ų55.873%0.72731%0.314SS*.THydrogen-bonded Turntrans-75.4-16.5-179.1-62.193.8000113.4G182G182-H184 PolarHBondContact O-N 2.95Å
185C88.3Confident91Very high4 Ų455.5 Ų55.53%0.02731%0.309CS..SBendtrans-139.672.5178.8-36.80000108.8F181 G182 Q183 I187 F212 N220 A221F181-C185 HydrophobicContact CB-CB 4.24Å; G182-C185 CarbonylContact O-C 3.58Å; G182-C185 PolarHBondContact O-N 2.77Å; Q183-C185 VanDerWaalsContact C-N 3.28Å; Q183-C185 PolarHBondContact O-N 2.83Å; C185-I187 PolarHBondContact O-N 3.49Å; C185-F212 HydrophobicContact CB-CE1 3.93Å; C185-N220 HydrophobicContact CB-CB 4.49Å; C185-N220 VanDerWaalsContact SG-C 3.58Å; C185-N220 WeakPolarHBondContact SG-CB 3Å; C185-A221 HydrophobicContact CB-CB 4.33Å
186P89.3Confident90.9Very high55 Ų5554.1 Ų54.136%0.35730%0.302SS..  trans-64.3128.2-17726.9-34.1000111Y217P186-Y217 HydrophobicContact CG-CD1 4.44Å; P186-Y217 HydrophobicContact CG-CD2 3.72Å; P186-Y217 HydrophobicContact CG-CE1 4.2Å; P186-Y217 HydrophobicContact CG-CE2 3.44Å; P186-Y217 VanDerWaalsContact CG-CE2 3.44Å; P186-Y217 HydrophobicContact CG-CG 4.23Å
187I92.8Very high90.7Very high16 Ų1650.1 Ų50.18%0.08228%0.283CS..BIsolated β-bridgetrans-74135.6175.3-56.3177.2000109.2V177 V178 F181 C185 G189 G190 I194 V210 L211 F212V177-I187 HydrophobicContact CG1-CD1 4.2Å; V178-I187 HydrophobicContact CB-CD1 4.41Å; V178-I187 HydrophobicContact CG2-CD1 3.94Å; F181-I187 HydrophobicContact CD2-CD1 3.81Å; F181-I187 HydrophobicContact CD2-CG1 4.18Å; C185-I187 PolarHBondContact O-N 3.49Å; I187-G189 PolarHBondContact O-N 3.13Å; I187-G189 VanDerWaalsContact O-N 3.11Å; I187-G190 WeakPolarHBondContact CG2-O 3.42Å; I187-G190 PolarHBondContact O-N 3.39Å; I187-I194 HydrophobicContact CD1-CD1 3.83Å; I187-I194 HydrophobicContact CD1-CG1 3.95Å; I187-I194 HydrophobicContact CG2-CG1 4.16Å; I187-V210 HydrophobicContact CB-CG1 4.23Å; I187-V210 HydrophobicContact CD1-CG1 3.75Å; I187-V210 HydrophobicContact CG1-CG1 3.71Å; I187-V210 HydrophobicContact CG2-CG1 3.61Å; I187-L211 WeakPolarHBondContact CG2-O 3.33Å; I187-F212 HydrophobicContact CG1-CE1 4.33Å
188T90.4Very high90.4Very high21 Ų2153 Ų5313%0.12930%0.301CS..THydrogen-bonded Turntrans-64.2112.2-179.2-60.30000111.6K157 Q160 G190 G193 L211 A213K157-T188 HydrophobicContact CD-CG2 4.02Å; Q160-T188 VanDerWaalsContact OE1-CG2 3.25Å; Q160-T188 PolarHBondContact OE1-OG1 2.95Å; T188-G190 VanDerWaalsContact C-N 3.28Å; T188-G193 WeakPolarHBondContact O-CA 3.26Å; T188-G193 PolarHBondContact O-N 3.33Å; T188-L211 PolarHBondContact N-O 3.19Å; T188-L211 PolarHBondContact OG1-O 3.2Å; T188-A213 WeakPolarHBondContact OG1-CA 3.24Å; T188-A213 PolarHBondContact OG1-N 3.48Å
189G85.5Confident90Very high51 Ų5155 Ų5553%0.52630%0.303SS..THydrogen-bonded Turntrans75.416.2-176.900000113.7I187 K191 E192I187-G189 PolarHBondContact O-N 3.13Å; I187-G189 VanDerWaalsContact O-N 3.11Å; G189-K191 PolarHBondContact O-N 2.8Å; G189-E192 PolarHBondContact O-N 2.86Å
190G89.3Confident89.5Confident27 Ų2755.8 Ų55.828%0.27830%0.302SS..G310 helixtrans61.1-117.917800000111.7I187 T188 E192 G193I187-G190 WeakPolarHBondContact CG2-O 3.42Å; I187-G190 PolarHBondContact O-N 3.39Å; T188-G190 VanDerWaalsContact C-N 3.28Å; G190-E192 VanDerWaalsContact C-N 3.3Å; G190-E192 PolarHBondContact O-N 3.36Å; G190-G193 PolarHBondContact O-N 3.21Å
191K90.6Very high89Confident106 Ų10659.5 Ų59.546%0.46132%0.323SS..G310 helixtrans-64.9-33.9-178.8-56.2-179.4-165.1179.70112.6A174 E175 V178 G189 G193 I194A174-K191 HydrophobicContact CB-CB 4Å; A174-K191 HydrophobicContact CB-CD 4.22Å; A174-K191 HydrophobicContact CB-CG 3.93Å; E175-K191 WeakPolarHBondContact OE1-CD 3.31Å; E175-K191 WeakPolarHBondContact OE1-CE 3.48Å; E175-K191 IonicContact OE1-NZ 3.37Å; E175-K191 PolarHBondContact OE1-NZ 3.13Å; V178-K191 HydrophobicContact CG2-CG 4.44Å; G189-K191 PolarHBondContact O-N 2.8Å; K191-G193 PolarHBondContact O-N 2.9Å; K191-I194 WeakPolarHBondContact O-CB 3.32Å; K191-I194 PolarHBondContact O-N 2.81Å; K191-I194 VanDerWaalsContact O-N 3.09Å
192E88Confident88.6Confident152 Ų15261.9 Ų61.971%0.7135%0.348SS*.G310 helixtrans-69.8-12.7178.4-56.9-57.2123.700113G189 G190 I194G189-E192 PolarHBondContact O-N 2.86Å; G190-E192 VanDerWaalsContact C-N 3.3Å; G190-E192 PolarHBondContact O-N 3.36Å; E192-I194 VanDerWaalsContact C-N 3.3Å
193G90.4Very high88.7Confident0 Ų067.7 Ų67.70%036%0.361CS..G310 helixtrans-88.33.8173.400000113.8T188 G190 K191 V210 L211T188-G193 WeakPolarHBondContact O-CA 3.26Å; T188-G193 PolarHBondContact O-N 3.33Å; G190-G193 PolarHBondContact O-N 3.21Å; K191-G193 PolarHBondContact O-N 2.9Å; G193-V210 WeakPolarHBondContact O-CA 3.4Å; G193-L211 PolarHBondContact O-N 2.74Å
194I94.2Very high89Confident18 Ų1860.9 Ų60.99%0.09233%0.333CS..EExtended strand (participates in β ladder)trans-114123.4-177.8-54.5167.4000108.8A174 V177 V178 I187 K191 E192 F196 F209 V210A174-I194 HydrophobicContact CB-CD1 4.17Å; A174-I194 WeakPolarHBondContact O-CD1 3.49Å; V177-I194 HydrophobicContact CB-CD1 3.83Å; V177-I194 HydrophobicContact CG1-CD1 3.64Å; V177-I194 HydrophobicContact CG1-CG1 4.16Å; V177-I194 HydrophobicContact CG1-CG2 4.38Å; V178-I194 HydrophobicContact CG2-CD1 3.88Å; I187-I194 HydrophobicContact CD1-CD1 3.83Å; I187-I194 HydrophobicContact CD1-CG1 3.95Å; I187-I194 HydrophobicContact CG2-CG1 4.16Å; K191-I194 WeakPolarHBondContact O-CB 3.32Å; K191-I194 PolarHBondContact O-N 2.81Å; K191-I194 VanDerWaalsContact O-N 3.09Å; E192-I194 VanDerWaalsContact C-N 3.3Å; I194-F196 HydrophobicContact CG2-CD2 3.98Å; I194-F196 HydrophobicContact CG2-CE2 3.67Å; I194-F196 HydrophobicContact CG2-CZ 4.04Å; I194-F209 CarbonylContact C-O 3.53Å; I194-F209 WeakPolarHBondContact CA-O 3.49Å; I194-V210 HydrophobicContact CG1-CG2 4.43Å; I194-V210 HydrophobicContact CG2-CG2 4.45Å
195L93.2Very high89.5Confident13 Ų1354.5 Ų54.57%0.06831%0.305CS..EExtended strand (participates in β ladder)trans-112.6103.3174.3-178.761.3000109.3E150 F154 A208 F209 V244 L248E150-L195 HydrophobicContact CG-CD1 4.28Å; E150-L195 WeakPolarHBondContact OE1-CD1 3.45Å; F154-L195 HydrophobicContact CB-CD2 4.16Å; F154-L195 HydrophobicContact CD1-CB 4.45Å; F154-L195 HydrophobicContact CD1-CD2 3.81Å; F154-L195 HydrophobicContact CD2-CB 3.71Å; F154-L195 HydrophobicContact CD2-CD2 4.18Å; F154-L195 HydrophobicContact CD2-CG 4.49Å; F154-L195 HydrophobicContact CE1-CB 4.28Å; F154-L195 HydrophobicContact CE1-CD2 4.19Å; F154-L195 HydrophobicContact CE2-CB 3.49Å; F154-L195 VanDerWaalsContact CE2-CB 3.49Å; F154-L195 HydrophobicContact CG-CB 4.19Å; F154-L195 HydrophobicContact CG-CD2 3.79Å; F154-L195 HydrophobicContact CZ-CB 3.79Å; L195-A208 CarbonylContact O-C 3.58Å; L195-A208 VanDerWaalsContact O-CA 3.25Å; L195-A208 WeakPolarHBondContact O-CA 3.24Å; L195-F209 HydrophobicContact CB-CB 4.37Å; L195-F209 PolarHBondContact N-O 3.28Å; L195-F209 PolarHBondContact O-N 3.12Å; L195-V244 HydrophobicContact CD2-CG1 4.07Å; L195-L248 HydrophobicContact CD2-CD1 3.61Å; L195-L248 HydrophobicContact CG-CD1 4.47Å
196F93.8Very high89.7Confident64 Ų6454.7 Ų54.728%0.28131%0.307SS..EExtended strand (participates in β ladder)trans-74.2134.7173.2-74.2-81.7000110.4L168 A174 V177 I194 A208L168-F196 HydrophobicContact CD1-CD1 4.42Å; L168-F196 HydrophobicContact CD1-CE1 4.09Å; A174-F196 HydrophobicContact CB-CE2 4.11Å; V177-F196 HydrophobicContact CG2-CE1 4.31Å; V177-F196 HydrophobicContact CG2-CZ 3.97Å; I194-F196 HydrophobicContact CG2-CD2 3.98Å; I194-F196 HydrophobicContact CG2-CE2 3.67Å; I194-F196 HydrophobicContact CG2-CZ 4.04Å; F196-A208 HydrophobicContact CD1-CB 4Å; F196-A208 HydrophobicContact CE1-CB 4.37Å
197V91.4Very high89.9Confident1 Ų152.7 Ų52.71%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-88.6114.1174.2-176.10000108T205 D207 F209 V247 L248 F251V197-T205 WeakPolarHBondContact CB-OG1 3.38Å; V197-T205 HydrophobicContact CG1-CG2 4.01Å; V197-T205 WeakPolarHBondContact O-CB 3.26Å; V197-T205 VanDerWaalsContact O-CG2 3.31Å; V197-T205 WeakPolarHBondContact O-CG2 3.25Å; V197-T205 PolarHBondContact O-N 3.42Å; V197-T205 PolarHBondContact O-OG1 2.97Å; V197-D207 HydrophobicContact CB-CB 4.18Å; V197-D207 WeakPolarHBondContact CB-O 3.32Å; V197-D207 HydrophobicContact CG2-CB 4.18Å; V197-D207 PolarHBondContact N-O 3.4Å; V197-F209 HydrophobicContact CG2-CD2 3.95Å; V197-F209 HydrophobicContact CG2-CE2 3.8Å; V197-V247 HydrophobicContact CB-CG1 4.44Å; V197-V247 HydrophobicContact CG1-CG1 3.84Å; V197-V247 HydrophobicContact CG2-CG1 3.85Å; V197-L248 HydrophobicContact CG1-CD2 4.26Å; V197-L248 HydrophobicContact CG2-CD2 4.28Å; V197-F251 HydrophobicContact CG1-CB 4.15Å; V197-F251 HydrophobicContact CG1-CD2 3.44Å; V197-F251 VanDerWaalsContact CG1-CD2 3.44Å; V197-F251 HydrophobicContact CG1-CE2 4.11Å; V197-F251 HydrophobicContact CG1-CG 4.03Å
198T89.7Confident90Very high61 Ų6151.9 Ų51.937%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-115.1155.5177.654.30000110.9R203T198-R203 CarbonylContact C-O 3.51Å; T198-R203 VanDerWaalsContact CA-O 3.24Å; T198-R203 WeakPolarHBondContact CA-O 3.35Å; T198-R203 WeakPolarHBondContact CB-O 3.45Å
199Y86.9Confident90.3Very high97 Ų9750.9 Ų50.938%0.3828%0.284SS..  trans-71.4166.7165.4-71.2-80.6000110.2D201 G202 R203 T205 F251Y199-D201 WeakPolarHBondContact CB-OD1 3.37Å; Y199-D201 PolarHBondContact O-N 2.87Å; Y199-D201 VanDerWaalsContact O-N 3.15Å; Y199-G202 WeakPolarHBondContact O-CA 3.2Å; Y199-G202 PolarHBondContact O-N 2.86Å; Y199-R203 HydrophobicContact CD2-CB 3.99Å; Y199-R203 HydrophobicContact CD2-CG 4.35Å; Y199-R203 WeakPolarHBondContact CD2-O 3.34Å; Y199-R203 PolarHBondContact N-O 3.33Å; Y199-T205 HydrophobicContact CD2-CG2 3.74Å; Y199-T205 HydrophobicContact CE2-CG2 3.61Å; Y199-T205 HydrophobicContact CG-CG2 4.27Å; Y199-F251 AromaticContact CD1-CD1 3.87Å; Y199-F251 HydrophobicContact CD1-CD1 3.87Å; Y199-F251 AromaticContact CE1-CD1 3.5Å; Y199-F251 HydrophobicContact CE1-CD1 3.5Å; Y199-F251 AromaticContact CE1-CE1 3.73Å; Y199-F251 HydrophobicContact CE1-CE1 3.73Å; Y199-F251 AromaticContact CZ-CD1 4Å; Y199-F251 AromaticContact CZ-CE1 3.85Å
200P83.2Confident90.8Very high89 Ų8948.5 Ų48.558%0.57826%0.259SS*.THydrogen-bonded Turntrans-64.6-20.7180-2035.4000113.1G202 F251 A254P200-G202 PolarHBondContact O-N 2.68Å; P200-F251 WeakPolarHBondContact CD-O 3.42Å; P200-F251 VanDerWaalsContact CG-O 3.25Å; P200-F251 WeakPolarHBondContact CG-O 3.27Å; P200-A254 HydrophobicContact CG-CB 4.46Å
201D84.8Confident91Very high98 Ų9847.3 Ų47.352%0.52425%0.246SC..THydrogen-bonded Turntrans-80.74.9172.471.6-17000113.1Y199 R203Y199-D201 WeakPolarHBondContact CB-OD1 3.37Å; Y199-D201 PolarHBondContact O-N 2.87Å; Y199-D201 VanDerWaalsContact O-N 3.15Å; D201-R203 VanDerWaalsContact C-N 3.28Å; D201-R203 PolarHBondContact O-N 3.39Å; D201-R203 WeakPolarHBondContact OD1-CB 3.31Å; D201-R203 PolarHBondContact OD1-N 2.83Å; D201-R203 VanDerWaalsContact OD1-N 3.09Å; D201-R203 IonicContact OD2-CZ 2.92Å; D201-R203 IonicContact OD2-NE 2.73Å; D201-R203 PolarHBondContact OD2-NE 3.12Å; D201-R203 VanDerWaalsContact OD2-NE 3.08Å; D201-R203 IonicContact OD2-NH2 3.93Å; D201-R203 PolarHBondContact OD2-NH2 3.1Å
202G85.1Confident91.1Very high50 Ų5042.2 Ų42.252%0.51522%0.224SC..SBendtrans81.3-0.3-178.800000114.4Y199 P200Y199-G202 WeakPolarHBondContact O-CA 3.2Å; Y199-G202 PolarHBondContact O-N 2.86Å; P200-G202 PolarHBondContact O-N 2.68Å
203R90.1Very high91.2Very high151 Ų15137.5 Ų37.557%0.5721%0.211SC*.  trans-70136.6-177.5-170.5-173.4-44.9-153.7-0.2111.3T198 Y199 D201T198-R203 CarbonylContact C-O 3.51Å; T198-R203 VanDerWaalsContact CA-O 3.24Å; T198-R203 WeakPolarHBondContact CA-O 3.35Å; T198-R203 WeakPolarHBondContact CB-O 3.45Å; Y199-R203 HydrophobicContact CD2-CB 3.99Å; Y199-R203 HydrophobicContact CD2-CG 4.35Å; Y199-R203 WeakPolarHBondContact CD2-O 3.34Å; Y199-R203 PolarHBondContact N-O 3.33Å; D201-R203 VanDerWaalsContact C-N 3.28Å; D201-R203 PolarHBondContact O-N 3.39Å; D201-R203 WeakPolarHBondContact OD1-CB 3.31Å; D201-R203 PolarHBondContact OD1-N 2.83Å; D201-R203 VanDerWaalsContact OD1-N 3.09Å; D201-R203 IonicContact OD2-CZ 2.92Å; D201-R203 IonicContact OD2-NE 2.73Å; D201-R203 PolarHBondContact OD2-NE 3.12Å; D201-R203 VanDerWaalsContact OD2-NE 3.08Å; D201-R203 IonicContact OD2-NH2 3.93Å; D201-R203 PolarHBondContact OD2-NH2 3.1Å
204P91.4Very high91.2Very high47 Ų4739.5 Ų39.531%0.30522%0.224SC..EExtended strand (participates in β ladder)trans-70.2135.4178.327.3-33.8000111.5F170F170-P204 HydrophobicContact CB-CG 3.84Å; F170-P204 HydrophobicContact CD1-CG 4.31Å; F170-P204 HydrophobicContact CG-CG 4.38Å; F170-P204 VanDerWaalsContact O-CG 3.28Å; F170-P204 WeakPolarHBondContact O-CG 3.49Å
205T91.3Very high90.9Very high24 Ų2442.5 Ų42.515%0.14724%0.238CC..EExtended strand (participates in β ladder)trans-84.6-18.317664.10000112.9V197 Y199 D207 F251V197-T205 WeakPolarHBondContact CB-OG1 3.38Å; V197-T205 HydrophobicContact CG1-CG2 4.01Å; V197-T205 WeakPolarHBondContact O-CB 3.26Å; V197-T205 VanDerWaalsContact O-CG2 3.31Å; V197-T205 WeakPolarHBondContact O-CG2 3.25Å; V197-T205 PolarHBondContact O-N 3.42Å; V197-T205 PolarHBondContact O-OG1 2.97Å; Y199-T205 HydrophobicContact CD2-CG2 3.74Å; Y199-T205 HydrophobicContact CE2-CG2 3.61Å; Y199-T205 HydrophobicContact CG-CG2 4.27Å; T205-D207 VanDerWaalsContact C-N 3.33Å; T205-D207 PolarHBondContact OG1-N 3.48Å; T205-F251 HydrophobicContact CG2-CD1 3.71Å; T205-F251 HydrophobicContact CG2-CD2 4.19Å; T205-F251 HydrophobicContact CG2-CE1 3.84Å; T205-F251 HydrophobicContact CG2-CE2 4.31Å; T205-F251 HydrophobicContact CG2-CG 3.9Å; T205-F251 HydrophobicContact CG2-CZ 4.14Å
206G92.1Very high90.8Very high7 Ų748.1 Ų48.17%0.07226%0.264CS..EExtended strand (participates in β ladder)trans84.15.4-170.500000114.1G167 L168G167-G206 PolarHBondContact N-O 2.86Å; L168-G206 WeakPolarHBondContact CB-O 3.49Å; L168-G206 PolarHBondContact N-O 2.99Å
207D93.9Very high90.8Very high13 Ų1348.8 Ų48.87%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-105.2143.7169.5-74.7-2.5000110R164 M165 R166 V197 T205R164-D207 IonicContact CZ-OD2 3.74Å; R164-D207 IonicContact NE-OD2 3.67Å; R164-D207 IonicContact NH2-OD2 2.73Å; R164-D207 PolarHBondContact NH2-OD2 3.34Å; M165-D207 VanDerWaalsContact O-CA 3.31Å; M165-D207 WeakPolarHBondContact O-CA 3.35Å; R166-D207 WeakPolarHBondContact CB-OD1 3.23Å; R166-D207 WeakPolarHBondContact CG-OD1 3.45Å; R166-D207 IonicContact CZ-OD2 3.59Å; R166-D207 IonicContact NE-OD1 3.35Å; R166-D207 PolarHBondContact NE-OD1 3.45Å; R166-D207 IonicContact NE-OD2 3.61Å; R166-D207 PolarHBondContact NE-OD2 3.25Å; R166-D207 IonicContact NH2-OD2 3.36Å; R166-D207 PolarHBondContact NH2-OD2 3.08Å; V197-D207 HydrophobicContact CB-CB 4.18Å; V197-D207 WeakPolarHBondContact CB-O 3.32Å; V197-D207 HydrophobicContact CG2-CB 4.18Å; V197-D207 PolarHBondContact N-O 3.4Å; T205-D207 VanDerWaalsContact C-N 3.33Å; T205-D207 PolarHBondContact OG1-N 3.48Å
