A0A087XB90_POEFO Loading...

WD repeat domain 73

AlphaFold DB , UniProt , Accession A0A087XB90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 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
1M45.8Very low55.7Low211 Ų211106.8 Ų106.8100%1.03958%0.58SS**  0-12.20-121.3-167.6-75.400113.7
2M45.6Very low57.1Low163 Ų163105.8 Ų105.880%0.80357%0.574SS**  trans-83.3-33.4170.7-76.3176.8-174.100113.5E4 T5M2-E4 PolarHBondContact O-N 3.47Å; M2-T5 PolarHBondContact O-OG1 3.13Å
3G46.1Very low58.3Low53 Ų53103.8 Ų103.855%0.54656%0.561SS.*Hα-helixtrans-79.6-8.8-176.800000117A7G3-A7 WeakPolarHBondContact O-CB 3.42Å
4E48.4Very low59.2Low145 Ų14599.2 Ų99.268%0.67854%0.536SS*.Hα-helixtrans-83-34.2174.7-76.5174.916400111.4M2 V8M2-E4 PolarHBondContact O-N 3.47Å; E4-V8 VanDerWaalsContact O-CG2 3.25Å; E4-V8 WeakPolarHBondContact O-CG2 3.46Å; E4-V8 PolarHBondContact O-N 3.45Å
5T55.3Low60.2Low84 Ų8499.2 Ų99.252%0.51554%0.535SS..Hα-helixtrans-70.5-41.5176.518.80000112.8M2 V8 E9M2-T5 PolarHBondContact O-OG1 3.13Å; T5-V8 PolarHBondContact O-N 2.91Å; T5-E9 WeakPolarHBondContact O-CG 3.5Å; T5-E9 PolarHBondContact O-N 3.3Å; T5-E9 VanDerWaalsContact O-N 3.08Å
6E58.5Low61.5Low124 Ų12499.5 Ų99.558%0.57954%0.537SS*.Hα-helixtrans-67.5-36177.1-72.2175.5168.200112.2E9 I10E6-E9 PolarHBondContact O-N 2.95Å; E6-I10 WeakPolarHBondContact O-CD1 3.41Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 2.93Å; E6-I10 VanDerWaalsContact O-N 3.07Å
7A59.9Low62.8Low48 Ų4896.3 Ų96.340%0.39752%0.515SS..Hα-helixtrans-66-40.7176.200000112.2G3 I10 D11G3-A7 WeakPolarHBondContact O-CB 3.42Å; A7-I10 PolarHBondContact O-N 2.82Å; A7-D11 PolarHBondContact O-N 2.88Å; A7-D11 VanDerWaalsContact O-N 3.1Å
8V61.8Low63.8Low83 Ų8397.4 Ų97.450%0.50352%0.515SS..Hα-helixtrans-66-39.5175.7173.40000111.2E4 T5 D11 D12E4-V8 VanDerWaalsContact O-CG2 3.25Å; E4-V8 WeakPolarHBondContact O-CG2 3.46Å; E4-V8 PolarHBondContact O-N 3.45Å; T5-V8 PolarHBondContact O-N 2.91Å; V8-D11 PolarHBondContact O-N 3.42Å; V8-D12 VanDerWaalsContact O-CG 3.31Å; V8-D12 PolarHBondContact O-N 3.43Å
9E63.3Low64.7Low122 Ų12297 Ų9757%0.5751%0.512SS*.Hα-helixtrans-65.4-36.9176.6-75.3178.2-176.700112.8T5 E6 I13T5-E9 WeakPolarHBondContact O-CG 3.5Å; T5-E9 PolarHBondContact O-N 3.3Å; T5-E9 VanDerWaalsContact O-N 3.08Å; E6-E9 PolarHBondContact O-N 2.95Å; E9-I13 WeakPolarHBondContact O-CD1 3.45Å; E9-I13 WeakPolarHBondContact O-CG1 3.36Å; E9-I13 PolarHBondContact O-N 3.28Å; E9-I13 VanDerWaalsContact O-N 3.13Å