208A95.7Very high90.9Very high0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans-146.3158.917200000111.1R164 M165 L168 L195 F196R164-A208 CarbonylContact C-O 3.58Å; R164-A208 WeakPolarHBondContact CA-O 3.43Å; M165-A208 HydrophobicContact CB-CB 4.45Å; M165-A208 PolarHBondContact N-O 3.41Å; M165-A208 PolarHBondContact O-N 3.02Å; L168-A208 HydrophobicContact CD1-CB 3.43Å; L168-A208 VanDerWaalsContact CD1-CB 3.43Å; L195-A208 CarbonylContact O-C 3.58Å; L195-A208 VanDerWaalsContact O-CA 3.25Å; L195-A208 WeakPolarHBondContact O-CA 3.24Å; F196-A208 HydrophobicContact CD1-CB 4Å; F196-A208 HydrophobicContact CE1-CB 4.37Å
209F95.4Very high91Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-116140.3171.6-65.1-83.9000110.4F154 I162 V163 R164 I194 L195 V197 E243 V244 V247F154-F209 HydrophobicContact CE1-CB 3.99Å; F154-F209 HydrophobicContact CZ-CB 3.88Å; I162-F209 HydrophobicContact CG2-CB 4.23Å; I162-F209 HydrophobicContact CG2-CD1 3.9Å; I162-F209 HydrophobicContact CG2-CG 4.49Å; V163-F209 CarbonylContact O-C 3.52Å; V163-F209 WeakPolarHBondContact O-CA 3.43Å; R164-F209 HydrophobicContact CB-CD1 3.76Å; R164-F209 HydrophobicContact CB-CE1 3.63Å; R164-F209 HydrophobicContact CG-CD1 4.1Å; R164-F209 HydrophobicContact CG-CE1 3.73Å; R164-F209 HydrophobicContact CG-CZ 4.15Å; I194-F209 CarbonylContact C-O 3.53Å; I194-F209 WeakPolarHBondContact CA-O 3.49Å; L195-F209 HydrophobicContact CB-CB 4.37Å; L195-F209 PolarHBondContact N-O 3.28Å; L195-F209 PolarHBondContact O-N 3.12Å; V197-F209 HydrophobicContact CG2-CD2 3.95Å; V197-F209 HydrophobicContact CG2-CE2 3.8Å; F209-E243 HydrophobicContact CE1-CG 4.4Å; F209-V244 HydrophobicContact CB-CG2 4.45Å; F209-V244 HydrophobicContact CD1-CG2 3.63Å; F209-V244 HydrophobicContact CD2-CG1 4.21Å; F209-V244 HydrophobicContact CD2-CG2 4.26Å; F209-V244 HydrophobicContact CE1-CB 4.45Å; F209-V244 HydrophobicContact CE1-CG2 3.76Å; F209-V244 HydrophobicContact CE2-CB 4.43Å; F209-V244 HydrophobicContact CE2-CG1 4.35Å; F209-V244 HydrophobicContact CE2-CG2 4.39Å; F209-V244 HydrophobicContact CG-CG2 3.87Å; F209-V244 HydrophobicContact CZ-CB 4.36Å; F209-V244 HydrophobicContact CZ-CG2 4.15Å; F209-V247 HydrophobicContact CE2-CB 3.91Å; F209-V247 HydrophobicContact CE2-CG1 3.92Å; F209-V247 HydrophobicContact CE2-CG2 4.39Å; F209-V247 HydrophobicContact CZ-CB 3.84Å; F209-V247 HydrophobicContact CZ-CG1 4.19Å; F209-V247 HydrophobicContact CZ-CG2 3.84Å
210V95.7Very high91.3Very high0 Ų047.2 Ų47.20%026%0.258CS..EExtended strand (participates in β ladder)trans-129.3133.3-176-175.40000109.6I162 V163 M165 V177 F181 I187 G193 I194 F212I162-V210 WeakPolarHBondContact CA-O 3.28Å; V163-V210 PolarHBondContact N-O 3.21Å; V163-V210 PolarHBondContact O-N 3.46Å; M165-V210 HydrophobicContact CG-CG2 3.98Å; M165-V210 HydrophobicContact SD-CG2 3.54Å; M165-V210 VanDerWaalsContact SD-CG2 3.54Å; V177-V210 HydrophobicContact CG1-CG2 4.22Å; F181-V210 HydrophobicContact CE2-CB 4.44Å; F181-V210 HydrophobicContact CE2-CG1 4.17Å; F181-V210 HydrophobicContact CE2-CG2 4.05Å; I187-V210 HydrophobicContact CB-CG1 4.23Å; I187-V210 HydrophobicContact CD1-CG1 3.75Å; I187-V210 HydrophobicContact CG1-CG1 3.71Å; I187-V210 HydrophobicContact CG2-CG1 3.61Å; G193-V210 WeakPolarHBondContact O-CA 3.4Å; I194-V210 HydrophobicContact CG1-CG2 4.43Å; I194-V210 HydrophobicContact CG2-CG2 4.45Å; V210-F212 HydrophobicContact CB-CE2 4.09Å; V210-F212 HydrophobicContact CG1-CD2 4.45Å; V210-F212 HydrophobicContact CG1-CE2 3.74Å; V210-F212 HydrophobicContact CG1-CZ 3.78Å
211L94.1Very high91.9Very high2 Ų243 Ų431%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-94.4134.8177.4-60.7175.2000111.5F154 Q160 I162 I187 T188 G193F154-L211 HydrophobicContact CD1-CD2 4.34Å; F154-L211 HydrophobicContact CD2-CD1 3.9Å; F154-L211 HydrophobicContact CD2-CG 4.31Å; F154-L211 HydrophobicContact CE1-CD1 4.36Å; F154-L211 HydrophobicContact CE1-CD2 3.66Å; F154-L211 HydrophobicContact CE1-CG 3.96Å; F154-L211 HydrophobicContact CE2-CD1 3.67Å; F154-L211 HydrophobicContact CE2-CD2 4.25Å; F154-L211 HydrophobicContact CE2-CG 3.6Å; F154-L211 HydrophobicContact CG-CD1 4.35Å; F154-L211 HydrophobicContact CZ-CD1 3.93Å; F154-L211 HydrophobicContact CZ-CD2 3.62Å; F154-L211 HydrophobicContact CZ-CG 3.42Å; F154-L211 VanDerWaalsContact CZ-CG 3.42Å; F154-L211 VanDerWaalsContact O-CD1 3.28Å; F154-L211 WeakPolarHBondContact O-CD1 2.91Å; Q160-L211 HydrophobicContact CB-CD2 4.11Å; I162-L211 HydrophobicContact CG1-CD2 3.83Å; I187-L211 WeakPolarHBondContact CG2-O 3.33Å; T188-L211 PolarHBondContact N-O 3.19Å; T188-L211 PolarHBondContact OG1-O 3.2Å; G193-L211 PolarHBondContact O-N 2.74Å
212F93.6Very high92.3Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-121.2139.2172.2-66.3-81.7000110.7Q160 V161 V163 F181 C185 I187 V210 C214 A218 A221Q160-F212 WeakPolarHBondContact CA-O 3.31Å; Q160-F212 PolarHBondContact OE1-O 3.48Å; V161-F212 PolarHBondContact N-O 3.47Å; V161-F212 PolarHBondContact O-N 3.26Å; V163-F212 HydrophobicContact CB-CD2 4.29Å; V163-F212 HydrophobicContact CB-CE2 3.84Å; V163-F212 HydrophobicContact CG2-CD2 3.75Å; V163-F212 HydrophobicContact CG2-CE2 3.64Å; F181-F212 AromaticContact CD1-CZ 3.95Å; F181-F212 HydrophobicContact CD1-CZ 3.95Å; F181-F212 HydrophobicContact CD2-CZ 4.24Å; F181-F212 HydrophobicContact CE1-CZ 4.02Å; F181-F212 HydrophobicContact CE2-CZ 4.27Å; F181-F212 HydrophobicContact CG-CE1 4.45Å; F181-F212 HydrophobicContact CG-CZ 4.06Å; F181-F212 HydrophobicContact CZ-CZ 4.16Å; C185-F212 HydrophobicContact CB-CE1 3.93Å; I187-F212 HydrophobicContact CG1-CE1 4.33Å; V210-F212 HydrophobicContact CB-CE2 4.09Å; V210-F212 HydrophobicContact CG1-CD2 4.45Å; V210-F212 HydrophobicContact CG1-CE2 3.74Å; V210-F212 HydrophobicContact CG1-CZ 3.78Å; F212-C214 PolarHBondContact O-N 3.17Å; F212-A218 HydrophobicContact CB-CB 4.07Å; F212-A218 HydrophobicContact CD2-CB 4.13Å; F212-A218 HydrophobicContact CG-CB 4.23Å; F212-A221 HydrophobicContact CE1-CB 3.89Å; F212-A221 HydrophobicContact CE2-CB 3.8Å; F212-A221 HydrophobicContact CZ-CB 3.39Å
213A90.3Very high92.8Very high52 Ų5245.9 Ų45.943%0.4322%0.221SC..SBendtrans-69.9-16.9-173.900000113.8T188T188-A213 WeakPolarHBondContact OG1-CA 3.24Å; T188-A213 PolarHBondContact OG1-N 3.48Å
214C89.1Confident93Very high43 Ų4340.8 Ų40.829%0.29120%0.203SC..SBendtrans-155164.9178.567.50000111.9F212 E216 Y217 A218F212-C214 PolarHBondContact O-N 3.17Å; C214-E216 VanDerWaalsContact C-N 3.26Å; C214-E216 PolarHBondContact O-N 3.3Å; C214-Y217 PolarHBondContact O-N 2.88Å; C214-Y217 WeakPolarHBondContact SG-CD2 3.39Å; C214-A218 PolarHBondContact O-N 2.83Å
215E88.3Confident93.1Very high80 Ų8041.2 Ų41.237%0.37420%0.2SC..Hα-helixtrans-60.1-35.1177.7-168.566.8-162.300112.6V161 A218 Q219 R238V161-E215 WeakPolarHBondContact CG2-OE2 3.29Å; E215-A218 PolarHBondContact O-N 2.8Å; E215-Q219 WeakPolarHBondContact O-CB 3.4Å; E215-Q219 PolarHBondContact O-N 3.09Å; E215-R238 VanDerWaalsContact CD-NH2 3.34Å; E215-R238 IonicContact OE1-CZ 2.82Å; E215-R238 IonicContact OE1-NE 3.46Å; E215-R238 PolarHBondContact OE1-NE 3.42Å; E215-R238 VanDerWaalsContact OE1-NE 3.09Å; E215-R238 IonicContact OE1-NH2 3.16Å; E215-R238 PolarHBondContact OE1-NH2 2.93Å; E215-R238 IonicContact OE2-CZ 2.71Å; E215-R238 IonicContact OE2-NE 3.57Å; E215-R238 IonicContact OE2-NH2 2.77Å; E215-R238 PolarHBondContact OE2-NH2 3.22Å
216E91.6Very high93.3Very high131 Ų13146.3 Ų46.361%0.61222%0.221SC*.Hα-helixtrans-62.3-48.5-178.8-173.4-177.3168.400111.5C214 A218 Q219 N220C214-E216 VanDerWaalsContact C-N 3.26Å; C214-E216 PolarHBondContact O-N 3.3Å; E216-A218 VanDerWaalsContact C-N 3.35Å; E216-A218 PolarHBondContact O-N 3.23Å; E216-Q219 PolarHBondContact O-N 3.39Å; E216-N220 WeakPolarHBondContact O-CB 3.5Å; E216-N220 PolarHBondContact O-N 3.18Å; E216-N220 PolarHBondContact O-ND2 3.34Å; E216-N220 PolarHBondContact O-OD1 2.95Å
217Y93.9Very high93.4Very high79 Ų7950 Ų5031%0.3124%0.236SC..Hα-helixtrans-65.4-38.7178.1-62.2-27.5000112.3P186 C214 N220 A221P186-Y217 HydrophobicContact CG-CD1 4.44Å; P186-Y217 HydrophobicContact CG-CD2 3.72Å; P186-Y217 HydrophobicContact CG-CE1 4.2Å; P186-Y217 HydrophobicContact CG-CE2 3.44Å; P186-Y217 VanDerWaalsContact CG-CE2 3.44Å; P186-Y217 HydrophobicContact CG-CG 4.23Å; C214-Y217 PolarHBondContact O-N 2.88Å; C214-Y217 WeakPolarHBondContact SG-CD2 3.39Å; Y217-N220 PolarHBondContact O-N 3.23Å; Y217-A221 WeakPolarHBondContact O-CB 3.32Å; Y217-A221 PolarHBondContact O-N 2.76Å
218A92.7Very high93.4Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-63.9-41.417400000111.8V161 V163 F212 C214 E215 E216 N220 A221 L222V161-A218 HydrophobicContact CB-CB 3.7Å; V161-A218 HydrophobicContact CG1-CB 3.36Å; V161-A218 HydrophobicContact CG2-CB 4.44Å; V163-A218 HydrophobicContact CG2-CB 4.18Å; F212-A218 HydrophobicContact CB-CB 4.07Å; F212-A218 HydrophobicContact CD2-CB 4.13Å; F212-A218 HydrophobicContact CG-CB 4.23Å; C214-A218 PolarHBondContact O-N 2.83Å; E215-A218 PolarHBondContact O-N 2.8Å; E216-A218 VanDerWaalsContact C-N 3.35Å; E216-A218 PolarHBondContact O-N 3.23Å; A218-N220 VanDerWaalsContact C-N 3.34Å; A218-N220 PolarHBondContact O-N 3.23Å; A218-A221 WeakPolarHBondContact O-CB 3.48Å; A218-A221 PolarHBondContact O-N 3.45Å; A218-L222 VanDerWaalsContact O-CG 3.25Å; A218-L222 WeakPolarHBondContact O-CG 3.25Å; A218-L222 PolarHBondContact O-N 3.3Å
219Q92.1Very high93.3Very high99 Ų9955.6 Ų55.646%0.46327%0.265SS..Hα-helixtrans-64.5-40.4177-171.162.826.300111.4E215 E216 A221 L222 R223E215-Q219 WeakPolarHBondContact O-CB 3.4Å; E215-Q219 PolarHBondContact O-N 3.09Å; E216-Q219 PolarHBondContact O-N 3.39Å; Q219-A221 VanDerWaalsContact C-N 3.35Å; Q219-L222 PolarHBondContact O-N 3.49Å; Q219-R223 WeakPolarHBondContact O-CG 3.03Å; Q219-R223 PolarHBondContact O-N 3.1Å
220N94.1Very high93Very high27 Ų2758.9 Ų58.914%0.14430%0.299CS..Hα-helixtrans-64.3-41.5174.8-61.3-9.4000111.3C185 E216 Y217 A218 R223C185-N220 HydrophobicContact CB-CB 4.49Å; C185-N220 VanDerWaalsContact SG-C 3.58Å; C185-N220 WeakPolarHBondContact SG-CB 3Å; E216-N220 WeakPolarHBondContact O-CB 3.5Å; E216-N220 PolarHBondContact O-N 3.18Å; E216-N220 PolarHBondContact O-ND2 3.34Å; E216-N220 PolarHBondContact O-OD1 2.95Å; Y217-N220 PolarHBondContact O-N 3.23Å; A218-N220 VanDerWaalsContact C-N 3.34Å; A218-N220 PolarHBondContact O-N 3.23Å; N220-R223 WeakPolarHBondContact O-CB 3.46Å; N220-R223 PolarHBondContact O-N 2.93Å; N220-R223 PolarHBondContact OD1-NH2 2.8Å
221A94.8Very high92.8Very high0 Ų068.6 Ų68.60%034%0.341CS..Hα-helixtrans-60.1-45.8173.700000111.5F181 C185 F212 Y217 A218 Q219 R223 K224 L236F181-A221 HydrophobicContact CD1-CB 3.63Å; F181-A221 HydrophobicContact CE1-CB 3.54Å; C185-A221 HydrophobicContact CB-CB 4.33Å; F212-A221 HydrophobicContact CE1-CB 3.89Å; F212-A221 HydrophobicContact CE2-CB 3.8Å; F212-A221 HydrophobicContact CZ-CB 3.39Å; Y217-A221 WeakPolarHBondContact O-CB 3.32Å; Y217-A221 PolarHBondContact O-N 2.76Å; A218-A221 WeakPolarHBondContact O-CB 3.48Å; A218-A221 PolarHBondContact O-N 3.45Å; Q219-A221 VanDerWaalsContact C-N 3.35Å; A221-R223 PolarHBondContact O-N 2.63Å; A221-K224 WeakPolarHBondContact O-CB 3.47Å; A221-K224 PolarHBondContact O-N 3.35Å; A221-L236 WeakPolarHBondContact O-CD1 3.35Å
222L93.8Very high92.7Very high35 Ų3574.5 Ų74.518%0.18336%0.363CS..Hα-helixtrans-62.6-25.9178.2-68.5168.5000113.2V163 A218 Q219 K224 H225 L236 R238V163-L222 HydrophobicContact CG1-CD2 4.05Å; V163-L222 HydrophobicContact CG2-CD2 4.43Å; A218-L222 VanDerWaalsContact O-CG 3.25Å; A218-L222 WeakPolarHBondContact O-CG 3.25Å; A218-L222 PolarHBondContact O-N 3.3Å; Q219-L222 PolarHBondContact O-N 3.49Å; L222-K224 PolarHBondContact O-N 2.73Å; L222-H225 VanDerWaalsContact O-CB 3.24Å; L222-H225 WeakPolarHBondContact O-CB 3.45Å; L222-H225 PolarHBondContact O-N 3.25Å; L222-L236 HydrophobicContact CD2-CB 4.21Å; L222-R238 HydrophobicContact CD1-CB 4.06Å
223R94.4Very high92.8Very high173 Ų17380.4 Ų80.465%0.65339%0.387SS*.Hα-helixtrans-65-20.7172.6-70-174.1-79.7132.3-17.6113Q219 N220 A221 H225Q219-R223 WeakPolarHBondContact O-CG 3.03Å; Q219-R223 PolarHBondContact O-N 3.1Å; N220-R223 WeakPolarHBondContact O-CB 3.46Å; N220-R223 PolarHBondContact O-N 2.93Å; N220-R223 PolarHBondContact OD1-NH2 2.8Å; A221-R223 PolarHBondContact O-N 2.63Å; R223-H225 PolarHBondContact O-N 2.66Å
224K94.3Very high93.1Very high44 Ų4478 Ų7819%0.19137%0.366CS..THydrogen-bonded Turntrans-83.810.4176-44.9-166.681.8158.20113.2F180 F181 A221 L222 K226 E227 L236F180-K224 HydrophobicContact CE1-CB 4.28Å; F180-K224 HydrophobicContact CZ-CB 4.12Å; F180-K224 WeakPolarHBondContact O-CE 3.39Å; F180-K224 PolarHBondContact O-NZ 3.08Å; F181-K224 HydrophobicContact CD1-CD 4.44Å; A221-K224 WeakPolarHBondContact O-CB 3.47Å; A221-K224 PolarHBondContact O-N 3.35Å; L222-K224 PolarHBondContact O-N 2.73Å; K224-K226 PolarHBondContact O-N 3.26Å; K224-E227 WeakPolarHBondContact CA-OE1 3.4Å; K224-E227 HydrophobicContact CB-CB 4.46Å; K224-E227 HydrophobicContact CB-CG 4.15Å; K224-E227 WeakPolarHBondContact CE-OE2 3.2Å; K224-E227 IonicContact NZ-OE2 2.71Å; K224-E227 VanDerWaalsContact O-CB 3.28Å; K224-E227 WeakPolarHBondContact O-CB 3.24Å; K224-E227 WeakPolarHBondContact O-CG 3.42Å; K224-E227 PolarHBondContact O-N 2.96Å; K224-L236 HydrophobicContact CB-CD1 4.04Å
225H94.3Very high93.4Very high56 Ų5678.8 Ų78.826%0.25937%0.366SS..THydrogen-bonded Turntrans-58.4129.6178.6178.893.8000110.7L222 R223 E227 L236L222-H225 VanDerWaalsContact O-CB 3.24Å; L222-H225 WeakPolarHBondContact O-CB 3.45Å; L222-H225 PolarHBondContact O-N 3.25Å; R223-H225 PolarHBondContact O-N 2.66Å; H225-E227 VanDerWaalsContact C-N 3.28Å; H225-L236 HydrophobicContact CB-CB 4.33Å; H225-L236 PolarHBondContact ND1-N 3.38Å; H225-L236 PolarHBondContact ND1-O 2.89Å
226K94.6Very high93.7Very high131 Ų13175.2 Ų75.257%0.5735%0.349SS*.THydrogen-bonded Turntrans69.99.6-173.1-64.6166.9178.9-177.10115.9K224 I234K224-K226 PolarHBondContact O-N 3.26Å; K226-I234 VanDerWaalsContact CA-O 3.27Å; K226-I234 WeakPolarHBondContact CA-O 3.34Å; K226-I234 PolarHBondContact N-O 2.87Å
227E95.8Very high93.7Very high86 Ų8671 Ų7140%0.40233%0.329SS..  trans-67158.9165.9-69.9-174.3-165.800111.4F180 K224 H225 Y233 I234F180-E227 HydrophobicContact CE2-CB 3.79Å; F180-E227 HydrophobicContact CZ-CB 4.01Å; K224-E227 WeakPolarHBondContact CA-OE1 3.4Å; K224-E227 HydrophobicContact CB-CB 4.46Å; K224-E227 HydrophobicContact CB-CG 4.15Å; K224-E227 WeakPolarHBondContact CE-OE2 3.2Å; K224-E227 IonicContact NZ-OE2 2.71Å; K224-E227 VanDerWaalsContact O-CB 3.28Å; K224-E227 WeakPolarHBondContact O-CB 3.24Å; K224-E227 WeakPolarHBondContact O-CG 3.42Å; K224-E227 PolarHBondContact O-N 2.96Å; H225-E227 VanDerWaalsContact C-N 3.28Å; E227-Y233 CarbonylContact O-C 3.59Å; E227-Y233 WeakPolarHBondContact O-CA 3.13Å; E227-I234 PolarHBondContact O-N 3.46Å
228L93.6Very high93.6Very high118 Ų11868.5 Ų68.562%0.61832%0.319SS*.EExtended strand (participates in β ladder)trans-88.3133.3-175.7-65.8173.3000111.5R232L228-R232 CarbonylContact C-O 3.49Å; L228-R232 WeakPolarHBondContact CA-O 3.5Å
229L93.4Very high93.6Very high11 Ų1168.8 Ų68.86%0.05832%0.321CS..EExtended strand (participates in β ladder)trans-114.4108.3161.1-164.1157.8000107.3L168 P169 A172 E176 V177 F180 K231 R232 I234L168-L229 HydrophobicContact CD2-CD1 3.92Å; P169-L229 HydrophobicContact CG-CD2 3.82Å; P169-L229 WeakPolarHBondContact CG-O 3.39Å; A172-L229 HydrophobicContact CB-CD2 4.29Å; E176-L229 HydrophobicContact CB-CD2 4.41Å; V177-L229 HydrophobicContact CG2-CD1 4.37Å; F180-L229 HydrophobicContact CB-CD1 3.84Å; F180-L229 HydrophobicContact CD2-CB 4.08Å; F180-L229 HydrophobicContact CD2-CD1 4.16Å; F180-L229 HydrophobicContact CD2-CG 4.39Å; F180-L229 HydrophobicContact CE2-CB 4.49Å; F180-L229 HydrophobicContact CG-CD1 4.04Å; L229-K231 PolarHBondContact O-N 3.2Å; L229-K231 VanDerWaalsContact O-N 3.17Å; L229-R232 PolarHBondContact N-O 3.28Å; L229-R232 PolarHBondContact O-N 3.49Å; L229-R232 VanDerWaalsContact O-N 3.16Å; L229-I234 HydrophobicContact CB-CD1 3.91Å; L229-I234 HydrophobicContact CB-CG1 3.57Å
230G89.4Confident93.5Very high69 Ų6964.4 Ų64.471%0.71130%0.301SS*.THydrogen-bonded Turntrans59.9-115.1-16700000111.4
231K90.6Very high93.2Very high205 Ų20563.6 Ų63.689%0.89130%0.298SS*.THydrogen-bonded Turntrans-1038.9-179.6-61.8-178-178.6177.20113.7L229L229-K231 PolarHBondContact O-N 3.2Å; L229-K231 VanDerWaalsContact O-N 3.17Å
232R92.9Very high92.9Very high125 Ų12563.9 Ų63.947%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-119.5131.6-173.1-61.5-66.9-65.3-177-2.1109.4G167 P169 L228 L229 I234G167-R232 WeakPolarHBondContact O-CB 3.25Å; P169-R232 HydrophobicContact CB-CG 4.4Å; P169-R232 HydrophobicContact CG-CB 4.06Å; P169-R232 HydrophobicContact CG-CG 3.82Å; L228-R232 CarbonylContact C-O 3.49Å; L228-R232 WeakPolarHBondContact CA-O 3.5Å; L229-R232 PolarHBondContact N-O 3.28Å; L229-R232 PolarHBondContact O-N 3.49Å; L229-R232 VanDerWaalsContact O-N 3.16Å; R232-I234 HydrophobicContact CB-CD1 4.41Å
233Y95.3Very high92.7Very high125 Ų12562.3 Ų62.349%0.4929%0.292SS..EExtended strand (participates in β ladder)trans-74139.9166.860.9-95.8000108.9E227 E235E227-Y233 CarbonylContact O-C 3.59Å; E227-Y233 WeakPolarHBondContact O-CA 3.13Å; Y233-E235 HydrophobicContact CD2-CG 4.28Å; Y233-E235 HydrophobicContact CE2-CG 4.21Å
234I96.6Very high92.5Very high0 Ų054.1 Ų54.10%026%0.261CS..  trans-106.2125.7-177.6-56.1-51.2000109.7M165 G167 L168 F180 K226 E227 L229 R232 L236M165-I234 HydrophobicContact CB-CG2 4.18Å; M165-I234 HydrophobicContact CE-CG2 3.78Å; G167-I234 WeakPolarHBondContact O-CD1 3.15Å; L168-I234 HydrophobicContact CD2-CD1 3.96Å; L168-I234 HydrophobicContact CG-CD1 4.4Å; F180-I234 HydrophobicContact CE2-CG1 4.36Å; F180-I234 HydrophobicContact CZ-CB 4.18Å; F180-I234 HydrophobicContact CZ-CG1 4.46Å; K226-I234 VanDerWaalsContact CA-O 3.27Å; K226-I234 WeakPolarHBondContact CA-O 3.34Å; K226-I234 PolarHBondContact N-O 2.87Å; E227-I234 PolarHBondContact O-N 3.46Å; L229-I234 HydrophobicContact CB-CD1 3.91Å; L229-I234 HydrophobicContact CB-CG1 3.57Å; R232-I234 HydrophobicContact CB-CD1 4.41Å; I234-L236 HydrophobicContact CG2-CD2 3.79Å; I234-L236 HydrophobicContact CG2-CG 4.33Å
235E94.4Very high92.2Very high60 Ų6052.6 Ų52.628%0.2826%0.255SS..EExtended strand (participates in β ladder)trans-91.4125.6173.6-58.6-17992.200109.6M165 R166 Y233 F237M165-E235 CarbonylContact C-O 3.36Å; M165-E235 WeakPolarHBondContact CA-O 3.48Å; R166-E235 HydrophobicContact CB-CB 4.33Å; R166-E235 PolarHBondContact N-O 2.84Å; R166-E235 PolarHBondContact O-N 3.32Å; Y233-E235 HydrophobicContact CD2-CG 4.28Å; Y233-E235 HydrophobicContact CE2-CG 4.21Å; E235-F237 HydrophobicContact CB-CD2 4.46Å; E235-F237 HydrophobicContact CB-CE2 3.47Å; E235-F237 VanDerWaalsContact CB-CE2 3.47Å; E235-F237 HydrophobicContact CB-CZ 3.75Å
236L94.7Very high92Very high5 Ų551 Ų513%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-112.1133.5-179.2-58.6176000111.1V163 R164 M165 F180 F181 A221 L222 K224 H225 I234V163-L236 HydrophobicContact CG1-CB 4.18Å; V163-L236 HydrophobicContact CG1-CD2 4.29Å; R164-L236 WeakPolarHBondContact O-CA 3.5Å; M165-L236 HydrophobicContact CB-CD2 4.16Å; M165-L236 HydrophobicContact CE-CD2 4.17Å; M165-L236 HydrophobicContact CG-CD2 3.63Å; F180-L236 HydrophobicContact CE1-CD1 4.1Å; F180-L236 HydrophobicContact CZ-CD1 4.45Å; F181-L236 HydrophobicContact CE1-CD1 3.94Å; F181-L236 HydrophobicContact CE1-CD2 4.26Å; F181-L236 HydrophobicContact CZ-CD1 4.43Å; F181-L236 HydrophobicContact CZ-CD2 3.92Å; A221-L236 WeakPolarHBondContact O-CD1 3.35Å; L222-L236 HydrophobicContact CD2-CB 4.21Å; K224-L236 HydrophobicContact CB-CD1 4.04Å; H225-L236 HydrophobicContact CB-CB 4.33Å; H225-L236 PolarHBondContact ND1-N 3.38Å; H225-L236 PolarHBondContact ND1-O 2.89Å; I234-L236 HydrophobicContact CG2-CD2 3.79Å; I234-L236 HydrophobicContact CG2-CG 4.33Å
237F92.8Very high91.7Very high42 Ų4244.8 Ų44.818%0.18422%0.22CC..EExtended strand (participates in β ladder)trans-139.1130.3-179.9-52.6-84.4000111.9V163 R164 R166 E235 S239V163-F237 WeakPolarHBondContact CA-O 3.42Å; R164-F237 PolarHBondContact N-O 3.32Å; R164-F237 PolarHBondContact O-N 3.04Å; R166-F237 HydrophobicContact CG-CD2 4.29Å; R166-F237 HydrophobicContact CG-CE2 4.11Å; E235-F237 HydrophobicContact CB-CD2 4.46Å; E235-F237 HydrophobicContact CB-CE2 3.47Å; E235-F237 VanDerWaalsContact CB-CE2 3.47Å; E235-F237 HydrophobicContact CB-CZ 3.75Å; F237-S239 PolarHBondContact O-N 3.12Å; F237-S239 PolarHBondContact O-OG 3.43Å
238R91.8Very high91.3Very high28 Ų2841 Ų4111%0.10620%0.203CC..EExtended strand (participates in β ladder)trans-60.9123.1171.1-168.3178.3-163-93.52.3109.1D73 R100 E215 L222D73-R238 IonicContact OD1-CZ 3.25Å; D73-R238 IonicContact OD1-NH1 2.93Å; D73-R238 PolarHBondContact OD1-NH1 3.33Å; D73-R238 IonicContact OD2-NH1 3.91Å; R100-R238 PolarHBondContact NH1-O 2.73Å; R100-R238 PolarHBondContact NH2-O 3.39Å; E215-R238 VanDerWaalsContact CD-NH2 3.34Å; E215-R238 IonicContact OE1-CZ 2.82Å; E215-R238 IonicContact OE1-NE 3.46Å; E215-R238 PolarHBondContact OE1-NE 3.42Å; E215-R238 VanDerWaalsContact OE1-NE 3.09Å; E215-R238 IonicContact OE1-NH2 3.16Å; E215-R238 PolarHBondContact OE1-NH2 2.93Å; E215-R238 IonicContact OE2-CZ 2.71Å; E215-R238 IonicContact OE2-NE 3.57Å; E215-R238 IonicContact OE2-NH2 2.77Å; E215-R238 PolarHBondContact OE2-NH2 3.22Å; L222-R238 HydrophobicContact CD1-CB 4.06Å
239S91.7Very high90.8Very high5 Ų538 Ų384%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-122.1161.4-168.8-64.10000112.1I162 R164 F237I162-S239 PolarHBondContact O-N 3.14Å; R164-S239 WeakPolarHBondContact CB-OG 3.39Å; R164-S239 PolarHBondContact N-OG 2.9Å; F237-S239 PolarHBondContact O-N 3.12Å; F237-S239 PolarHBondContact O-OG 3.43Å
240T89.7Confident90.3Very high7 Ų741.1 Ų41.14%0.04320%0.199CC..  trans-107.6163.5177.568.30000111.2D73 L92 A242 E243 V244D73-T240 HydrophobicContact CB-CG2 3.63Å; L92-T240 HydrophobicContact CD1-CG2 4.21Å; T240-A242 PolarHBondContact O-N 3.18Å; T240-E243 WeakPolarHBondContact O-CB 3.41Å; T240-E243 PolarHBondContact O-N 2.97Å; T240-E243 PolarHBondContact OG1-N 3.07Å; T240-E243 VanDerWaalsContact OG1-N 3.15Å; T240-V244 PolarHBondContact O-N 3.31Å; T240-V244 VanDerWaalsContact O-N 3.16Å
241A87.9Confident89.8Confident10 Ų1039.5 Ų39.58%0.08317%0.172CC..Hα-helixtrans-54.1-40.9170.800000112.2G48 T49 L155 E243 V244 Q245G48-A241 VanDerWaalsContact O-CB 3.29Å; G48-A241 WeakPolarHBondContact O-CB 3.18Å; T49-A241 HydrophobicContact CG2-CB 3.89Å; L155-A241 HydrophobicContact CD1-CB 3.75Å; A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 PolarHBondContact O-N 2.63Å; A241-V244 WeakPolarHBondContact O-CB 3.37Å; A241-V244 PolarHBondContact O-N 2.82Å; A241-Q245 WeakPolarHBondContact O-CG 3.48Å; A241-Q245 PolarHBondContact O-N 2.9Å; A241-Q245 VanDerWaalsContact O-N 3.12Å
242A88.4Confident88.8Confident7 Ų732.9 Ų32.96%0.05815%0.152CC..Hα-helixtrans-62.8-35.3175.100000112.4A91 A144 T240 Q245 Q246A91-A242 HydrophobicContact CB-CB 3.83Å; A144-A242 HydrophobicContact CB-CB 3.97Å; T240-A242 PolarHBondContact O-N 3.18Å; A242-Q245 PolarHBondContact O-N 3.33Å; A242-Q246 WeakPolarHBondContact O-CB 3.43Å; A242-Q246 VanDerWaalsContact O-CG 3.31Å; A242-Q246 WeakPolarHBondContact O-CG 3.43Å; A242-Q246 PolarHBondContact O-N 2.86Å; A242-Q246 PolarHBondContact O-NE2 3.46Å; A242-Q246 VanDerWaalsContact O-NE2 3.1Å
243E90.8Very high86.9Confident2 Ų230.9 Ų30.91%0.00916%0.157CC..Hα-helixtrans-66-41.7176.2-170.5169.4166.600111.3L94 R100 R164 F209 T240 A241 Q246 V247L94-E243 HydrophobicContact CD1-CG 4Å; L94-E243 HydrophobicContact CD2-CG 4.16Å; L94-E243 HydrophobicContact CG-CG 4.41Å; R100-E243 IonicContact CZ-OE2 3.74Å; R100-E243 IonicContact NE-OE2 3.62Å; R100-E243 PolarHBondContact NE-OE2 3.29Å; R100-E243 IonicContact NH2-OE1 2.69Å; R100-E243 IonicContact NH2-OE2 3.5Å; R100-E243 PolarHBondContact NH2-OE2 3.01Å; R164-E243 WeakPolarHBondContact CD-OE1 3.27Å; R164-E243 IonicContact CZ-OE1 3.59Å; R164-E243 IonicContact NE-OE1 3.58Å; R164-E243 IonicContact NH1-OE1 2.7Å; R164-E243 PolarHBondContact NH1-OE1 3.43Å; F209-E243 HydrophobicContact CE1-CG 4.4Å; T240-E243 WeakPolarHBondContact O-CB 3.41Å; T240-E243 PolarHBondContact O-N 2.97Å; T240-E243 PolarHBondContact OG1-N 3.07Å; T240-E243 VanDerWaalsContact OG1-N 3.15Å; A241-E243 VanDerWaalsContact C-N 3.3Å; A241-E243 PolarHBondContact O-N 2.63Å; E243-Q246 PolarHBondContact O-N 2.93Å; E243-V247 HydrophobicContact CG-CG2 4.5Å; E243-V247 WeakPolarHBondContact O-CG2 3.25Å; E243-V247 PolarHBondContact O-N 2.87Å
244V90.6Very high84.3Confident0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-57.8-50.3174.8-179.60000110.6V151 F154 I162 L195 F209 T240 A241 V247 L248V151-V244 HydrophobicContact CG1-CB 4.46Å; V151-V244 HydrophobicContact CG1-CG1 3.73Å; F154-V244 HydrophobicContact CD1-CG1 4.42Å; I162-V244 HydrophobicContact CD1-CG2 4.16Å; I162-V244 HydrophobicContact CG2-CG2 3.9Å; L195-V244 HydrophobicContact CD2-CG1 4.07Å; F209-V244 HydrophobicContact CB-CG2 4.45Å; F209-V244 HydrophobicContact CD1-CG2 3.63Å; F209-V244 HydrophobicContact CD2-CG1 4.21Å; F209-V244 HydrophobicContact CD2-CG2 4.26Å; F209-V244 HydrophobicContact CE1-CB 4.45Å; F209-V244 HydrophobicContact CE1-CG2 3.76Å; F209-V244 HydrophobicContact CE2-CB 4.43Å; F209-V244 HydrophobicContact CE2-CG1 4.35Å; F209-V244 HydrophobicContact CE2-CG2 4.39Å; F209-V244 HydrophobicContact CG-CG2 3.87Å; F209-V244 HydrophobicContact CZ-CB 4.36Å; F209-V244 HydrophobicContact CZ-CG2 4.15Å; T240-V244 PolarHBondContact O-N 3.31Å; T240-V244 VanDerWaalsContact O-N 3.16Å; A241-V244 WeakPolarHBondContact O-CB 3.37Å; A241-V244 PolarHBondContact O-N 2.82Å; V244-V247 PolarHBondContact O-N 3.28Å; V244-L248 HydrophobicContact CG1-CD1 3.68Å; V244-L248 PolarHBondContact O-N 3.01Å
245Q87.9Confident81.5Confident12 Ų1233.2 Ų33.26%0.05619%0.191CC..Hα-helixtrans-59.8-47.6178.6-67-72.8-600112.1V151 A241 A242 V247 L248 N249V151-Q245 VanDerWaalsContact CG1-CD 3.47Å; V151-Q245 HydrophobicContact CG1-CG 4.08Å; A241-Q245 WeakPolarHBondContact O-CG 3.48Å; A241-Q245 PolarHBondContact O-N 2.9Å; A241-Q245 VanDerWaalsContact O-N 3.12Å; A242-Q245 PolarHBondContact O-N 3.33Å; Q245-V247 PolarHBondContact O-N 2.85Å; Q245-L248 PolarHBondContact O-N 3.15Å; Q245-N249 VanDerWaalsContact O-CB 3.25Å; Q245-N249 WeakPolarHBondContact O-CB 3.34Å; Q245-N249 PolarHBondContact O-N 3.16Å; Q245-N249 PolarHBondContact O-ND2 2.92Å
246Q88.8Confident78.5Confident23 Ų2337.2 Ų37.211%0.10721%0.213CC..Hα-helixtrans-62.3-42.1-179.8-77.8171.777.900113L92 L94 I143 A242 E243 R250L92-Q246 PolarHBondContact O-NE2 2.86Å; L94-Q246 HydrophobicContact CD1-CB 4.02Å; I143-Q246 VanDerWaalsContact CG2-CD 3.49Å; I143-Q246 HydrophobicContact CG2-CG 4.31Å; I143-Q246 WeakPolarHBondContact O-CG 3.44Å; A242-Q246 WeakPolarHBondContact O-CB 3.43Å; A242-Q246 VanDerWaalsContact O-CG 3.31Å; A242-Q246 WeakPolarHBondContact O-CG 3.43Å; A242-Q246 PolarHBondContact O-N 2.86Å; A242-Q246 PolarHBondContact O-NE2 3.46Å; A242-Q246 VanDerWaalsContact O-NE2 3.1Å; E243-Q246 PolarHBondContact O-N 2.93Å; Q246-R250 PolarHBondContact O-N 3.34Å
247V89.8Confident75.6Confident0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-66.9-47.6179.8171.60000110L94 V197 F209 E243 V244 Q245 R250 F251L94-V247 HydrophobicContact CD1-CG2 3.5Å; V197-V247 HydrophobicContact CB-CG1 4.44Å; V197-V247 HydrophobicContact CG1-CG1 3.84Å; V197-V247 HydrophobicContact CG2-CG1 3.85Å; F209-V247 HydrophobicContact CE2-CB 3.91Å; F209-V247 HydrophobicContact CE2-CG1 3.92Å; F209-V247 HydrophobicContact CE2-CG2 4.39Å; F209-V247 HydrophobicContact CZ-CB 3.84Å; F209-V247 HydrophobicContact CZ-CG1 4.19Å; F209-V247 HydrophobicContact CZ-CG2 3.84Å; E243-V247 HydrophobicContact CG-CG2 4.5Å; E243-V247 WeakPolarHBondContact O-CG2 3.25Å; E243-V247 PolarHBondContact O-N 2.87Å; V244-V247 PolarHBondContact O-N 3.28Å; Q245-V247 PolarHBondContact O-N 2.85Å; V247-R250 WeakPolarHBondContact O-CB 3.36Å; V247-R250 PolarHBondContact O-N 2.86Å; V247-F251 HydrophobicContact CG1-CD2 4.06Å; V247-F251 HydrophobicContact CG1-CE2 4.08Å; V247-F251 WeakPolarHBondContact O-CD2 3.47Å; V247-F251 PolarHBondContact O-N 2.76Å
248L86.4Confident72.9Confident8 Ų847.5 Ų47.54%0.04228%0.275CS..Hα-helixtrans-67.1-46.2-179.2-72.9160.9000111.8V151 L195 V197 V244 Q245 R250 F251 S252V151-L248 HydrophobicContact CG2-CB 4.47Å; V151-L248 HydrophobicContact CG2-CD1 3.37Å; L195-L248 HydrophobicContact CD2-CD1 3.61Å; L195-L248 HydrophobicContact CG-CD1 4.47Å; V197-L248 HydrophobicContact CG1-CD2 4.26Å; V197-L248 HydrophobicContact CG2-CD2 4.28Å; V244-L248 HydrophobicContact CG1-CD1 3.68Å; V244-L248 PolarHBondContact O-N 3.01Å; Q245-L248 PolarHBondContact O-N 3.15Å; L248-R250 PolarHBondContact O-N 2.81Å; L248-R250 VanDerWaalsContact O-N 3.08Å; L248-F251 CarbonylContact O-C 3.54Å; L248-F251 PolarHBondContact O-N 3.09Å; L248-S252 WeakPolarHBondContact O-CB 3.4Å; L248-S252 PolarHBondContact O-N 2.6Å; L248-S252 PolarHBondContact O-OG 2.87Å
249N84.1Confident70Confident55 Ų5554.2 Ų54.229%0.29431%0.312SS..Hα-helixtrans-56.1-32.9176.8-75.1-17.3000112.4Q245 S253Q245-N249 VanDerWaalsContact O-CB 3.25Å; Q245-N249 WeakPolarHBondContact O-CB 3.34Å; Q245-N249 PolarHBondContact O-N 3.16Å; Q245-N249 PolarHBondContact O-ND2 2.92Å; N249-S253 VanDerWaalsContact O-CB 3.3Å; N249-S253 WeakPolarHBondContact O-CB 3.35Å; N249-S253 PolarHBondContact O-N 3.31Å; N249-S253 PolarHBondContact O-OG 3Å
250R82.8Confident67.1Low75 Ų7559.3 Ų59.328%0.28335%0.346SS..Hα-helixtrans-65.1-44.6174.1-175.8-177.9-59.1141.43112.7N95 A96 Q246 V247 L248N95-R250 PolarHBondContact O-NH2 3.27Å; A96-R250 PolarHBondContact O-NE 3.37Å; A96-R250 PolarHBondContact O-NH1 3.22Å; Q246-R250 PolarHBondContact O-N 3.34Å; V247-R250 WeakPolarHBondContact O-CB 3.36Å; V247-R250 PolarHBondContact O-N 2.86Å; L248-R250 PolarHBondContact O-N 2.81Å; L248-R250 VanDerWaalsContact O-N 3.08Å
251F78.1Confident64.5Low35 Ų3565.2 Ų65.215%0.15438%0.382CS..Hα-helixtrans-89.4-20.6-173.9-67.2-70.3000113.1V197 Y199 P200 T205 V247 L248V197-F251 HydrophobicContact CG1-CB 4.15Å; V197-F251 HydrophobicContact CG1-CD2 3.44Å; V197-F251 VanDerWaalsContact CG1-CD2 3.44Å; V197-F251 HydrophobicContact CG1-CE2 4.11Å; V197-F251 HydrophobicContact CG1-CG 4.03Å; Y199-F251 AromaticContact CD1-CD1 3.87Å; Y199-F251 HydrophobicContact CD1-CD1 3.87Å; Y199-F251 AromaticContact CE1-CD1 3.5Å; Y199-F251 HydrophobicContact CE1-CD1 3.5Å; Y199-F251 AromaticContact CE1-CE1 3.73Å; Y199-F251 HydrophobicContact CE1-CE1 3.73Å; Y199-F251 AromaticContact CZ-CD1 4Å; Y199-F251 AromaticContact CZ-CE1 3.85Å; P200-F251 WeakPolarHBondContact CD-O 3.42Å; P200-F251 VanDerWaalsContact CG-O 3.25Å; P200-F251 WeakPolarHBondContact CG-O 3.27Å; T205-F251 HydrophobicContact CG2-CD1 3.71Å; T205-F251 HydrophobicContact CG2-CD2 4.19Å; T205-F251 HydrophobicContact CG2-CE1 3.84Å; T205-F251 HydrophobicContact CG2-CE2 4.31Å; T205-F251 HydrophobicContact CG2-CG 3.9Å; T205-F251 HydrophobicContact CG2-CZ 4.14Å; V247-F251 HydrophobicContact CG1-CD2 4.06Å; V247-F251 HydrophobicContact CG1-CE2 4.08Å; V247-F251 WeakPolarHBondContact O-CD2 3.47Å; V247-F251 PolarHBondContact O-N 2.76Å; L248-F251 CarbonylContact O-C 3.54Å; L248-F251 PolarHBondContact O-N 3.09Å
252S69.9Low62Low67 Ų6769.8 Ų69.847%0.46941%0.411SS..Hα-helixtrans-76.5-25.4170.2-55.10000112.3L248 A254L248-S252 WeakPolarHBondContact O-CB 3.4Å; L248-S252 PolarHBondContact O-N 2.6Å; L248-S252 PolarHBondContact O-OG 2.87Å; S252-A254 PolarHBondContact O-N 3.1Å; S252-A254 VanDerWaalsContact O-N 3.11Å
253S52.7Low59.4Low82 Ų8275.3 Ų75.357%0.57345%0.446SS*.  trans-80.489.1176.1-55.10000110.4N249N249-S253 VanDerWaalsContact O-CB 3.3Å; N249-S253 WeakPolarHBondContact O-CB 3.35Å; N249-S253 PolarHBondContact O-N 3.31Å; N249-S253 PolarHBondContact O-OG 3Å
254A41Very low56.8Low42 Ų4283 Ų8335%0.34749%0.485SS..  trans-58.3148.7147.600000108.1P200 S252 L256P200-A254 HydrophobicContact CG-CB 4.46Å; S252-A254 PolarHBondContact O-N 3.1Å; S252-A254 VanDerWaalsContact O-N 3.11Å; A254-L256 HydrophobicContact CB-CD2 4.44Å; A254-L256 HydrophobicContact CB-CG 4.25Å; A254-L256 PolarHBondContact O-N 3.19Å
255P37.2Very low54Low133 Ų13389.8 Ų89.886%0.86452%0.52SS*.  trans-64.688.2162.727.2-28.8000106.9I257P255-I257 PolarHBondContact O-N 2.88Å
256L31.2Very low51.4Low143 Ų14394.9 Ų94.975%0.74955%0.554SS**  trans-77.5106.4173.5-72169.6000106.4A254A254-L256 HydrophobicContact CB-CD2 4.44Å; A254-L256 HydrophobicContact CB-CG 4.25Å; A254-L256 PolarHBondContact O-N 3.19Å
257I34.3Very low48.8Very low147 Ų14799.8 Ų99.875%0.75459%0.586SS**SBendtrans105122.3161.7-52.7158.6000115.4P255P255-I257 PolarHBondContact O-N 2.88Å
258P35.7Very low46Very low117 Ų117107.2 Ų107.276%0.7662%0.624SS**PPolyproline II helixtrans-57.5131163.9-16.528.5000110.2
259L30.7Very low43.5Very low168 Ų168112.7 Ų112.788%0.8866%0.661SS**PPolyproline II helixtrans-50.3125.8175.4-72.8158.1000110.1T261L259-T261 PolarHBondContact O-N 2.85Å
260P32.2Very low41.1Very low113 Ų113119.4 Ų119.473%0.73469%0.69SS**PPolyproline II helixtrans-64.3128.7174.524.8-29.9000108.7
261T34.7Very low38.7Very low130 Ų130124.6 Ų124.680%0.79872%0.717SS**PPolyproline II helixtrans-51.9128.7170.235.10000110L259L259-T261 PolarHBondContact O-N 2.85Å
262P35.7Very low36.5Very low107 Ų107132.8 Ų132.870%0.69575%0.753SS**PPolyproline II helixtrans-62.4150.1172.726.6-32.2000110I264P262-I264 PolarHBondContact O-N 2.99Å
263P33Very low34.8Very low122 Ų122135.8 Ų135.879%0.79277%0.769SS**PPolyproline II helixtrans-62.7133-178.825.9-32000110.2I265P263-I265 PolarHBondContact O-N 3.33Å; P263-I265 VanDerWaalsContact O-N 3.11Å
264I35.5Very low33.9Very low163 Ų163135.4 Ų135.484%0.83676%0.764SS**  trans-66.4106.6-179.5-60.2167.2000108.3P262P262-I264 PolarHBondContact O-N 2.99Å
265I33.4Very low34.1Very low143 Ų143140 Ų14073%0.73379%0.79SS**  trans-76.4124.3158.8-58.6174.5000105.9P263 V267P263-I265 PolarHBondContact O-N 3.33Å; P263-I265 VanDerWaalsContact O-N 3.11Å; I265-V267 HydrophobicContact CG2-CG2 4.42Å; I265-V267 PolarHBondContact O-N 3.22Å
266P32.9Very low34.6Very low119 Ų119137.7 Ų137.777%0.77377%0.774SS**  trans-75.797.1-176.729.8-30.4000108.8
267V33.2Very low36Very low127 Ų127136.5 Ų136.577%0.7777%0.768SS**  trans-104.6133.5161.4-1750000107.9I265I265-V267 HydrophobicContact CG2-CG2 4.42Å; I265-V267 PolarHBondContact O-N 3.22Å
268L32Very low38.2Very low155 Ų155131.9 Ų131.981%0.81275%0.747SS**  trans-41.7158.1-174.3-93.592.6000116.2Q270L268-Q270 PolarHBondContact O-N 2.92Å
269P32.6Very low40.6Very low124 Ų124130 Ų13081%0.80573%0.725SS**  trans-75.3111.2-156.830.6-33.2000111.4
270Q33.6Very low43.5Very low196 Ų196122.8 Ų122.892%0.91669%0.687SS**  trans-104.1117.7152.5-78.9-164.1-31.700109.5L268L268-Q270 PolarHBondContact O-N 2.92Å
271Q32.5Very low46.3Very low183 Ų183117.5 Ų117.586%0.85565%0.653SS**  trans-21.8124.4-178.6-68.5164.1-4.800115.8V273Q271-V273 PolarHBondContact O-N 3.12Å
272F32.8Very low49.1Very low207 Ų207111.3 Ų111.391%0.90862%0.615SS**  trans-21.8114.7160.8-111-104.4000113.9
273V34.9Very low51.9Low131 Ų131107.8 Ų107.879%0.79459%0.588SS**  trans-127.5116.9151.3-167.40000107.3Q271Q271-V273 PolarHBondContact O-N 3.12Å
274P33.2Very low54.7Low74 Ų74102 Ų10248%0.48155%0.55SS..  trans-70.3151.2-178.829.6-34.7000111.2T276P274-T276 HydrophobicContact CB-CG2 4.4Å; P274-T276 HydrophobicContact CG-CG2 4.16Å; P274-T276 PolarHBondContact O-N 3.17Å; P274-T276 PolarHBondContact O-OG1 3.43Å
275P45.2Very low57.4Low137 Ų13798.5 Ų98.589%0.8953%0.526SS*.  trans-7594.217531.4-30.1000107.7
276T47.4Very low59.8Low86 Ų8692.5 Ų92.553%0.52850%0.5SS..  trans-107.1138176.5400000107.2P274 V278P274-T276 HydrophobicContact CB-CG2 4.4Å; P274-T276 HydrophobicContact CG-CG2 4.16Å; P274-T276 PolarHBondContact O-N 3.17Å; P274-T276 PolarHBondContact O-OG1 3.43Å; T276-V278 WeakPolarHBondContact O-CG2 3.44Å; T276-V278 PolarHBondContact O-N 2.7Å; T276-V278 WeakPolarHBondContact OG1-CG2 3.46Å
277N61.5Low62.5Low117 Ų11786.9 Ų86.963%0.62646%0.463SS*.  trans-72.763.7173.4-159.2-28.6000108.2R279N277-R279 PolarHBondContact O-N 3.17Å
278V78.7Confident65.1Low51 Ų5181.8 Ų81.831%0.30943%0.433SS..  trans-72.8118.4-169.7-172.40000108.2T276 D280 T333 S359T276-V278 WeakPolarHBondContact O-CG2 3.44Å; T276-V278 PolarHBondContact O-N 2.7Å; T276-V278 WeakPolarHBondContact OG1-CG2 3.46Å; V278-D280 VanDerWaalsContact C-N 3.26Å; V278-D280 HydrophobicContact CG1-CB 3.77Å; V278-D280 PolarHBondContact O-N 3.18Å; V278-T333 HydrophobicContact CB-CG2 4.37Å; V278-T333 HydrophobicContact CG1-CG2 3.13Å; V278-S359 WeakPolarHBondContact O-CA 3.39Å; V278-S359 WeakPolarHBondContact O-CB 3.27Å
279R87.2Confident67.6Low78 Ų7881.8 Ų81.829%0.29442%0.423SS..  trans-91.356.8174.9-66.1-169.8171.3-156.8-8.3110.9N277 C281 Q357 C358 G376N277-R279 PolarHBondContact O-N 3.17Å; R279-C281 VanDerWaalsContact C-N 3.28Å; R279-Q357 HydrophobicContact CB-CG 3.92Å; R279-Q357 WeakPolarHBondContact O-CG 3.42Å; R279-Q357 PolarHBondContact O-NE2 3.38Å; R279-C358 CarbonylContact C-O 3.52Å; R279-C358 VanDerWaalsContact CA-O 3.27Å; R279-C358 WeakPolarHBondContact CA-O 3.44Å; R279-G376 PolarHBondContact NH1-O 3.4Å
280D90.9Very high70Confident16 Ų1679.7 Ų79.79%0.08642%0.417CS..  trans-89.912.2177.867.3-16.6000113.1V278 R308 M330 T333V278-D280 VanDerWaalsContact C-N 3.26Å; V278-D280 HydrophobicContact CG1-CB 3.77Å; V278-D280 PolarHBondContact O-N 3.18Å; D280-R308 IonicContact OD2-CZ 3.83Å; D280-R308 IonicContact OD2-NH2 2.8Å; D280-R308 PolarHBondContact OD2-NH2 3.31Å; D280-M330 WeakPolarHBondContact O-CA 3.42Å; D280-M330 WeakPolarHBondContact O-CB 3.46Å; D280-M330 PolarHBondContact O-N 3.19Å; D280-T333 HydrophobicContact CB-CG2 4.07Å
281C91.5Very high72.5Confident1 Ų170.9 Ų70.91%0.00738%0.377CS..EExtended strand (participates in β ladder)trans-113.4158.4177.6-63.40000111.6R279 I328 C358 M363R279-C281 VanDerWaalsContact C-N 3.28Å; C281-I328 CarbonylContact C-O 3.51Å; C281-I328 VanDerWaalsContact CA-O 3.24Å; C281-I328 WeakPolarHBondContact CA-O 3.38Å; C281-C358 CarbonylContact C-O 3.59Å; C281-C358 WeakPolarHBondContact CA-O 3.31Å; C281-C358 WeakPolarHBondContact CB-O 3.5Å; C281-C358 VanDerWaalsContact CB-SG 3.55Å; C281-C358 PolarHBondContact N-O 3.34Å; C281-C358 PolarHBondContact O-N 2.9Å; C281-M363 HydrophobicContact CB-CE 3.82Å
282I94Very high75.1Confident0 Ų064.9 Ų64.90%035%0.353CS..EExtended strand (participates in β ladder)trans-129.8135.6175.9-52.9176.4000109.4L284 F327 I328 M330 A336 A339 V355 F356I282-L284 HydrophobicContact CG2-CD2 4.33Å; I282-F327 CarbonylContact O-C 3.6Å; I282-F327 WeakPolarHBondContact O-CA 3.31Å; I282-I328 PolarHBondContact N-O 3.34Å; I282-I328 PolarHBondContact O-N 3.49Å; I282-M330 HydrophobicContact CD1-CG 3.9Å; I282-M330 HydrophobicContact CD1-SD 3.94Å; I282-M330 HydrophobicContact CG1-CG 4Å; I282-A336 HydrophobicContact CD1-CB 4.4Å; I282-A336 HydrophobicContact CG1-CB 3.9Å; I282-A339 HydrophobicContact CD1-CB 3.41Å; I282-A339 VanDerWaalsContact CD1-CB 3.41Å; I282-V355 HydrophobicContact CG2-CG1 3.17Å; I282-F356 CarbonylContact C-O 3.57Å; I282-F356 WeakPolarHBondContact CA-O 3.42Å; I282-F356 WeakPolarHBondContact CG2-O 3.32Å
283R93.4Very high77.7Confident34 Ų3457.1 Ų57.113%0.12832%0.321CS..EExtended strand (participates in β ladder)trans-99.9124.9168.4-175.7-178.9177.3-174.40.5110.1D325 A326 F327 V355 F356R283-D325 IonicContact CZ-OD2 2.6Å; R283-D325 IonicContact NE-OD2 3.82Å; R283-D325 IonicContact NH2-OD2 2.63Å; R283-D325 PolarHBondContact NH2-OD2 2.9Å; R283-A326 CarbonylContact C-O 3.57Å; R283-A326 WeakPolarHBondContact CA-O 3.37Å; R283-F327 HydrophobicContact CB-CD1 3.88Å; R283-F327 HydrophobicContact CB-CE1 3.67Å; R283-F327 HydrophobicContact CB-CZ 4.34Å; R283-F327 HydrophobicContact CG-CD1 4.1Å; R283-F327 HydrophobicContact CG-CE1 3.64Å; R283-F327 HydrophobicContact CG-CE2 4.38Å; R283-F327 HydrophobicContact CG-CZ 3.78Å; R283-V355 WeakPolarHBondContact O-CA 3.39Å; R283-F356 PolarHBondContact N-O 3.24Å; R283-F356 PolarHBondContact O-N 3.13Å
284L93.2Very high80.2Confident0 Ų056.1 Ų56.10%031%0.307CS..EExtended strand (participates in β ladder)trans-96.6129.3167.3-57.5-175.5000109.2I282 L287 I296 F299 D325 A326 I328 V353 V355I282-L284 HydrophobicContact CG2-CD2 4.33Å; L284-L287 HydrophobicContact CB-CD1 3.97Å; L284-L287 HydrophobicContact CB-CD2 4.17Å; L284-L287 HydrophobicContact CB-CG 4.06Å; L284-L287 HydrophobicContact CD1-CD1 4.31Å; L284-L287 HydrophobicContact CD1-CD2 4.1Å; L284-I296 HydrophobicContact CD1-CG1 4.45Å; L284-I296 HydrophobicContact CD1-CG2 3.75Å; L284-F299 HydrophobicContact CD2-CE1 4.3Å; L284-D325 CarbonylContact O-C 3.5Å; L284-D325 VanDerWaalsContact O-CA 3.28Å; L284-D325 WeakPolarHBondContact O-CA 3.49Å; L284-A326 HydrophobicContact CB-CB 4.4Å; L284-A326 PolarHBondContact N-O 2.92Å; L284-A326 PolarHBondContact O-N 2.89Å; L284-I328 HydrophobicContact CD1-CD1 3.52Å; L284-I328 HydrophobicContact CG-CD1 3.97Å; L284-V353 HydrophobicContact CB-CG1 4.17Å; L284-V353 HydrophobicContact CD2-CG1 4.17Å; L284-V355 HydrophobicContact CD2-CB 4.14Å; L284-V355 HydrophobicContact CD2-CG1 3.72Å; L284-V355 HydrophobicContact CD2-CG2 3.58Å
285R90.4Very high82.9Confident89 Ų8954 Ų5434%0.33629%0.292SS..EExtended strand (participates in β ladder)trans-126.9140.2176176.3176.1-169.4-164.22.5109.5D325 V353 E354 F356R285-D325 WeakPolarHBondContact CG-OD1 3.35Å; R285-V353 CarbonylContact O-C 3.58Å; R285-V353 WeakPolarHBondContact O-CA 3.36Å; R285-E354 HydrophobicContact CB-CB 4.3Å; R285-E354 PolarHBondContact N-O 2.84Å; R285-E354 IonicContact NH1-OE2 3.85Å; R285-E354 PolarHBondContact O-N 3.06Å; R285-F356 HydrophobicContact CB-CE2 4.5Å
286G85.8Confident85.1Confident18 Ų1847.5 Ų47.519%0.18625%0.25CC..SBendtrans89.319.3-179.500000113.6G324 R351G286-G324 PolarHBondContact N-O 3.34Å; G286-R351 VanDerWaalsContact O-CZ 3.26Å; G286-R351 PolarHBondContact O-NE 3.46Å; G286-R351 PolarHBondContact O-NH2 2.82Å
287L89.3Confident87.1Confident1 Ų146.3 Ų46.31%0.00524%0.24CC..  trans-65132.9172.9-64.7176.5000111.1L284 A291 I296 G324 A326 M348 R351 V353L284-L287 HydrophobicContact CB-CD1 3.97Å; L284-L287 HydrophobicContact CB-CD2 4.17Å; L284-L287 HydrophobicContact CB-CG 4.06Å; L284-L287 HydrophobicContact CD1-CD1 4.31Å; L284-L287 HydrophobicContact CD1-CD2 4.1Å; L287-A291 HydrophobicContact CB-CB 4.34Å; L287-I296 HydrophobicContact CD1-CD1 3.83Å; L287-I296 HydrophobicContact CD1-CG1 4.21Å; L287-I296 HydrophobicContact CD2-CG1 4.42Å; L287-G324 PolarHBondContact N-O 3.41Å; L287-G324 WeakPolarHBondContact O-CA 3.3Å; L287-A326 HydrophobicContact CD1-CB 3.45Å; L287-A326 VanDerWaalsContact CD1-CB 3.45Å; L287-M348 HydrophobicContact CD2-CE 3.57Å; L287-M348 HydrophobicContact CD2-SD 3.63Å; L287-R351 VanDerWaalsContact C-NH2 3.28Å; L287-R351 PolarHBondContact O-NH2 3.2Å; L287-V353 HydrophobicContact CD2-CG1 3.97Å; L287-V353 HydrophobicContact CD2-CG2 4.03Å
288P87.1Confident88.5Confident20 Ų2047 Ų4713%0.1324%0.243CC..  trans-48.5142.7173.6-2531.9000111.7A290 A291 M348 K349 R351P288-A290 PolarHBondContact O-N 3.45Å; P288-A290 VanDerWaalsContact O-N 3.09Å; P288-A291 HydrophobicContact CB-CB 4.28Å; P288-A291 WeakPolarHBondContact O-CB 3.37Å; P288-A291 PolarHBondContact O-N 3.48Å; P288-M348 HydrophobicContact CG-CG 4.43Å; P288-M348 HydrophobicContact CG-SD 4.35Å; P288-K349 HydrophobicContact CG-CB 4.5Å; P288-R351 HydrophobicContact CG-CB 4.36Å; P288-R351 HydrophobicContact CG-CG 4.23Å
289Y83.8Confident89.1Confident154 Ų15445.6 Ų45.660%0.60423%0.233SC*.THydrogen-bonded Turntrans-64.8-17.2-178-62.9-54000113.9P322Y289-P322 WeakPolarHBondContact CD1-O 3.5Å; Y289-P322 WeakPolarHBondContact O-CG 3.22Å
290A84.2Confident89.2Confident81 Ų8141.9 Ų41.967%0.66922%0.219SC*.THydrogen-bonded Turntrans-96.98.5173.200000113.2P288P288-A290 PolarHBondContact O-N 3.45Å; P288-A290 VanDerWaalsContact O-N 3.09Å
291A85.8Confident89.2Confident11 Ų1142.5 Ų42.59%0.09123%0.229CC..  trans-69.9130.3-178.800000111.4L287 P288 D295 M348L287-A291 HydrophobicContact CB-CB 4.34Å; P288-A291 HydrophobicContact CB-CB 4.28Å; P288-A291 WeakPolarHBondContact O-CB 3.37Å; P288-A291 PolarHBondContact O-N 3.48Å; A291-D295 WeakPolarHBondContact CA-OD2 3.05Å; A291-M348 HydrophobicContact CB-SD 4.17Å
292T87.9Confident89.1Confident57 Ų5748 Ų4835%0.3526%0.255SS..  trans-95.8172.5178.259.20000111.5E294 D295 I296T292-E294 VanDerWaalsContact C-N 3.28Å; T292-E294 WeakPolarHBondContact CB-OE2 3.49Å; T292-E294 PolarHBondContact OG1-OE2 3.27Å; T292-D295 PolarHBondContact N-OD2 3.46Å; T292-D295 PolarHBondContact O-N 3.47Å; T292-D295 PolarHBondContact OG1-N 3.34Å; T292-D295 PolarHBondContact OG1-OD2 3.4Å; T292-I296 WeakPolarHBondContact O-CG1 3.43Å; T292-I296 PolarHBondContact O-N 3.11Å
293I86.5Confident88.9Confident43 Ų4348.4 Ų48.422%0.22126%0.257CS..Hα-helixtrans-64-38.3172.2-61.5174.7000109.8D295 I296 L297 V312I293-D295 VanDerWaalsContact C-N 3.34Å; I293-D295 PolarHBondContact O-N 3.47Å; I293-I296 WeakPolarHBondContact O-CB 3.48Å; I293-I296 PolarHBondContact O-N 3.3Å; I293-I296 VanDerWaalsContact O-N 3.16Å; I293-L297 HydrophobicContact CG2-CD1 4.28Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CG 3.18Å; I293-L297 PolarHBondContact O-N 3.48Å; I293-V312 HydrophobicContact CG2-CB 4.49Å; I293-V312 HydrophobicContact CG2-CG1 4.44Å
294E88.3Confident88.6Confident111 Ų11148.6 Ų48.652%0.51926%0.263SS..Hα-helixtrans-59.1-44.8175.8-64.7100.6-175.800111.7T292 I296 L297 D298T292-E294 VanDerWaalsContact C-N 3.28Å; T292-E294 WeakPolarHBondContact CB-OE2 3.49Å; T292-E294 PolarHBondContact OG1-OE2 3.27Å; E294-I296 PolarHBondContact O-N 3.04Å; E294-L297 PolarHBondContact O-N 3.25Å; E294-L297 VanDerWaalsContact O-N 3.12Å; E294-D298 PolarHBondContact O-N 3.02Å
295D89.4Confident88.2Confident30 Ų3053.1 Ų53.116%0.1629%0.291CS..Hα-helixtrans-58-35.5177.6-67-53000112.5A291 T292 I293 F299 M348 K349A291-D295 WeakPolarHBondContact CA-OD2 3.05Å; T292-D295 PolarHBondContact N-OD2 3.46Å; T292-D295 PolarHBondContact O-N 3.47Å; T292-D295 PolarHBondContact OG1-N 3.34Å; T292-D295 PolarHBondContact OG1-OD2 3.4Å; I293-D295 VanDerWaalsContact C-N 3.34Å; I293-D295 PolarHBondContact O-N 3.47Å; D295-F299 VanDerWaalsContact O-CB 3.25Å; D295-F299 WeakPolarHBondContact O-CB 3.29Å; D295-F299 PolarHBondContact O-N 2.62Å; D295-M348 HydrophobicContact CB-SD 4.47Å; D295-M348 WeakPolarHBondContact O-CE 3.31Å; D295-K349 WeakPolarHBondContact OD1-CE 3.43Å; D295-K349 IonicContact OD1-NZ 2.74Å; D295-K349 PolarHBondContact OD1-NZ 3.42Å; D295-K349 IonicContact OD2-NZ 2.8Å; D295-K349 PolarHBondContact OD2-NZ 3.35Å
296I91.2Very high88.2Confident0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-72.5-40.5179-67.5169.3000111.1L284 L287 T292 I293 E294 F299 L300 V312 M314 A326 I328 M348L284-I296 HydrophobicContact CD1-CG1 4.45Å; L284-I296 HydrophobicContact CD1-CG2 3.75Å; L287-I296 HydrophobicContact CD1-CD1 3.83Å; L287-I296 HydrophobicContact CD1-CG1 4.21Å; L287-I296 HydrophobicContact CD2-CG1 4.42Å; T292-I296 WeakPolarHBondContact O-CG1 3.43Å; T292-I296 PolarHBondContact O-N 3.11Å; I293-I296 WeakPolarHBondContact O-CB 3.48Å; I293-I296 PolarHBondContact O-N 3.3Å; I293-I296 VanDerWaalsContact O-N 3.16Å; E294-I296 PolarHBondContact O-N 3.04Å; I296-F299 PolarHBondContact O-N 3.15Å; I296-L300 HydrophobicContact CG2-CD1 4.46Å; I296-L300 PolarHBondContact O-N 3.48Å; I296-V312 HydrophobicContact CD1-CG1 4.29Å; I296-M314 HydrophobicContact CD1-CE 4.13Å; I296-M314 HydrophobicContact CD1-SD 3.43Å; I296-M314 WeakPolarHBondContact CD1-SD 3.41Å; I296-A326 HydrophobicContact CD1-CB 4.21Å; I296-I328 HydrophobicContact CG2-CD1 3.55Å; I296-M348 HydrophobicContact CG1-CE 4.25Å
297L90.1Very high88.3Confident60 Ų6050.7 Ų50.731%0.31428%0.28SS..Hα-helixtrans-64.7-45176.6-64.8175.1000110.7I293 E294 F299 L300 G301 I307I293-L297 HydrophobicContact CG2-CD1 4.28Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CG 3.18Å; I293-L297 PolarHBondContact O-N 3.48Å; E294-L297 PolarHBondContact O-N 3.25Å; E294-L297 VanDerWaalsContact O-N 3.12Å; L297-F299 VanDerWaalsContact C-N 3.34Å; L297-F299 PolarHBondContact O-N 3.37Å; L297-L300 PolarHBondContact O-N 3.16Å; L297-G301 PolarHBondContact O-N 3.4Å; L297-I307 HydrophobicContact CD2-CD1 3.65Å
298D90.1Very high88.2Confident131 Ų13155.8 Ų55.870%0.70130%0.3SS*.Hα-helixtrans-62.2-41.5175.6-73.8-13.6000111.5E294 L300 G301E294-D298 PolarHBondContact O-N 3.02Å; D298-L300 PolarHBondContact O-N 3.07Å; D298-G301 PolarHBondContact O-N 3Å
299F91.5Very high87.7Confident22 Ų2260.9 Ų60.910%0.09633%0.331CS..Hα-helixtrans-63.9-37177172.8-98000113.2L284 D295 I296 L297 G301 Y343 K346 M348 V353 V355L284-F299 HydrophobicContact CD2-CE1 4.3Å; D295-F299 VanDerWaalsContact O-CB 3.25Å; D295-F299 WeakPolarHBondContact O-CB 3.29Å; D295-F299 PolarHBondContact O-N 2.62Å; I296-F299 PolarHBondContact O-N 3.15Å; L297-F299 VanDerWaalsContact C-N 3.34Å; L297-F299 PolarHBondContact O-N 3.37Å; F299-G301 VanDerWaalsContact C-N 3.34Å; F299-Y343 HydrophobicContact CE1-CD1 4.22Å; F299-Y343 HydrophobicContact CE1-CG 4.3Å; F299-Y343 HydrophobicContact CE2-CD1 4.4Å; F299-Y343 HydrophobicContact CZ-CD1 4.16Å; F299-Y343 HydrophobicContact CZ-CG 4.45Å; F299-Y343 WeakPolarHBondContact O-CD1 3.29Å; F299-Y343 WeakPolarHBondContact O-CE1 3.31Å; F299-K346 HydrophobicContact CE2-CB 3.8Å; F299-K346 HydrophobicContact CZ-CB 4.1Å; F299-M348 HydrophobicContact CB-CE 3.24Å; F299-M348 HydrophobicContact CD1-CE 3.95Å; F299-M348 HydrophobicContact CD2-CB 3.9Å; F299-M348 HydrophobicContact CD2-CE 3.96Å; F299-M348 HydrophobicContact CD2-CG 4.44Å; F299-M348 HydrophobicContact CE2-CB 4.21Å; F299-M348 HydrophobicContact CG-CE 3.46Å; F299-M348 VanDerWaalsContact CG-CE 3.46Å; F299-V353 HydrophobicContact CE1-CB 4.35Å; F299-V353 HydrophobicContact CE1-CG1 4.18Å; F299-V353 HydrophobicContact CE2-CB 4.24Å; F299-V353 HydrophobicContact CE2-CG2 4.28Å; F299-V353 HydrophobicContact CZ-CB 3.77Å; F299-V353 HydrophobicContact CZ-CG1 4.09Å; F299-V353 HydrophobicContact CZ-CG2 4.24Å; F299-V355 HydrophobicContact CE1-CG2 4.12Å; F299-V355 HydrophobicContact CZ-CG2 4.31Å
300L90.1Very high87.5Confident0 Ų058.4 Ų58.40%032%0.324CS..Hα-helixtrans-79.8-16.5177.2-72.1-179.7000113.4I296 L297 D298 E302 F303 I307 I328 Y343I296-L300 HydrophobicContact CG2-CD1 4.46Å; I296-L300 PolarHBondContact O-N 3.48Å; L297-L300 PolarHBondContact O-N 3.16Å; D298-L300 PolarHBondContact O-N 3.07Å; L300-E302 PolarHBondContact O-N 3.47Å; L300-F303 HydrophobicContact CB-CB 4.48Å; L300-F303 PolarHBondContact O-N 2.91Å; L300-F303 VanDerWaalsContact O-N 3.09Å; L300-I307 HydrophobicContact CD1-CD1 3.82Å; L300-I328 HydrophobicContact CD1-CD1 3.4Å; L300-I328 VanDerWaalsContact CD1-CD1 3.4Å; L300-I328 HydrophobicContact CD1-CG2 4.4Å; L300-I328 HydrophobicContact CG-CD1 4.46Å; L300-Y343 HydrophobicContact CD2-CD2 4.3Å; L300-Y343 HydrophobicContact CD2-CG 4.46Å; L300-Y343 WeakPolarHBondContact O-CE2 3.37Å; L300-Y343 PolarHBondContact O-OH 3.48Å
301G89.6Confident87.4Confident29 Ų2954.7 Ų54.730%0.29929%0.293SS..G310 helixtrans53.9-121.7174.500000111.9L297 D298 F299 F303 S304L297-G301 PolarHBondContact O-N 3.4Å; D298-G301 PolarHBondContact O-N 3Å; F299-G301 VanDerWaalsContact C-N 3.34Å; G301-F303 PolarHBondContact O-N 2.88Å; G301-S304 VanDerWaalsContact O-CB 3.26Å; G301-S304 WeakPolarHBondContact O-CB 3.29Å; G301-S304 PolarHBondContact O-N 2.98Å; G301-S304 PolarHBondContact O-OG 3.47Å
302E88.8Confident87.5Confident117 Ų11754.8 Ų54.855%0.54729%0.293SS..G310 helixtrans-58-20.4-179.470.8-172.1178.800114.9L300 S304 T305 K342L300-E302 PolarHBondContact O-N 3.47Å; E302-S304 VanDerWaalsContact C-N 3.33Å; E302-T305 PolarHBondContact O-OG1 2.75Å; E302-T305 VanDerWaalsContact O-OG1 3.1Å; E302-K342 IonicContact OE1-NZ 2.59Å; E302-K342 PolarHBondContact OE1-NZ 3.04Å; E302-K342 IonicContact OE2-NZ 3.92Å
303F90Very high87.4Confident8 Ų854.4 Ų54.44%0.03529%0.287CS..G310 helixtrans-84.8-9.4178.4-64.4-92.4000112.6L300 G301 T305 D306 M330 M338 A339 K342 Y343L300-F303 HydrophobicContact CB-CB 4.48Å; L300-F303 PolarHBondContact O-N 2.91Å; L300-F303 VanDerWaalsContact O-N 3.09Å; G301-F303 PolarHBondContact O-N 2.88Å; F303-T305 VanDerWaalsContact C-N 3.25Å; F303-T305 PolarHBondContact O-N 3.09Å; F303-D306 PolarHBondContact O-N 3.28Å; F303-D306 VanDerWaalsContact O-N 3.13Å; F303-M330 HydrophobicContact CB-CE 4.15Å; F303-M330 WeakPolarHBondContact O-CE 3.41Å; F303-M338 HydrophobicContact CE1-CB 3.67Å; F303-M338 HydrophobicContact CZ-CB 3.99Å; F303-A339 HydrophobicContact CB-CB 4.08Å; F303-A339 HydrophobicContact CD1-CB 3.68Å; F303-A339 HydrophobicContact CD2-CB 4.37Å; F303-A339 HydrophobicContact CE1-CB 4.18Å; F303-A339 HydrophobicContact CG-CB 3.76Å; F303-K342 HydrophobicContact CE2-CD 3.68Å; F303-K342 HydrophobicContact CZ-CD 4.21Å; F303-Y343 HydrophobicContact CD2-CD2 4.38Å; F303-Y343 AromaticContact CD2-CE2 3.52Å; F303-Y343 HydrophobicContact CD2-CE2 3.52Å; F303-Y343 AromaticContact CE2-CE2 3.8Å; F303-Y343 HydrophobicContact CE2-CE2 3.8Å
304S87.6Confident87.4Confident38 Ų3854.2 Ų54.227%0.26629%0.286SS..G310 helixtrans-63.4-30.9178.163.60000112.7G301 E302 D306 I307G301-S304 VanDerWaalsContact O-CB 3.26Å; G301-S304 WeakPolarHBondContact O-CB 3.29Å; G301-S304 PolarHBondContact O-N 2.98Å; G301-S304 PolarHBondContact O-OG 3.47Å; E302-S304 VanDerWaalsContact C-N 3.33Å; S304-D306 PolarHBondContact O-N 3.37Å; S304-I307 WeakPolarHBondContact O-CB 3.4Å; S304-I307 WeakPolarHBondContact O-CG1 3.21Å; S304-I307 PolarHBondContact O-N 2.92Å
305T85.9Confident87.1Confident96 Ų9650 Ų5059%0.58927%0.267SS*.G310 helixtrans-68.3-21.4176.452.60000113.1E302 F303 K331E302-T305 PolarHBondContact O-OG1 2.75Å; E302-T305 VanDerWaalsContact O-OG1 3.1Å; F303-T305 VanDerWaalsContact C-N 3.25Å; F303-T305 PolarHBondContact O-N 3.09Å; T305-K331 PolarHBondContact O-NZ 3.23Å
306D88.6Confident86.6Confident39 Ų3952.3 Ų52.321%0.20928%0.28CS..G310 helixtrans-91.32.4179.7-66.6-53.7000113.1F303 S304 M330 K331 R335F303-D306 PolarHBondContact O-N 3.28Å; F303-D306 VanDerWaalsContact O-N 3.13Å; S304-D306 PolarHBondContact O-N 3.37Å; D306-M330 HydrophobicContact CB-CE 3.73Å; D306-M330 CarbonylContact O-C 3.52Å; D306-M330 WeakPolarHBondContact O-CA 3.45Å; D306-K331 WeakPolarHBondContact O-CB 3.38Å; D306-K331 VanDerWaalsContact O-CG 3.31Å; D306-K331 WeakPolarHBondContact O-CG 3.46Å; D306-K331 PolarHBondContact O-N 3.23Å; D306-R335 HydrophobicContact CB-CB 4.19Å; D306-R335 HydrophobicContact CB-CG 4.22Å; D306-R335 VanDerWaalsContact OD2-CD 3.31Å; D306-R335 WeakPolarHBondContact OD2-CD 3.48Å
307I89.4Confident85.9Confident16 Ų1655.1 Ų55.18%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-77.2139.7174.5-57174000109L297 L300 S304 V312 I328 M330 K331L297-I307 HydrophobicContact CD2-CD1 3.65Å; L300-I307 HydrophobicContact CD1-CD1 3.82Å; S304-I307 WeakPolarHBondContact O-CB 3.4Å; S304-I307 WeakPolarHBondContact O-CG1 3.21Å; S304-I307 PolarHBondContact O-N 2.92Å; I307-V312 HydrophobicContact CD1-CG2 4.45Å; I307-V312 HydrophobicContact CG2-CG2 4.14Å; I307-I328 HydrophobicContact CB-CG2 4.38Å; I307-I328 HydrophobicContact CD1-CG2 3.79Å; I307-I328 HydrophobicContact CG1-CG2 3.71Å; I307-I328 HydrophobicContact CG2-CG2 3.81Å; I307-M330 HydrophobicContact CG1-CE 4.5Å; I307-M330 HydrophobicContact CG1-SD 3.87Å; I307-K331 VanDerWaalsContact O-CE 3.28Å; I307-K331 WeakPolarHBondContact O-CE 3.22Å
308R86.1Confident85Confident109 Ų10962.2 Ų62.241%0.41133%0.325SS..EExtended strand (participates in β ladder)trans-64.7151.8173.3-64.7-167.1-174.5-1595.5110.3D280 H310 G311 Q329 M330 K331D280-R308 IonicContact OD2-CZ 3.83Å; D280-R308 IonicContact OD2-NH2 2.8Å; D280-R308 PolarHBondContact OD2-NH2 3.31Å; R308-H310 PolarHBondContact O-N 3.28Å; R308-G311 WeakPolarHBondContact O-CA 3.47Å; R308-G311 PolarHBondContact O-N 2.83Å; R308-Q329 HydrophobicContact CB-CB 4.32Å; R308-Q329 HydrophobicContact CG-CB 4.33Å; R308-Q329 PolarHBondContact N-O 3.42Å; R308-M330 PolarHBondContact NE-O 3.46Å; R308-M330 VanDerWaalsContact NE-O 3.15Å; R308-K331 HydrophobicContact CG-CG 4.07Å
309T77.3Confident84Confident127 Ų12763 Ų6378%0.77933%0.325SS*.EExtended strand (participates in β ladder)trans-55.9125.9171.349.90000109.2G311T309-G311 PolarHBondContact O-N 3.36Å
310H78.4Confident82.9Confident102 Ų10264.3 Ų64.347%0.47235%0.345SS..EExtended strand (participates in β ladder)trans62.822-172.9-48.6-64.8000116.4R308 V312 Y436R308-H310 PolarHBondContact O-N 3.28Å; H310-V312 VanDerWaalsContact C-N 3.31Å; H310-V312 PolarHBondContact O-N 3.43Å; H310-Y436 VanDerWaalsContact C-OH 3.29Å; H310-Y436 VanDerWaalsContact CA-CZ 3.47Å; H310-Y436 VanDerWaalsContact CA-OH 3.22Å; H310-Y436 WeakPolarHBondContact CA-OH 3.14Å; H310-Y436 HydrophobicContact CB-CE1 4.47Å; H310-Y436 HydrophobicContact CB-CE2 3.96Å; H310-Y436 AromaticContact CE1-CD1 3.94Å; H310-Y436 AromaticContact CE1-CD2 3.73Å; H310-Y436 AromaticContact CE1-CG 3.57Å; H310-Y436 AromaticContact CG-CE2 3.94Å; H310-Y436 AromaticContact ND1-CD1 3.41Å; H310-Y436 WeakPolarHBondContact ND1-CD1 3.46Å; H310-Y436 AromaticContact ND1-CD2 3.06Å; H310-Y436 WeakPolarHBondContact ND1-CD2 3.3Å; H310-Y436 AromaticContact ND1-CE1 3.54Å; H310-Y436 AromaticContact ND1-CE2 3.19Å; H310-Y436 WeakPolarHBondContact ND1-CE2 3.32Å; H310-Y436 AromaticContact ND1-CG 3.19Å; H310-Y436 AromaticContact ND1-CZ 3.46Å; H310-Y436 PolarHBondContact O-OH 3.06Å
311G82.5Confident82.3Confident2 Ų272.2 Ų72.22%0.02138%0.375CS..EExtended strand (participates in β ladder)trans-79.30.6-17400000116.1R308 T309 H313 I328 Q329R308-G311 WeakPolarHBondContact O-CA 3.47Å; R308-G311 PolarHBondContact O-N 2.83Å; T309-G311 PolarHBondContact O-N 3.36Å; G311-H313 PolarHBondContact O-CD2 3.31Å; G311-I328 CarbonylContact O-C 3.5Å; G311-I328 VanDerWaalsContact O-CA 3.27Å; G311-I328 WeakPolarHBondContact O-CA 3.4Å; G311-Q329 PolarHBondContact O-N 3.19Å
312V88.1Confident81.9Confident14 Ų1473 Ų739%0.08537%0.374CS..EExtended strand (participates in β ladder)trans-97.9123.2179.2-176.50000110I293 I296 I307 H310 Y436I293-V312 HydrophobicContact CG2-CB 4.49Å; I293-V312 HydrophobicContact CG2-CG1 4.44Å; I296-V312 HydrophobicContact CD1-CG1 4.29Å; I307-V312 HydrophobicContact CD1-CG2 4.45Å; I307-V312 HydrophobicContact CG2-CG2 4.14Å; H310-V312 VanDerWaalsContact C-N 3.31Å; H310-V312 PolarHBondContact O-N 3.43Å; V312-Y436 PolarHBondContact O-OH 3.19Å
313H86.8Confident81.5Confident48 Ų4869.9 Ų69.922%0.22237%0.365CS..EExtended strand (participates in β ladder)trans-123110.1-177.7-54.9-83.2000110.5G311 A326 F327 Q329 L367G311-H313 PolarHBondContact O-CD2 3.31Å; H313-A326 CarbonylContact O-C 3.56Å; H313-A326 VanDerWaalsContact O-CA 3.29Å; H313-A326 WeakPolarHBondContact O-CA 3.42Å; H313-F327 HydrophobicContact CB-CB 4.32Å; H313-F327 PolarHBondContact N-O 3.34Å; H313-F327 PolarHBondContact O-N 2.9Å; H313-Q329 PolarHBondContact NE2-NE2 3.25Å; H313-L367 HydrophobicContact CB-CD1 4.12Å; H313-L367 HydrophobicContact CB-CD2 4.15Å
314M86.2Confident81.2Confident40 Ų4069.6 Ų69.620%0.19737%0.365CS..EExtended strand (participates in β ladder)trans-82.4132.2176.2-63-61.8-78.100110.5I296 A326I296-M314 HydrophobicContact CD1-CE 4.13Å; I296-M314 HydrophobicContact CD1-SD 3.43Å; I296-M314 WeakPolarHBondContact CD1-SD 3.41Å; M314-A326 HydrophobicContact SD-CB 3.67Å
315V82.4Confident81.3Confident21 Ų2168.9 Ų68.913%0.12736%0.358CS..EExtended strand (participates in β ladder)trans-87.6121.3176.4-175.40000109.2S323 D325 F327V315-S323 VanDerWaalsContact O-CB 3.28Å; V315-S323 WeakPolarHBondContact O-CB 3.5Å; V315-S323 PolarHBondContact O-N 3.27Å; V315-D325 HydrophobicContact CB-CB 4.01Å; V315-D325 WeakPolarHBondContact CB-O 3.28Å; V315-D325 HydrophobicContact CG2-CB 3.98Å; V315-D325 PolarHBondContact N-O 2.87Å; V315-F327 HydrophobicContact CG2-CD2 3.73Å; V315-F327 HydrophobicContact CG2-CE2 3.71Å
316L78.9Confident81.6Confident80 Ų8064.3 Ų64.342%0.41933%0.33SS..EExtended strand (participates in β ladder)trans-99147.2175.7-56.2179.7000110.6R321 P322L316-R321 CarbonylContact C-O 3.52Å; L316-R321 WeakPolarHBondContact CA-O 3.32Å; L316-P322 HydrophobicContact CD2-CB 4.49Å
317N75Confident81.8Confident59 Ų5962.4 Ų62.432%0.31632%0.32SS..PPolyproline II helixtrans-77.8173.817175.16.3000110.9Q319 G320 R321N317-Q319 PolarHBondContact O-N 3.02Å; N317-Q319 VanDerWaalsContact OD1-C 3.28Å; N317-Q319 VanDerWaalsContact OD1-CA 3.3Å; N317-Q319 WeakPolarHBondContact OD1-CA 3.39Å; N317-Q319 WeakPolarHBondContact OD1-CB 3.41Å; N317-Q319 PolarHBondContact OD1-N 3.4Å; N317-G320 PolarHBondContact O-N 3.34Å; N317-G320 PolarHBondContact OD1-N 2.71Å; N317-G320 VanDerWaalsContact OD1-N 3.09Å; N317-R321 PolarHBondContact N-O 2.88Å; N317-R321 PolarHBondContact OD1-N 3.23Å; N317-R321 PolarHBondContact OD1-O 2.94Å
318H72.8Confident82Confident208 Ų20861.7 Ų61.796%0.96332%0.316SS*.THydrogen-bonded Turntrans-61.7-11.1178.2-56.1147.8000114.7
319Q68.2Low82.2Confident148 Ų14859.1 Ų59.169%0.69231%0.309SS*.THydrogen-bonded Turntrans-99.27.6174.7-60177.9-13.800112.2N317 R321N317-Q319 PolarHBondContact O-N 3.02Å; N317-Q319 VanDerWaalsContact OD1-C 3.28Å; N317-Q319 VanDerWaalsContact OD1-CA 3.3Å; N317-Q319 WeakPolarHBondContact OD1-CA 3.39Å; N317-Q319 WeakPolarHBondContact OD1-CB 3.41Å; N317-Q319 PolarHBondContact OD1-N 3.4Å; Q319-R321 VanDerWaalsContact C-N 3.3Å; Q319-R321 PolarHBondContact O-N 3.03Å
320G69.2Low82.8Confident50 Ų5053 Ų5352%0.51527%0.272SS..SBendtrans7510.4-178.700000115.1N317N317-G320 PolarHBondContact O-N 3.34Å; N317-G320 PolarHBondContact OD1-N 2.71Å; N317-G320 VanDerWaalsContact OD1-N 3.09Å
321R75.8Confident83.2Confident166 Ų16654.1 Ų54.163%0.62628%0.275SS*.SBendtrans-93.7148.1179-60.2-176.3180-172-0.5111.4L316 N317 Q319 S323L316-R321 CarbonylContact C-O 3.52Å; L316-R321 WeakPolarHBondContact CA-O 3.32Å; N317-R321 PolarHBondContact N-O 2.88Å; N317-R321 PolarHBondContact OD1-N 3.23Å; N317-R321 PolarHBondContact OD1-O 2.94Å; Q319-R321 VanDerWaalsContact C-N 3.3Å; Q319-R321 PolarHBondContact O-N 3.03Å; R321-S323 PolarHBondContact O-N 3.05Å
322P81.3Confident83.5Confident44 Ų4455.9 Ų55.929%0.28629%0.287SS..EExtended strand (participates in β ladder)trans-59.3127.7177.923.8-33.1000111.3Y289 L316 G324Y289-P322 WeakPolarHBondContact CD1-O 3.5Å; Y289-P322 WeakPolarHBondContact O-CG 3.22Å; L316-P322 HydrophobicContact CD2-CB 4.49Å; P322-G324 PolarHBondContact O-N 3.18Å
323S82.3Confident83.5Confident52 Ų5257.5 Ų57.536%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-73.9-15.1-179.3-167.50000112.5V315 R321 D325V315-S323 VanDerWaalsContact O-CB 3.28Å; V315-S323 WeakPolarHBondContact O-CB 3.5Å; V315-S323 PolarHBondContact O-N 3.27Å; R321-S323 PolarHBondContact O-N 3.05Å; S323-D325 VanDerWaalsContact C-N 3.34Å
324G83.7Confident83.6Confident2 Ų260.2 Ų60.22%0.02131%0.313CS..EExtended strand (participates in β ladder)trans83.712.2-169.200000113.5G286 L287 P322G286-G324 PolarHBondContact N-O 3.34Å; L287-G324 PolarHBondContact N-O 3.41Å; L287-G324 WeakPolarHBondContact O-CA 3.3Å; P322-G324 PolarHBondContact O-N 3.18Å
325D88.7Confident83.8Confident23 Ų2363.3 Ų63.312%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-115.7141.2173.6-76.811.7000109.5R283 L284 R285 V315 S323R283-D325 IonicContact CZ-OD2 2.6Å; R283-D325 IonicContact NE-OD2 3.82Å; R283-D325 IonicContact NH2-OD2 2.63Å; R283-D325 PolarHBondContact NH2-OD2 2.9Å; L284-D325 CarbonylContact O-C 3.5Å; L284-D325 VanDerWaalsContact O-CA 3.28Å; L284-D325 WeakPolarHBondContact O-CA 3.49Å; R285-D325 WeakPolarHBondContact CG-OD1 3.35Å; V315-D325 HydrophobicContact CB-CB 4.01Å; V315-D325 WeakPolarHBondContact CB-O 3.28Å; V315-D325 HydrophobicContact CG2-CB 3.98Å; V315-D325 PolarHBondContact N-O 2.87Å; S323-D325 VanDerWaalsContact C-N 3.34Å
326A91.7Very high84.2Confident0 Ų062.3 Ų62.30%032%0.317CS..EExtended strand (participates in β ladder)trans-142.2156172.600000111.1R283 L284 L287 I296 H313 M314R283-A326 CarbonylContact C-O 3.57Å; R283-A326 WeakPolarHBondContact CA-O 3.37Å; L284-A326 HydrophobicContact CB-CB 4.4Å; L284-A326 PolarHBondContact N-O 2.92Å; L284-A326 PolarHBondContact O-N 2.89Å; L287-A326 HydrophobicContact CD1-CB 3.45Å; L287-A326 VanDerWaalsContact CD1-CB 3.45Å; I296-A326 HydrophobicContact CD1-CB 4.21Å; H313-A326 CarbonylContact O-C 3.56Å; H313-A326 VanDerWaalsContact O-CA 3.29Å; H313-A326 WeakPolarHBondContact O-CA 3.42Å; M314-A326 HydrophobicContact SD-CB 3.67Å
327F92.9Very high84.8Confident0 Ų063.3 Ų63.30%032%0.318CS..EExtended strand (participates in β ladder)trans-122.8142.5175.4-70.3-91.9000111I282 R283 H313 V315 M363 V366I282-F327 CarbonylContact O-C 3.6Å; I282-F327 WeakPolarHBondContact O-CA 3.31Å; R283-F327 HydrophobicContact CB-CD1 3.88Å; R283-F327 HydrophobicContact CB-CE1 3.67Å; R283-F327 HydrophobicContact CB-CZ 4.34Å; R283-F327 HydrophobicContact CG-CD1 4.1Å; R283-F327 HydrophobicContact CG-CE1 3.64Å; R283-F327 HydrophobicContact CG-CE2 4.38Å; R283-F327 HydrophobicContact CG-CZ 3.78Å; H313-F327 HydrophobicContact CB-CB 4.32Å; H313-F327 PolarHBondContact N-O 3.34Å; H313-F327 PolarHBondContact O-N 2.9Å; V315-F327 HydrophobicContact CG2-CD2 3.73Å; V315-F327 HydrophobicContact CG2-CE2 3.71Å; F327-M363 HydrophobicContact CB-CB 4.42Å; F327-M363 HydrophobicContact CB-CE 3.49Å; F327-M363 VanDerWaalsContact CB-CE 3.49Å; F327-M363 HydrophobicContact CB-CG 3.68Å; F327-M363 HydrophobicContact CB-SD 4.15Å; F327-M363 HydrophobicContact CD1-CB 3.86Å; F327-M363 HydrophobicContact CD1-CG 4.01Å; F327-M363 HydrophobicContact CE1-CB 4.38Å; F327-M363 HydrophobicContact CG-CB 4.25Å; F327-M363 HydrophobicContact CG-CE 4.43Å; F327-M363 HydrophobicContact CG-CG 3.86Å; F327-V366 HydrophobicContact CE2-CB 3.72Å; F327-V366 HydrophobicContact CE2-CG1 3.56Å; F327-V366 HydrophobicContact CE2-CG2 4.33Å; F327-V366 HydrophobicContact CZ-CB 3.64Å; F327-V366 HydrophobicContact CZ-CG1 3.83Å; F327-V366 HydrophobicContact CZ-CG2 3.76Å
328I93.6Very high85.5Confident0 Ų064 Ų640%032%0.32CS..EExtended strand (participates in β ladder)trans-131.1120.3-173.6-56.5179.1000109.1C281 I282 L284 I296 L300 I307 G311 M330C281-I328 CarbonylContact C-O 3.51Å; C281-I328 VanDerWaalsContact CA-O 3.24Å; C281-I328 WeakPolarHBondContact CA-O 3.38Å; I282-I328 PolarHBondContact N-O 3.34Å; I282-I328 PolarHBondContact O-N 3.49Å; L284-I328 HydrophobicContact CD1-CD1 3.52Å; L284-I328 HydrophobicContact CG-CD1 3.97Å; I296-I328 HydrophobicContact CG2-CD1 3.55Å; L300-I328 HydrophobicContact CD1-CD1 3.4Å; L300-I328 VanDerWaalsContact CD1-CD1 3.4Å; L300-I328 HydrophobicContact CD1-CG2 4.4Å; L300-I328 HydrophobicContact CG-CD1 4.46Å; I307-I328 HydrophobicContact CB-CG2 4.38Å; I307-I328 HydrophobicContact CD1-CG2 3.79Å; I307-I328 HydrophobicContact CG1-CG2 3.71Å; I307-I328 HydrophobicContact CG2-CG2 3.81Å; G311-I328 CarbonylContact O-C 3.5Å; G311-I328 VanDerWaalsContact O-CA 3.27Å; G311-I328 WeakPolarHBondContact O-CA 3.4Å; I328-M330 HydrophobicContact CG2-SD 3.81Å
329Q90.4Very high86.3Confident55 Ų5554.1 Ų54.126%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-84.4115.6172.5-63.3-175.734.100109.7R308 G311 H313 M363R308-Q329 HydrophobicContact CB-CB 4.32Å; R308-Q329 HydrophobicContact CG-CB 4.33Å; R308-Q329 PolarHBondContact N-O 3.42Å; G311-Q329 PolarHBondContact O-N 3.19Å; H313-Q329 PolarHBondContact NE2-NE2 3.25Å; Q329-M363 HydrophobicContact CB-CE 4.4Å; Q329-M363 HydrophobicContact CG-CE 3.39Å; Q329-M363 HydrophobicContact CG-SD 3.67Å
330M90.1Very high87.4Confident0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-90.5161.1174.8-52.1-66-69.300110.3D280 I282 F303 D306 I307 R308 I328 S332 R335 A336D280-M330 WeakPolarHBondContact O-CA 3.42Å; D280-M330 WeakPolarHBondContact O-CB 3.46Å; D280-M330 PolarHBondContact O-N 3.19Å; I282-M330 HydrophobicContact CD1-CG 3.9Å; I282-M330 HydrophobicContact CD1-SD 3.94Å; I282-M330 HydrophobicContact CG1-CG 4Å; F303-M330 HydrophobicContact CB-CE 4.15Å; F303-M330 WeakPolarHBondContact O-CE 3.41Å; D306-M330 HydrophobicContact CB-CE 3.73Å; D306-M330 CarbonylContact O-C 3.52Å; D306-M330 WeakPolarHBondContact O-CA 3.45Å; I307-M330 HydrophobicContact CG1-CE 4.5Å; I307-M330 HydrophobicContact CG1-SD 3.87Å; R308-M330 PolarHBondContact NE-O 3.46Å; R308-M330 VanDerWaalsContact NE-O 3.15Å; I328-M330 HydrophobicContact CG2-SD 3.81Å; M330-S332 VanDerWaalsContact C-N 3.28Å; M330-R335 HydrophobicContact CE-CB 4.14Å; M330-A336 HydrophobicContact CB-CB 4.13Å; M330-A336 HydrophobicContact CG-CB 3.8Å
331K87.2Confident88.4Confident125 Ų12550.9 Ų50.954%0.54325%0.246SC..SBendtrans-75.7-18.2173.6-69.6171-175.3163.20112.5T305 D306 I307 R308T305-K331 PolarHBondContact O-NZ 3.23Å; D306-K331 WeakPolarHBondContact O-CB 3.38Å; D306-K331 VanDerWaalsContact O-CG 3.31Å; D306-K331 WeakPolarHBondContact O-CG 3.46Å; D306-K331 PolarHBondContact O-N 3.23Å; I307-K331 VanDerWaalsContact O-CE 3.28Å; I307-K331 WeakPolarHBondContact O-CE 3.22Å; R308-K331 HydrophobicContact CG-CG 4.07Å
332S87.6Confident89Confident39 Ų3947.5 Ų47.527%0.27324%0.236SC..  trans-147.8143.3-174.7166.70000112M330 D334 R335 A336M330-S332 VanDerWaalsContact C-N 3.28Å; S332-D334 VanDerWaalsContact C-N 3.31Å; S332-D334 PolarHBondContact O-N 2.93Å; S332-D334 PolarHBondContact OG-N 3Å; S332-R335 PolarHBondContact O-N 2.8Å; S332-A336 PolarHBondContact O-N 3.21Å
333T88.8Confident89.4Confident48 Ų4846.4 Ų46.429%0.29423%0.226SC..Hα-helixtrans-58.1-41.1172.446.70000113V278 D280 R335 A336 F337 Q357V278-T333 HydrophobicContact CB-CG2 4.37Å; V278-T333 HydrophobicContact CG1-CG2 3.13Å; D280-T333 HydrophobicContact CB-CG2 4.07Å; T333-R335 VanDerWaalsContact C-N 3.32Å; T333-R335 PolarHBondContact O-N 3.3Å; T333-A336 WeakPolarHBondContact O-CB 3.46Å; T333-A336 PolarHBondContact O-N 2.63Å; T333-F337 PolarHBondContact O-N 2.93Å; T333-Q357 PolarHBondContact O-NE2 3.11Å
334D89.1Confident89.8Confident104 Ų10447 Ų4756%0.55622%0.223SC*.Hα-helixtrans-70.9-37.2-174.8-59.1-21.6000110S332 F337 M338S332-D334 VanDerWaalsContact C-N 3.31Å; S332-D334 PolarHBondContact O-N 2.93Å; S332-D334 PolarHBondContact OG-N 3Å; D334-F337 PolarHBondContact O-N 3.37Å; D334-M338 HydrophobicContact CB-CE 4.39Å; D334-M338 WeakPolarHBondContact O-CB 3.26Å; D334-M338 WeakPolarHBondContact O-CE 3.45Å; D334-M338 WeakPolarHBondContact O-CG 3.41Å; D334-M338 PolarHBondContact O-N 3.13Å
335R90.9Very high89.9Confident106 Ų10653.4 Ų53.440%0.425%0.25SS..Hα-helixtrans-65.7-41.8173-60.9-69.3138.6172.4-1110.8D306 M330 S332 T333 M338 A339D306-R335 HydrophobicContact CB-CB 4.19Å; D306-R335 HydrophobicContact CB-CG 4.22Å; D306-R335 VanDerWaalsContact OD2-CD 3.31Å; D306-R335 WeakPolarHBondContact OD2-CD 3.48Å; M330-R335 HydrophobicContact CE-CB 4.14Å; S332-R335 PolarHBondContact O-N 2.8Å; T333-R335 VanDerWaalsContact C-N 3.32Å; T333-R335 PolarHBondContact O-N 3.3Å; R335-M338 VanDerWaalsContact CZ-CE 3.48Å; R335-M338 PolarHBondContact O-N 3.36Å; R335-A339 VanDerWaalsContact O-CB 3.23Å; R335-A339 WeakPolarHBondContact O-CB 3.47Å; R335-A339 PolarHBondContact O-N 2.66Å
336A91Very high89.9Confident0 Ų056.4 Ų56.40%026%0.262CS..Hα-helixtrans-60.7-45.2174.600000112.5I282 M330 S332 T333 A340 Q357I282-A336 HydrophobicContact CD1-CB 4.4Å; I282-A336 HydrophobicContact CG1-CB 3.9Å; M330-A336 HydrophobicContact CB-CB 4.13Å; M330-A336 HydrophobicContact CG-CB 3.8Å; S332-A336 PolarHBondContact O-N 3.21Å; T333-A336 WeakPolarHBondContact O-CB 3.46Å; T333-A336 PolarHBondContact O-N 2.63Å; A336-A340 VanDerWaalsContact O-CB 3.28Å; A336-A340 WeakPolarHBondContact O-CB 3.09Å; A336-A340 PolarHBondContact O-N 2.88Å; A336-Q357 HydrophobicContact CB-CG 4.34Å
337F90.8Very high89.7Confident101 Ų10161.4 Ų61.444%0.44329%0.293SS..Hα-helixtrans-63.7-49.4176.9179.6-103000112.2T333 D334 A339 A340 Q341T333-F337 PolarHBondContact O-N 2.93Å; D334-F337 PolarHBondContact O-N 3.37Å; F337-A339 PolarHBondContact O-N 2.65Å; F337-A340 PolarHBondContact O-N 3.41Å; F337-Q341 HydrophobicContact CD1-CG 4.46Å; F337-Q341 HydrophobicContact CD2-CG 4.48Å; F337-Q341 HydrophobicContact CE1-CG 4.07Å; F337-Q341 HydrophobicContact CE2-CG 4.09Å; F337-Q341 HydrophobicContact CZ-CG 3.87Å; F337-Q341 WeakPolarHBondContact O-CG 3.21Å; F337-Q341 PolarHBondContact O-N 3.5Å
338M88.9Confident89.3Confident74 Ų7461.9 Ų61.937%0.36530%0.295SS..Hα-helixtrans-63-43.1-180-76.4-172.6-7400112.4F303 D334 R335 A340 Q341 K342F303-M338 HydrophobicContact CE1-CB 3.67Å; F303-M338 HydrophobicContact CZ-CB 3.99Å; D334-M338 HydrophobicContact CB-CE 4.39Å; D334-M338 WeakPolarHBondContact O-CB 3.26Å; D334-M338 WeakPolarHBondContact O-CE 3.45Å; D334-M338 WeakPolarHBondContact O-CG 3.41Å; D334-M338 PolarHBondContact O-N 3.13Å; R335-M338 VanDerWaalsContact CZ-CE 3.48Å; R335-M338 PolarHBondContact O-N 3.36Å; M338-A340 VanDerWaalsContact C-N 3.34Å; M338-Q341 PolarHBondContact O-N 2.86Å; M338-K342 VanDerWaalsContact O-CB 3.24Å; M338-K342 WeakPolarHBondContact O-CB 3.29Å; M338-K342 PolarHBondContact O-N 2.99Å
339A90.7Very high88.8Confident0 Ų067.5 Ų67.50%032%0.32CS..Hα-helixtrans-63.2-42175.300000111.4I282 F303 R335 F337 Q341 K342 Y343I282-A339 HydrophobicContact CD1-CB 3.41Å; I282-A339 VanDerWaalsContact CD1-CB 3.41Å; F303-A339 HydrophobicContact CB-CB 4.08Å; F303-A339 HydrophobicContact CD1-CB 3.68Å; F303-A339 HydrophobicContact CD2-CB 4.37Å; F303-A339 HydrophobicContact CE1-CB 4.18Å; F303-A339 HydrophobicContact CG-CB 3.76Å; R335-A339 VanDerWaalsContact O-CB 3.23Å; R335-A339 WeakPolarHBondContact O-CB 3.47Å; R335-A339 PolarHBondContact O-N 2.66Å; F337-A339 PolarHBondContact O-N 2.65Å; A339-Q341 PolarHBondContact O-N 3.26Å; A339-K342 PolarHBondContact O-N 3.4Å; A339-Y343 WeakPolarHBondContact O-CB 3.29Å; A339-Y343 WeakPolarHBondContact O-CD2 3.28Å; A339-Y343 PolarHBondContact O-N 3.03Å
340A91.8Very high88.3Confident2 Ų272.8 Ų72.82%0.01735%0.35CS..Hα-helixtrans-59.6-47.7175.900000112.1A336 F337 M338 H344 V355 Q357A336-A340 VanDerWaalsContact O-CB 3.28Å; A336-A340 WeakPolarHBondContact O-CB 3.09Å; A336-A340 PolarHBondContact O-N 2.88Å; F337-A340 PolarHBondContact O-N 3.41Å; M338-A340 VanDerWaalsContact C-N 3.34Å; A340-H344 WeakPolarHBondContact O-CB 3.4Å; A340-H344 PolarHBondContact O-N 3.49Å; A340-H344 VanDerWaalsContact O-N 3.16Å; A340-V355 HydrophobicContact CB-CG1 4.14Å; A340-Q357 HydrophobicContact CB-CB 4.16Å
341Q88.9Confident87.9Confident127 Ų12776.5 Ų76.559%0.59336%0.364SS*.Hα-helixtrans-67.4-42.1178.6-64.6-57.9-45.500112.7F337 M338 A339F337-Q341 HydrophobicContact CD1-CG 4.46Å; F337-Q341 HydrophobicContact CD2-CG 4.48Å; F337-Q341 HydrophobicContact CE1-CG 4.07Å; F337-Q341 HydrophobicContact CE2-CG 4.09Å; F337-Q341 HydrophobicContact CZ-CG 3.87Å; F337-Q341 WeakPolarHBondContact O-CG 3.21Å; F337-Q341 PolarHBondContact O-N 3.5Å; M338-Q341 PolarHBondContact O-N 2.86Å; A339-Q341 PolarHBondContact O-N 3.26Å
342K88.8Confident88Confident95 Ų9577.9 Ų77.941%0.41337%0.367SS..Hα-helixtrans-73.6-30.9-174-171.1177.9-179168.40113.5E302 F303 M338 A339 K346E302-K342 IonicContact OE1-NZ 2.59Å; E302-K342 PolarHBondContact OE1-NZ 3.04Å; E302-K342 IonicContact OE2-NZ 3.92Å; F303-K342 HydrophobicContact CE2-CD 3.68Å; F303-K342 HydrophobicContact CZ-CD 4.21Å; M338-K342 VanDerWaalsContact O-CB 3.24Å; M338-K342 WeakPolarHBondContact O-CB 3.29Å; M338-K342 PolarHBondContact O-N 2.99Å; A339-K342 PolarHBondContact O-N 3.4Å; K342-K346 WeakPolarHBondContact O-CE 3.29Å; K342-K346 PolarHBondContact O-NZ 3.42Å
343Y89.8Confident88.2Confident22 Ų2276 Ų769%0.08635%0.354CS..Hα-helixtrans-108-2.9-175-68.7-83.9000114.3F299 L300 F303 A339 K345 K346 V355F299-Y343 HydrophobicContact CE1-CD1 4.22Å; F299-Y343 HydrophobicContact CE1-CG 4.3Å; F299-Y343 HydrophobicContact CE2-CD1 4.4Å; F299-Y343 HydrophobicContact CZ-CD1 4.16Å; F299-Y343 HydrophobicContact CZ-CG 4.45Å; F299-Y343 WeakPolarHBondContact O-CD1 3.29Å; F299-Y343 WeakPolarHBondContact O-CE1 3.31Å; L300-Y343 HydrophobicContact CD2-CD2 4.3Å; L300-Y343 HydrophobicContact CD2-CG 4.46Å; L300-Y343 WeakPolarHBondContact O-CE2 3.37Å; L300-Y343 PolarHBondContact O-OH 3.48Å; F303-Y343 HydrophobicContact CD2-CD2 4.38Å; F303-Y343 AromaticContact CD2-CE2 3.52Å; F303-Y343 HydrophobicContact CD2-CE2 3.52Å; F303-Y343 AromaticContact CE2-CE2 3.8Å; F303-Y343 HydrophobicContact CE2-CE2 3.8Å; A339-Y343 WeakPolarHBondContact O-CB 3.29Å; A339-Y343 WeakPolarHBondContact O-CD2 3.28Å; A339-Y343 PolarHBondContact O-N 3.03Å; Y343-K345 PolarHBondContact O-N 3.22Å; Y343-K346 HydrophobicContact CD1-CD 3.62Å; Y343-K346 HydrophobicContact CE1-CD 4.11Å; Y343-K346 HydrophobicContact CG-CD 4.39Å; Y343-K346 PolarHBondContact O-N 3.45Å; Y343-V355 VanDerWaalsContact O-CG2 3.32Å; Y343-V355 WeakPolarHBondContact O-CG2 3.25Å
344H90.2Very high88.3Confident64 Ų6475.9 Ų75.930%0.29635%0.349SS..THydrogen-bonded Turntrans-59127.1173.3-171.478.8000111.4A340 K346 V355 F356A340-H344 WeakPolarHBondContact O-CB 3.4Å; A340-H344 PolarHBondContact O-N 3.49Å; A340-H344 VanDerWaalsContact O-N 3.16Å; H344-K346 PolarHBondContact O-N 3.37Å; H344-V355 HydrophobicContact CB-CB 4.4Å; H344-V355 PolarHBondContact ND1-N 3.23Å; H344-V355 PolarHBondContact ND1-O 2.59Å; H344-F356 AromaticContact CE1-CE1 3.87Å
345K86.8Confident88.4Confident137 Ų13771.1 Ų71.160%0.59632%0.324SS*.THydrogen-bonded Turntrans63.915.2-178.4-64.5173.6179.7-179.60115.4Y343 V353Y343-K345 PolarHBondContact O-N 3.22Å; K345-V353 VanDerWaalsContact CA-O 3.27Å; K345-V353 WeakPolarHBondContact CA-O 3.43Å; K345-V353 PolarHBondContact N-O 2.94Å
346K87.9Confident88.4Confident85 Ų8567.8 Ų67.837%0.3731%0.313SS..EExtended strand (participates in β ladder)trans-73.1151.1167.5-76.6-167.5176171.60111F299 K342 Y343 H344 Y352 V353F299-K346 HydrophobicContact CE2-CB 3.8Å; F299-K346 HydrophobicContact CZ-CB 4.1Å; K342-K346 WeakPolarHBondContact O-CE 3.29Å; K342-K346 PolarHBondContact O-NZ 3.42Å; Y343-K346 HydrophobicContact CD1-CD 3.62Å; Y343-K346 HydrophobicContact CE1-CD 4.11Å; Y343-K346 HydrophobicContact CG-CD 4.39Å; Y343-K346 PolarHBondContact O-N 3.45Å; H344-K346 PolarHBondContact O-N 3.37Å; K346-Y352 WeakPolarHBondContact O-CA 3.45Å; K346-V353 PolarHBondContact O-N 3.16Å
347T86.6Confident88.4Confident106 Ų10669.8 Ų69.865%0.6532%0.322SS*.EExtended strand (participates in β ladder)trans-86126.3179.1500000110.9R351T347-R351 CarbonylContact C-O 3.57Å; T347-R351 VanDerWaalsContact CA-O 3.31Å; T347-R351 WeakPolarHBondContact CA-O 3.41Å
348M85.4Confident88.3Confident9 Ų965.3 Ų65.34%0.04430%0.303CS..EExtended strand (participates in β ladder)trans-105.5111.9164.9-179.9-170.5-81.400107.3L287 P288 A291 D295 I296 F299 D350 R351 V353L287-M348 HydrophobicContact CD2-CE 3.57Å; L287-M348 HydrophobicContact CD2-SD 3.63Å; P288-M348 HydrophobicContact CG-CG 4.43Å; P288-M348 HydrophobicContact CG-SD 4.35Å; A291-M348 HydrophobicContact CB-SD 4.17Å; D295-M348 HydrophobicContact CB-SD 4.47Å; D295-M348 WeakPolarHBondContact O-CE 3.31Å; I296-M348 HydrophobicContact CG1-CE 4.25Å; F299-M348 HydrophobicContact CB-CE 3.24Å; F299-M348 HydrophobicContact CD1-CE 3.95Å; F299-M348 HydrophobicContact CD2-CB 3.9Å; F299-M348 HydrophobicContact CD2-CE 3.96Å; F299-M348 HydrophobicContact CD2-CG 4.44Å; F299-M348 HydrophobicContact CE2-CB 4.21Å; F299-M348 HydrophobicContact CG-CE 3.46Å; F299-M348 VanDerWaalsContact CG-CE 3.46Å; M348-D350 PolarHBondContact O-N 3.33Å; M348-D350 VanDerWaalsContact O-N 3.17Å; M348-R351 PolarHBondContact N-O 3.13Å; M348-R351 PolarHBondContact O-N 2.89Å; M348-R351 VanDerWaalsContact O-N 3.1Å; M348-V353 HydrophobicContact CB-CG2 3.56Å
349K82.2Confident88.2Confident119 Ų11962 Ų6252%0.51729%0.287SS..THydrogen-bonded Turntrans53.6-120.2-171.5-55.7175.5-179.61740108.7P288 D295P288-K349 HydrophobicContact CG-CB 4.5Å; D295-K349 WeakPolarHBondContact OD1-CE 3.43Å; D295-K349 IonicContact OD1-NZ 2.74Å; D295-K349 PolarHBondContact OD1-NZ 3.42Å; D295-K349 IonicContact OD2-NZ 2.8Å; D295-K349 PolarHBondContact OD2-NZ 3.35Å
350D81.7Confident87.7Confident166 Ų16664.3 Ų64.389%0.88831%0.306SS*.THydrogen-bonded Turntrans-94.88.7-177.1-54-54.6000114.8M348M348-D350 PolarHBondContact O-N 3.33Å; M348-D350 VanDerWaalsContact O-N 3.17Å
351R81.8Confident87.1Confident78 Ų7870.8 Ų70.829%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-125.3138.6-179-55.6-139.2-50.6-176.22.5112.4G286 L287 P288 T347 M348G286-R351 VanDerWaalsContact O-CZ 3.26Å; G286-R351 PolarHBondContact O-NE 3.46Å; G286-R351 PolarHBondContact O-NH2 2.82Å; L287-R351 VanDerWaalsContact C-NH2 3.28Å; L287-R351 PolarHBondContact O-NH2 3.2Å; P288-R351 HydrophobicContact CG-CB 4.36Å; P288-R351 HydrophobicContact CG-CG 4.23Å; T347-R351 CarbonylContact C-O 3.57Å; T347-R351 VanDerWaalsContact CA-O 3.31Å; T347-R351 WeakPolarHBondContact CA-O 3.41Å; M348-R351 PolarHBondContact N-O 3.13Å; M348-R351 PolarHBondContact O-N 2.89Å; M348-R351 VanDerWaalsContact O-N 3.1Å
352Y88Confident86.7Confident154 Ų15467.2 Ų67.260%0.60432%0.319SS*.EExtended strand (participates in β ladder)trans-74.1136.2165.763.9-93.5000109.9K346 E354K346-Y352 WeakPolarHBondContact O-CA 3.45Å; Y352-E354 HydrophobicContact CD2-CG 4.43Å; Y352-E354 HydrophobicContact CE2-CG 4.4Å
353V91.4Very high86.2Confident0 Ų062.9 Ų62.90%030%0.301CS..EExtended strand (participates in β ladder)trans-106.4125-179.9-177.80000108.7L284 R285 L287 F299 K345 K346 M348 V355L284-V353 HydrophobicContact CB-CG1 4.17Å; L284-V353 HydrophobicContact CD2-CG1 4.17Å; R285-V353 CarbonylContact O-C 3.58Å; R285-V353 WeakPolarHBondContact O-CA 3.36Å; L287-V353 HydrophobicContact CD2-CG1 3.97Å; L287-V353 HydrophobicContact CD2-CG2 4.03Å; F299-V353 HydrophobicContact CE1-CB 4.35Å; F299-V353 HydrophobicContact CE1-CG1 4.18Å; F299-V353 HydrophobicContact CE2-CB 4.24Å; F299-V353 HydrophobicContact CE2-CG2 4.28Å; F299-V353 HydrophobicContact CZ-CB 3.77Å; F299-V353 HydrophobicContact CZ-CG1 4.09Å; F299-V353 HydrophobicContact CZ-CG2 4.24Å; K345-V353 VanDerWaalsContact CA-O 3.27Å; K345-V353 WeakPolarHBondContact CA-O 3.43Å; K345-V353 PolarHBondContact N-O 2.94Å; K346-V353 PolarHBondContact O-N 3.16Å; M348-V353 HydrophobicContact CB-CG2 3.56Å; V353-V355 HydrophobicContact CG1-CG2 4.18Å
354E90.7Very high85.6Confident44 Ų4466.2 Ų66.221%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-87.7126.9171.3-60-177.3123.800109R285 Y352 F356R285-E354 HydrophobicContact CB-CB 4.3Å; R285-E354 PolarHBondContact N-O 2.84Å; R285-E354 IonicContact NH1-OE2 3.85Å; R285-E354 PolarHBondContact O-N 3.06Å; Y352-E354 HydrophobicContact CD2-CG 4.43Å; Y352-E354 HydrophobicContact CE2-CG 4.4Å; E354-F356 HydrophobicContact CB-CD2 4.43Å; E354-F356 HydrophobicContact CB-CE2 3.54Å; E354-F356 HydrophobicContact CB-CZ 3.8Å
355V92.2Very high84.9Confident4 Ų468.5 Ų68.52%0.02433%0.33CS..EExtended strand (participates in β ladder)trans-116.2126-177.4-169.80000108.6I282 R283 L284 F299 A340 Y343 H344 V353I282-V355 HydrophobicContact CG2-CG1 3.17Å; R283-V355 WeakPolarHBondContact O-CA 3.39Å; L284-V355 HydrophobicContact CD2-CB 4.14Å; L284-V355 HydrophobicContact CD2-CG1 3.72Å; L284-V355 HydrophobicContact CD2-CG2 3.58Å; F299-V355 HydrophobicContact CE1-CG2 4.12Å; F299-V355 HydrophobicContact CZ-CG2 4.31Å; A340-V355 HydrophobicContact CB-CG1 4.14Å; Y343-V355 VanDerWaalsContact O-CG2 3.32Å; Y343-V355 WeakPolarHBondContact O-CG2 3.25Å; H344-V355 HydrophobicContact CB-CB 4.4Å; H344-V355 PolarHBondContact ND1-N 3.23Å; H344-V355 PolarHBondContact ND1-O 2.59Å; V353-V355 HydrophobicContact CG1-CG2 4.18Å
356F91.1Very high84.1Confident36 Ų3662.8 Ų62.816%0.15831%0.306CS..EExtended strand (participates in β ladder)trans-128.7135.8-178.4-57.1-78.7000110.7I282 R283 R285 H344 E354I282-F356 CarbonylContact C-O 3.57Å; I282-F356 WeakPolarHBondContact CA-O 3.42Å; I282-F356 WeakPolarHBondContact CG2-O 3.32Å; R283-F356 PolarHBondContact N-O 3.24Å; R283-F356 PolarHBondContact O-N 3.13Å; R285-F356 HydrophobicContact CB-CE2 4.5Å; H344-F356 AromaticContact CE1-CE1 3.87Å; E354-F356 HydrophobicContact CB-CD2 4.43Å; E354-F356 HydrophobicContact CB-CE2 3.54Å; E354-F356 HydrophobicContact CB-CZ 3.8Å
357Q91.5Very high83.3Confident43 Ų4362.2 Ų62.220%0.20131%0.306CS..EExtended strand (participates in β ladder)trans-73.3134.7170.1-164.3-167.812.700109.7R279 T333 A336 A340R279-Q357 HydrophobicContact CB-CG 3.92Å; R279-Q357 WeakPolarHBondContact O-CG 3.42Å; R279-Q357 PolarHBondContact O-NE2 3.38Å; T333-Q357 PolarHBondContact O-NE2 3.11Å; A336-Q357 HydrophobicContact CB-CG 4.34Å; A340-Q357 HydrophobicContact CB-CB 4.16Å
358C87Confident82.3Confident6 Ų664 Ų644%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-142.6169.6179.8670000111.5R279 C281 E362R279-C358 CarbonylContact C-O 3.52Å; R279-C358 VanDerWaalsContact CA-O 3.27Å; R279-C358 WeakPolarHBondContact CA-O 3.44Å; C281-C358 CarbonylContact C-O 3.59Å; C281-C358 WeakPolarHBondContact CA-O 3.31Å; C281-C358 WeakPolarHBondContact CB-O 3.5Å; C281-C358 VanDerWaalsContact CB-SG 3.55Å; C281-C358 PolarHBondContact N-O 3.34Å; C281-C358 PolarHBondContact O-N 2.9Å; C358-E362 WeakPolarHBondContact CA-OE2 3.37Å; C358-E362 HydrophobicContact CB-CB 4.19Å; C358-E362 WeakPolarHBondContact CB-OE2 3.48Å
359S87.4Confident81Confident4 Ų466.7 Ų66.73%0.02834%0.339CS..  trans-91.2164.1171.371.90000112.3V278 E361 E362 M363V278-S359 WeakPolarHBondContact O-CA 3.39Å; V278-S359 WeakPolarHBondContact O-CB 3.27Å; S359-E361 PolarHBondContact O-N 2.87Å; S359-E361 PolarHBondContact OG-N 2.95Å; S359-E362 PolarHBondContact N-OE2 3.25Å; S359-E362 PolarHBondContact O-N 3.44Å; S359-E362 WeakPolarHBondContact OG-CG 3.48Å; S359-E362 PolarHBondContact OG-N 3.46Å; S359-M363 PolarHBondContact O-N 3.27Å
360A81Confident79.9Confident49 Ų4961.9 Ų61.941%0.40532%0.323SS..Hα-helixtrans-62-30.1172.400000112.3M363 N364A360-M363 WeakPolarHBondContact O-CB 3.35Å; A360-M363 PolarHBondContact O-N 2.89Å; A360-N364 WeakPolarHBondContact O-CB 3.27Å; A360-N364 PolarHBondContact O-N 3.44Å
361E79.4Confident78.5Confident139 Ų13959.4 Ų59.465%0.6531%0.314SS*.Hα-helixtrans-66.7-44.4174.5-64176.2178.200111.6S359 M363 N364 F365S359-E361 PolarHBondContact O-N 2.87Å; S359-E361 PolarHBondContact OG-N 2.95Å; E361-M363 VanDerWaalsContact C-N 3.33Å; E361-M363 PolarHBondContact O-N 3.24Å; E361-N364 PolarHBondContact O-N 3.46Å; E361-F365 WeakPolarHBondContact O-CB 3.28Å; E361-F365 PolarHBondContact O-N 2.94Å
362E78.9Confident77.2Confident51 Ų5158.2 Ų58.224%0.23831%0.314CS..Hα-helixtrans-63.8-39.4175.8-72.5173.3150.200111.5C358 S359 V366 L372C358-E362 WeakPolarHBondContact CA-OE2 3.37Å; C358-E362 HydrophobicContact CB-CB 4.19Å; C358-E362 WeakPolarHBondContact CB-OE2 3.48Å; S359-E362 PolarHBondContact N-OE2 3.25Å; S359-E362 PolarHBondContact O-N 3.44Å; S359-E362 WeakPolarHBondContact OG-CG 3.48Å; S359-E362 PolarHBondContact OG-N 3.46Å; E362-V366 PolarHBondContact O-N 2.74Å; E362-L372 HydrophobicContact CB-CD1 3.97Å
363M79.6Confident75.5Confident5 Ų558.2 Ų58.23%0.02532%0.324CS..Hα-helixtrans-58.9-52.9171.2173.3-170.7-70.800110.9C281 F327 Q329 S359 A360 E361 F365 V366 L367C281-M363 HydrophobicContact CB-CE 3.82Å; F327-M363 HydrophobicContact CB-CB 4.42Å; F327-M363 HydrophobicContact CB-CE 3.49Å; F327-M363 VanDerWaalsContact CB-CE 3.49Å; F327-M363 HydrophobicContact CB-CG 3.68Å; F327-M363 HydrophobicContact CB-SD 4.15Å; F327-M363 HydrophobicContact CD1-CB 3.86Å; F327-M363 HydrophobicContact CD1-CG 4.01Å; F327-M363 HydrophobicContact CE1-CB 4.38Å; F327-M363 HydrophobicContact CG-CB 4.25Å; F327-M363 HydrophobicContact CG-CE 4.43Å; F327-M363 HydrophobicContact CG-CG 3.86Å; Q329-M363 HydrophobicContact CB-CE 4.4Å; Q329-M363 HydrophobicContact CG-CE 3.39Å; Q329-M363 HydrophobicContact CG-SD 3.67Å; S359-M363 PolarHBondContact O-N 3.27Å; A360-M363 WeakPolarHBondContact O-CB 3.35Å; A360-M363 PolarHBondContact O-N 2.89Å; E361-M363 VanDerWaalsContact C-N 3.33Å; E361-M363 PolarHBondContact O-N 3.24Å; M363-F365 VanDerWaalsContact C-N 3.31Å; M363-F365 PolarHBondContact O-N 3.45Å; M363-V366 PolarHBondContact O-N 2.79Å; M363-L367 HydrophobicContact CG-CD1 3.79Å; M363-L367 HydrophobicContact CG-CG 4.39Å; M363-L367 WeakPolarHBondContact O-CG 3.33Å; M363-L367 PolarHBondContact O-N 3.45Å; M363-L367 HydrophobicContact SD-CD1 4.44Å
364N77Confident73.2Confident91 Ų9167.2 Ų67.249%0.48736%0.358SS..Hα-helixtrans-62.5-39.2-177.5-168.738.4000111.9A360 E361 V366 L367 M368A360-N364 WeakPolarHBondContact O-CB 3.27Å; A360-N364 PolarHBondContact O-N 3.44Å; E361-N364 PolarHBondContact O-N 3.46Å; N364-V366 VanDerWaalsContact C-N 3.3Å; N364-V366 PolarHBondContact O-N 3.42Å; N364-L367 PolarHBondContact O-N 2.84Å; N364-M368 WeakPolarHBondContact O-CB 3.27Å; N364-M368 VanDerWaalsContact O-CG 3.31Å; N364-M368 WeakPolarHBondContact O-CG 3.46Å; N364-M368 PolarHBondContact O-N 2.92Å
365F75Confident71Confident113 Ų11370.1 Ų70.150%0.49638%0.375SS..Hα-helixtrans-57.6-41.9175.9-177.5-101.9000112.3E361 M363 G370 L372E361-F365 WeakPolarHBondContact O-CB 3.28Å; E361-F365 PolarHBondContact O-N 2.94Å; M363-F365 VanDerWaalsContact C-N 3.31Å; M363-F365 PolarHBondContact O-N 3.45Å; F365-G370 VanDerWaalsContact O-CA 3.23Å; F365-G370 WeakPolarHBondContact O-CA 3.31Å; F365-G370 PolarHBondContact O-N 3.38Å; F365-L372 HydrophobicContact CD1-CD2 3.74Å; F365-L372 HydrophobicContact CD1-CG 4.29Å; F365-L372 HydrophobicContact CE1-CD2 4.17Å
366V70.8Confident68.7Low16 Ų1671.7 Ų71.710%0.09739%0.392CS..Hα-helixtrans-75.3-38.7177.8-179.90000112.2F327 E362 M363 N364 M368 G369 G370 L372F327-V366 HydrophobicContact CE2-CB 3.72Å; F327-V366 HydrophobicContact CE2-CG1 3.56Å; F327-V366 HydrophobicContact CE2-CG2 4.33Å; F327-V366 HydrophobicContact CZ-CB 3.64Å; F327-V366 HydrophobicContact CZ-CG1 3.83Å; F327-V366 HydrophobicContact CZ-CG2 3.76Å; E362-V366 PolarHBondContact O-N 2.74Å; M363-V366 PolarHBondContact O-N 2.79Å; N364-V366 VanDerWaalsContact C-N 3.3Å; N364-V366 PolarHBondContact O-N 3.42Å; V366-M368 PolarHBondContact O-N 3.24Å; V366-G369 PolarHBondContact O-N 3.13Å; V366-G370 WeakPolarHBondContact CA-O 3.47Å; V366-L372 HydrophobicContact CG2-CB 4.3Å; V366-L372 HydrophobicContact CG2-CD1 3.42Å; V366-L372 VanDerWaalsContact CG2-CD1 3.42Å; V366-L372 HydrophobicContact CG2-CD2 4.48Å; V366-L372 HydrophobicContact CG2-CG 3.42Å; V366-L372 VanDerWaalsContact CG2-CG 3.42Å
367L70.1Confident65.9Low73 Ų7376.6 Ų76.638%0.38242%0.419SS..Hα-helixtrans-63.7-27.8175.6-67.8175.8000112.3H313 M363 N364 G369H313-L367 HydrophobicContact CB-CD1 4.12Å; H313-L367 HydrophobicContact CB-CD2 4.15Å; M363-L367 HydrophobicContact CG-CD1 3.79Å; M363-L367 HydrophobicContact CG-CG 4.39Å; M363-L367 WeakPolarHBondContact O-CG 3.33Å; M363-L367 PolarHBondContact O-N 3.45Å; M363-L367 HydrophobicContact SD-CD1 4.44Å; N364-L367 PolarHBondContact O-N 2.84Å; L367-G369 VanDerWaalsContact C-N 3.28Å; L367-G369 PolarHBondContact O-N 3.49Å
368M67Low63.1Low145 Ų14579.9 Ų79.971%0.71445%0.447SS*.THydrogen-bonded Turntrans-85.610.4173.3-66.2-170.675.500114.2N364 V366N364-M368 WeakPolarHBondContact O-CB 3.27Å; N364-M368 VanDerWaalsContact O-CG 3.31Å; N364-M368 WeakPolarHBondContact O-CG 3.46Å; N364-M368 PolarHBondContact O-N 2.92Å; V366-M368 PolarHBondContact O-N 3.24Å
369G57.5Low60.3Low65 Ų6585 Ų8567%0.6748%0.48SS*.THydrogen-bonded Turntrans90.910.5175.900000115.3V366 L367V366-G369 PolarHBondContact O-N 3.13Å; L367-G369 VanDerWaalsContact C-N 3.28Å; L367-G369 PolarHBondContact O-N 3.49Å
370G58.5Low57.7Low18 Ų1890.2 Ų90.219%0.18651%0.514CS..  trans-75.9157170.800000113.1F365 V366F365-G370 VanDerWaalsContact O-CA 3.23Å; F365-G370 WeakPolarHBondContact O-CA 3.31Å; F365-G370 PolarHBondContact O-N 3.38Å; V366-G370 WeakPolarHBondContact CA-O 3.47Å
371T53.6Low55.6Low113 Ų11393.8 Ų93.869%0.69353%0.533SS*.  trans-115.112517858.70000111.2
372L54.3Low53.2Low54 Ų5492.7 Ų92.728%0.28354%0.54SS..  trans-94.9145.4175.4-63.7175000112.3E362 F365 V366E362-L372 HydrophobicContact CB-CD1 3.97Å; F365-L372 HydrophobicContact CD1-CD2 3.74Å; F365-L372 HydrophobicContact CD1-CG 4.29Å; F365-L372 HydrophobicContact CE1-CD2 4.17Å; V366-L372 HydrophobicContact CG2-CB 4.3Å; V366-L372 HydrophobicContact CG2-CD1 3.42Å; V366-L372 VanDerWaalsContact CG2-CD1 3.42Å; V366-L372 HydrophobicContact CG2-CD2 4.48Å; V366-L372 HydrophobicContact CG2-CG 3.42Å; V366-L372 VanDerWaalsContact CG2-CG 3.42Å
373N51.7Low51.2Low154 Ų15498.8 Ų98.882%0.82457%0.573SS**  trans-68154.8177-92.1-8.2000113.1N375N373-N375 VanDerWaalsContact C-N 3.27Å; N373-N375 PolarHBondContact O-N 2.88Å
374R43.7Very low48.7Very low189 Ų189103.6 Ų103.671%0.71361%0.607SS**THydrogen-bonded Turntrans-56.4-20.1-164.4-172.1175.4161.7-162.7-5.7117.1
375N42.9Very low46.4Very low104 Ų104104.7 Ų104.756%0.55662%0.619SS**THydrogen-bonded Turntrans-126.7-5.3-164.5-81.930.5000118.3N373 L377N373-N375 VanDerWaalsContact C-N 3.27Å; N373-N375 PolarHBondContact O-N 2.88Å; N375-L377 WeakPolarHBondContact O-CG 3.5Å; N375-L377 PolarHBondContact O-N 2.89Å
376G45.1Very low44.3Very low38 Ų38105.2 Ų105.239%0.39263%0.634SS.*  trans51.67170.300000119.3R279R279-G376 PolarHBondContact NH1-O 3.4Å
377L33.1Very low42.3Very low138 Ų138110 Ų11072%0.72367%0.668SS**  trans-131.7115.2-172-65.4174000109.4N375N375-L377 WeakPolarHBondContact O-CG 3.5Å; N375-L377 PolarHBondContact O-N 2.89Å
378S30.8Very low40.4Very low113 Ų113116.8 Ų116.879%0.7969%0.69SS**PPolyproline II helixtrans-96.9128.8162.4-53.90000108
379P28.6Very low38.6Very low112 Ų112116.1 Ų116.173%0.72769%0.694SS**PPolyproline II helixtrans-73152.316530.2-31.2000110.4
380P33.4Very low37.3Very low114 Ų114121.9 Ų121.974%0.7470%0.701SS**PPolyproline II helixtrans-69.1148.3177.628.6-31.6000110.6C382P380-C382 PolarHBondContact O-N 3.28Å; P380-C382 VanDerWaalsContact O-N 3.08Å
381P36.6Very low36Very low125 Ų125126.6 Ų126.681%0.81273%0.728SS**  trans-65113.1170.525.3-29.3000109.2L383P381-L383 PolarHBondContact O-N 3Å
382C29.6Very low34.8Very low116 Ų116125.7 Ų125.778%0.78473%0.732SS**  trans-55.7122.9167.335.80000110.5P380P380-C382 PolarHBondContact O-N 3.28Å; P380-C382 VanDerWaalsContact O-N 3.08Å
383L36Very low33.8Very low179 Ų179129.1 Ų129.194%0.93776%0.758SS**  trans-64.2134.4169.5-68.7163.2000109.9P381P381-L383 PolarHBondContact O-N 3Å
384S28.5Very low32.7Very low106 Ų106128.7 Ų128.774%0.74176%0.761SS**  trans-144.1157.2163.33.40000109.4
385P28.7Very low32.1Very low113 Ų113124.3 Ų124.373%0.73477%0.765SS**  -90.2175.6-125.4-4.523.9000115.6S387P385-S387 PolarHBondContact O-N 2.91Å
386P30.5Very low31.4Very low125 Ų125125.8 Ų125.881%0.81278%0.777SS**  trans-73127.4-17131.7-32000110.4
387S28.5Very low30.7Very low116 Ų116131.5 Ų131.581%0.81180%0.797SS**  trans-105.3131.3167.1-58.60000108.7P385P385-S387 PolarHBondContact O-N 2.91Å
388Y31Very low30.6Very low216 Ų216130.5 Ų130.585%0.84780%0.799SS**  trans-50.4137.3-169.2-85.9-106.9000115.5
389T27.8Very low30.5Very low131 Ų131131.6 Ų131.680%0.80480%0.801SS**  trans-75128.7168.1-460000110.6
390F29.6Very low30.5Very low186 Ų186135 Ų13582%0.81681%0.807SS**  trans-117.5132157.3-81.1-81.5000109
391P31.3Very low30.3Very low117 Ų117133.9 Ų133.976%0.7681%0.808SS**PPolyproline II helixtrans-79.9141.4175.731.2-32000111.5
392A29.2Very low29.9Very low93 Ų93131.8 Ų131.877%0.76980%0.801SS**PPolyproline II helixtrans-72.8145.517200000111.3
393P32.4Very low29.8Very low126 Ų126133.1 Ų133.182%0.81880%0.799SS**PPolyproline II helixtrans-82.8142.5174.432.1-30.4000112
394T30.1Very low29.4Very low146 Ų146134.8 Ų134.890%0.89679%0.794SS**PPolyproline II helixtrans-65.3127170.40.80000110.7
395A29.6Very low29.5Very low96 Ų96138.5 Ų138.579%0.79380%0.8SS**  trans-109.5129.1170.300000110.7
396V29.8Very low29.6Very low135 Ų135138.8 Ų138.882%0.81880%0.802SS**PPolyproline II helixtrans-85.4135.8-176.8178.80000109.3
397I30.4Very low29.4Very low159 Ų159137.9 Ų137.982%0.81580%0.798SS**PPolyproline II helixtrans-100.6131.5172.6-57.3172.7000108.6
398P29.4Very low29.5Very low117 Ų117141 Ų14176%0.7681%0.805SS**PPolyproline II helixtrans-101146.7158.810.59.5000112.6
399T29.6Very low29.4Very low135 Ų135137.8 Ų137.883%0.82880%0.801SS**PPolyproline II helixtrans-76.4140-174.6-30.80000113.5
400E29.4Very low29.3Very low184 Ų184139.4 Ų139.486%0.8681%0.805SS**  trans-170.8137.5132.1-131.8-178.2141.900113.5
401A28Very low29.3Very low91 Ų91137.5 Ų137.575%0.75280%0.803SS**  trans51.8140.914900000120.4
402A27.7Very low29.1Very low81 Ų81137.9 Ų137.967%0.66981%0.805SS**  cis-174.8135.2-1.100000107.9
403I27.9Very low29Very low143 Ų143145.7 Ų145.773%0.73382%0.815SS**  trans58.2108.2134.9-44.9176.7000119.9
404Y28.7Very low28.7Very low214 Ų214144.5 Ų144.584%0.83982%0.816SS**  162.5118.5110.4-110.8-80.6000109.3
405Q28.8Very low28.6Very low185 Ų185145.5 Ų145.586%0.86482%0.815SS**  trans-170.1138.7137.7-85.6-118.6-31.500109.5
406P30.8Very low28.4Very low119 Ų119149.5 Ų149.577%0.77382%0.817SS**  trans-86.2144.9-172.433.8-31.8000112.9
407S28Very low28.4Very low105 Ų105148.1 Ų148.173%0.73481%0.811SS**  trans-74.5143.4174.6-43.50000112.4
408L29.1Very low28.2Very low182 Ų182145.9 Ų145.995%0.95381%0.809SS**  trans-129.8115.5145-74.2178.7000109.6
409L29.1Very low27.9Very low148 Ų148146.7 Ų146.778%0.77581%0.812SS**  trans-73.5143.9167.1-79.9150.8000109.8
410L26.5Very low27.7Very low166 Ų166144.2 Ų144.287%0.86981%0.805SS**  -171.5123.4116.9-120.582.9000113.9
411N28.5Very low27.4Very low146 Ų146146.2 Ų146.278%0.78181%0.807SS**  trans18.7144.6154.6-77.2-1.7000125.7
412P27.9Very low27.3Very low124 Ų124152 Ų15281%0.80581%0.81SS**  trans-85.715017436.2-34.3000112.9
413R27.2Very low27.2Very low257 Ų257153.8 Ų153.897%0.9782%0.815SS**  trans-132.4141.3166.7-129178.1-177.5165.60.6111.4
414A26.8Very low27.3Very low102 Ų102151.9 Ų151.984%0.84382%0.821SS**  trans-77.3153.6-16400000115.3
415L27Very low27.3Very low167 Ų167144.9 Ų144.987%0.87481%0.814SS**  trans-68.7151174.5-81.2148.2000113.8
416Q24.9Very low27.3Very low179 Ų179143 Ų14384%0.83682%0.815SS**  trans-135.7141.6155.6-77.7-68.6-23.300108.7
417P31.5Very low27.3Very low107 Ų107144.1 Ų144.170%0.69581%0.81SS**  trans-108.1171-17239-31.7000115.7
418S24.8Very low27.4Very low111 Ų111147.7 Ų147.778%0.77682%0.82SS**  trans98.2132.7162.2-35.20000115
419T23.7Very low27.4Very low134 Ų134147.3 Ų147.382%0.82281%0.811SS**  cis-164.2137.637.4-46.40000109.2
420A24.8Very low27.5Very low83 Ų83147.7 Ų147.769%0.68681%0.811SS**  trans-114.8118.7171.900000111.1
421Y23.4Very low27.6Very low227 Ų227145.5 Ų145.589%0.8980%0.8SS**  trans-85.3131.3171.1-133.9-97.3000108.1
422Y25.8Very low27.9Very low211 Ų211144.8 Ų144.883%0.82779%0.787SS**  trans-117.9126.3170.5-85.3-82.1000110.2
423P26.6Very low28.3Very low119 Ų119143.2 Ų143.277%0.77378%0.775SS**PPolyproline II helixtrans-82.8145.816533.1-28.6000110.5
424A29.6Very low28.5Very low104 Ų104135 Ų13586%0.8676%0.763SS**PPolyproline II helixtrans-72.7130.9-175.200000112.8
425G29.1Very low28.8Very low67 Ų67138.3 Ų138.369%0.69176%0.755SS**PPolyproline II helixtrans-89.6129.4165.400000111.1Q427G425-Q427 PolarHBondContact O-N 3.19Å
426T29.2Very low28.9Very low145 Ų145133.5 Ų133.589%0.8973%0.725SS**  trans-58.7114.6-172.6-39.20000113.5
427Q30.7Very low29.2Very low143 Ų143129 Ų12967%0.66871%0.712SS**  trans-94.7126.8169.1-70.3-108.4-24.500109.6G425 F429G425-Q427 PolarHBondContact O-N 3.19Å; Q427-F429 VanDerWaalsContact C-N 3.32Å; Q427-F429 HydrophobicContact CB-CD2 3.6Å; Q427-F429 HydrophobicContact CB-CE2 3.58Å; Q427-F429 HydrophobicContact CG-CE2 4.1Å; Q427-F429 PolarHBondContact O-N 3.19Å
428L29.3Very low29.1Very low180 Ų180128.8 Ų128.894%0.94271%0.712SS**  trans-76.983.8169.3-72.4168.9000109.3
429F28.8Very low29.1Very low174 Ų174131.8 Ų131.876%0.76372%0.716SS**  trans-82.5119.9166.3-82.7-85.6000109.7Q427Q427-F429 VanDerWaalsContact C-N 3.32Å; Q427-F429 HydrophobicContact CB-CD2 3.6Å; Q427-F429 HydrophobicContact CB-CE2 3.58Å; Q427-F429 HydrophobicContact CG-CE2 4.1Å; Q427-F429 PolarHBondContact O-N 3.19Å
430M31Very low29.3Very low155 Ų155133.6 Ų133.676%0.76472%0.716SS**  trans-87.4124.2158.2-103-69.8177.800108.5Y432M430-Y432 WeakPolarHBondContact O-CD2 3.41Å; M430-Y432 PolarHBondContact O-N 3.44Å
431N28.8Very low29.6Very low120 Ų120135.4 Ų135.464%0.64272%0.72SS**  trans-79.8107.4-177.9-159.7-18.1000109.3T433N431-T433 VanDerWaalsContact CG-OG1 3.27Å; N431-T433 PolarHBondContact O-N 2.75Å; N431-T433 VanDerWaalsContact O-N 3.16Å; N431-T433 PolarHBondContact OD1-OG1 3.24Å
432Y36.1Very low29.8Very low131 Ų131135.5 Ų135.551%0.51472%0.719SS.*G310 helixtrans-73.31-174.7-75-85.5000114.6M430 A434 Y435M430-Y432 WeakPolarHBondContact O-CD2 3.41Å; M430-Y432 PolarHBondContact O-N 3.44Å; Y432-A434 PolarHBondContact O-N 3.46Å; Y432-Y435 PolarHBondContact O-N 3.01Å
433T35Very low29.9Very low91 Ų91133.5 Ų133.556%0.55872%0.719SS**G310 helixtrans-63.4-20.3174.131.80000113.3N431 Y435N431-T433 VanDerWaalsContact CG-OG1 3.27Å; N431-T433 PolarHBondContact O-N 2.75Å; N431-T433 VanDerWaalsContact O-N 3.16Å; N431-T433 PolarHBondContact OD1-OG1 3.24Å; T433-Y435 VanDerWaalsContact C-N 3.32Å; T433-Y435 PolarHBondContact O-N 3.11Å
434A32.1Very low30Very low85 Ų85134 Ų13470%0.70272%0.715SS**G310 helixtrans-76.2-9.7-178.200000115.3Y432Y432-A434 PolarHBondContact O-N 3.46Å
435Y33.1Very low30Very low172 Ų172137 Ų13768%0.67572%0.716SS**G310 helixtrans-109.75-175.5-71.3-82.7000114.5Y432 T433Y432-Y435 PolarHBondContact O-N 3.01Å; T433-Y435 VanDerWaalsContact C-N 3.32Å; T433-Y435 PolarHBondContact O-N 3.11Å
436Y29.2Very low29.8Very low66 Ų66144.3 Ų144.326%0.25972%0.724SS.*SBendtrans-94.1120.6174.3-79.7-88.6000110H310 V312 S438H310-Y436 VanDerWaalsContact C-OH 3.29Å; H310-Y436 VanDerWaalsContact CA-CZ 3.47Å; H310-Y436 VanDerWaalsContact CA-OH 3.22Å; H310-Y436 WeakPolarHBondContact CA-OH 3.14Å; H310-Y436 HydrophobicContact CB-CE1 4.47Å; H310-Y436 HydrophobicContact CB-CE2 3.96Å; H310-Y436 AromaticContact CE1-CD1 3.94Å; H310-Y436 AromaticContact CE1-CD2 3.73Å; H310-Y436 AromaticContact CE1-CG 3.57Å; H310-Y436 AromaticContact CG-CE2 3.94Å; H310-Y436 AromaticContact ND1-CD1 3.41Å; H310-Y436 WeakPolarHBondContact ND1-CD1 3.46Å; H310-Y436 AromaticContact ND1-CD2 3.06Å; H310-Y436 WeakPolarHBondContact ND1-CD2 3.3Å; H310-Y436 AromaticContact ND1-CE1 3.54Å; H310-Y436 AromaticContact ND1-CE2 3.19Å; H310-Y436 WeakPolarHBondContact ND1-CE2 3.32Å; H310-Y436 AromaticContact ND1-CG 3.19Å; H310-Y436 AromaticContact ND1-CZ 3.46Å; H310-Y436 PolarHBondContact O-OH 3.06Å; V312-Y436 PolarHBondContact O-OH 3.19Å; Y436-S438 PolarHBondContact O-N 2.96Å
437P30.8Very low29.8Very low84 Ų84142.9 Ų142.955%0.54572%0.715SS.*  trans-57.5128.9164.7-17.329000108.6M439P437-M439 PolarHBondContact O-N 3.5Å; P437-M439 VanDerWaalsContact O-N 3.11Å
438S28.3Very low29.7Very low102 Ų102143.9 Ų143.971%0.71372%0.72SS**  trans-61.3114.9179.561.60000110.3Y436 Q440Y436-S438 PolarHBondContact O-N 2.96Å; S438-Q440 PolarHBondContact O-N 2.87Å; S438-Q440 VanDerWaalsContact O-N 3.15Å
439M26.6Very low29.6Very low174 Ų174142.6 Ų142.686%0.85771%0.711SS**  trans-79.392.6168.5-70.9-72.5155.400108.4P437P437-M439 PolarHBondContact O-N 3.5Å; P437-M439 VanDerWaalsContact O-N 3.11Å
440Q28.1Very low29.6Very low173 Ų173140.7 Ų140.781%0.80871%0.714SS**  trans-76.7127.2166.1-79.8179.3-17.800109.2S438 R442S438-Q440 PolarHBondContact O-N 2.87Å; S438-Q440 VanDerWaalsContact O-N 3.15Å; Q440-R442 PolarHBondContact O-N 3.2Å
441P30.4Very low29.4Very low120 Ų120144.7 Ų144.778%0.77972%0.721SS**  trans-66.8123.4169.9-14.428.5000109.6M443P441-M443 PolarHBondContact O-N 2.99Å; P441-M443 VanDerWaalsContact O-N 3.14Å
442R27.1Very low30.2Very low229 Ų229144.9 Ų144.986%0.86473%0.728SS**  trans-67.7103.9167.9-167.3178.9-173.9162.92.7107.9Q440Q440-R442 PolarHBondContact O-N 3.2Å
443M27.7Very low29.8Very low169 Ų169141.8 Ų141.883%0.83374%0.736SS**  trans-100.5112.9164.7-93.9-71.3172.100108.3P441P441-M443 PolarHBondContact O-N 2.99Å; P441-M443 VanDerWaalsContact O-N 3.14Å
444D29.5Very low29.6Very low130 Ų130146 Ų14670%0.69575%0.754SS**  trans-66123.7165.6-69.6-47.9000109.1
445L28.5Very low29.4Very low166 Ų166152.4 Ų152.487%0.86976%0.762SS**  trans-145118.2155.9-120.8116.5000110.7
446Y26.3Very low30.3Very low221 Ų221148.8 Ų148.887%0.86776%0.759SS**  trans-59.5131.7164.6-87.8-104.4000110.4
447T28.6Very low30.5Very low115 Ų115154.3 Ų154.371%0.70679%0.785SS**  165.4119.1117.3-69.60000111.2
448Q28.5Very low30.5Very low165 Ų165157.2 Ų157.277%0.77180%0.796SS**  trans35.7132.8146.6-58.9177.69.500118.4
449M27.5Very low30.7Very low153 Ų153155.5 Ų155.575%0.75479%0.793SS**  -178.814559.3-134.6-179.6-65.700110.4
450T28.7Very low30.9Very low133 Ų133157.1 Ų157.182%0.81680%0.796SS**  trans67.5118.215229.20000123.6
451R27.1Very low31.3Very low240 Ų240154.6 Ų154.691%0.90679%0.792SS**  trans-49.3-176.2160.7-80.5-176.7176.6-176.3-0.3116
452P44.7Very low31.4Very low124 Ų124156.8 Ų156.881%0.80579%0.79SS**  cis-139177.8-41.737.7-20.7000113.1
453G29Very low31.8Very low65 Ų65154.4 Ų154.467%0.6779%0.786SS**  trans153.5114.1147.400000119.7
454L30.1Very low32.3Very low180 Ų180149.7 Ų149.794%0.94278%0.78SS**  trans79.5105.1137.4-67.7152.5000121.4
455Y27.2Very low33.3Very low220 Ų220149.7 Ų149.786%0.86379%0.787SS**  trans-62176.9141.5-87.4-72.2000112.2
456P52.3Low34.1Very low95 Ų95147.1 Ų147.162%0.61778%0.783SS**  cis-144.9-169.7-16.732.4-8.9000115.7
457K33.1Very low35Very low183 Ų183146.2 Ų146.280%0.79681%0.809SS**  trans99.2144.5131.1-96.5176.8-167-1750121.6
458N31.8Very low35.3Very low145 Ų145147.8 Ų147.878%0.77581%0.814SS**  trans91.8118.7164.5-52.9-16.8000114.9
459G31.3Very low35.7Very low65 Ų65146.8 Ų146.867%0.6782%0.816SS**  cis91.792.116.900000111.1
460F32.2Very low36.1Very low209 Ų209146.5 Ų146.592%0.91782%0.82SS**  trans-159.7128.2156.2-97.1-73.8000112.2
461V36.2Very low36.6Very low119 Ų119147.3 Ų147.372%0.72182%0.82SS**  trans-96152.3164.3164.70000107
462F32.8Very low37.1Very low166 Ų166141.5 Ų141.573%0.72882%0.815SS**  176.8132.4127.3-109.8-98.2000114.3
463K33.8Very low36.6Very low180 Ų180142.7 Ų142.778%0.78382%0.816SS**  trans34.3129.2143.7-72.2-175.1-178173.40121.8
464G38.3Very low37.2Very low69 Ų69148.2 Ų148.271%0.71183%0.826SS**  trans-84.9-174.2151.100000113.1
465P51.7Low37.7Very low131 Ų131145.8 Ų145.885%0.85182%0.817SS**  trans-127.7148.6156.735.2-20.5000113.4
466S45.3Very low38.6Very low111 Ų111139.6 Ų139.678%0.77681%0.813SS**  trans-77.1143.5163.841.20000111.9
467S44.5Very low37.4Very low202 Ų202143.6 Ų143.6100%1.41383%0.831SS**  trans-160.40135.7-68.50000107.8

Retrieved 467 of 467 residues in 157.7 ms (Link to these results)

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