10I63Low65.6Low49 Ų4998.2 Ų98.225%0.25152%0.515SS..Hα-helixtrans-68.9-43.9176.5-67.5161.8000110.9E6 A7 D12 I13 L14 Q332E6-I10 WeakPolarHBondContact O-CD1 3.41Å; E6-I10 VanDerWaalsContact O-CG1 3.3Å; E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 2.93Å; E6-I10 VanDerWaalsContact O-N 3.07Å; A7-I10 PolarHBondContact O-N 2.82Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.13Å; I10-I13 PolarHBondContact O-N 3.48Å; I10-L14 WeakPolarHBondContact O-CG 3.25Å; I10-L14 PolarHBondContact O-N 2.85Å; I10-Q332 HydrophobicContact CG2-CB 4.19Å
11D65.5Low66.5Low93 Ų9394.1 Ų94.150%0.49749%0.494SS..Hα-helixtrans-61.9-41177.3-78.3-11000111.3A7 V8 I13 L14 D15A7-D11 PolarHBondContact O-N 2.88Å; A7-D11 VanDerWaalsContact O-N 3.1Å; V8-D11 PolarHBondContact O-N 3.42Å; D11-I13 PolarHBondContact O-N 2.92Å; D11-L14 WeakPolarHBondContact O-CB 3.44Å; D11-L14 PolarHBondContact O-N 3.45Å; D11-D15 PolarHBondContact O-N 3.46Å
12D72.4Confident68.2Low94 Ų9489.7 Ų89.750%0.50347%0.474SS..Hα-helixtrans-63.2-41.6175.7-73.8-20000111.8V8 I10 L14 D15 D16V8-D12 VanDerWaalsContact O-CG 3.31Å; V8-D12 PolarHBondContact O-N 3.43Å; I10-D12 VanDerWaalsContact C-N 3.33Å; I10-D12 PolarHBondContact O-N 3.13Å; D12-L14 PolarHBondContact O-N 3.07Å; D12-D15 PolarHBondContact O-N 2.96Å; D12-D16 WeakPolarHBondContact O-CB 3.41Å; D12-D16 PolarHBondContact O-N 3.33Å
13I72.5Confident70.1Confident81 Ų8189 Ų8942%0.41547%0.467SS..Hα-helixtrans-63.7-40.2176.8-70.2164.1000111.5E9 I10 D11 W17E9-I13 WeakPolarHBondContact O-CD1 3.45Å; E9-I13 WeakPolarHBondContact O-CG1 3.36Å; E9-I13 PolarHBondContact O-N 3.28Å; E9-I13 VanDerWaalsContact O-N 3.13Å; I10-I13 PolarHBondContact O-N 3.48Å; D11-I13 PolarHBondContact O-N 2.92Å; I13-W17 WeakPolarHBondContact O-CB 3.29Å; I13-W17 PolarHBondContact O-N 3.27Å
14L70.5Confident72.1Confident39 Ų3988.7 Ų88.720%0.20446%0.456CS..Hα-helixtrans-64.2-46.1175.8-71.6-177.6000111.8I10 D11 D12 W17 F18 V329 H333I10-L14 WeakPolarHBondContact O-CG 3.25Å; I10-L14 PolarHBondContact O-N 2.85Å; D11-L14 WeakPolarHBondContact O-CB 3.44Å; D11-L14 PolarHBondContact O-N 3.45Å; D12-L14 PolarHBondContact O-N 3.07Å; L14-W17 PolarHBondContact O-N 3.32Å; L14-F18 VanDerWaalsContact O-CB 3.23Å; L14-F18 WeakPolarHBondContact O-CB 3.25Å; L14-F18 PolarHBondContact O-N 2.76Å; L14-V329 HydrophobicContact CD2-CG1 3.49Å; L14-V329 VanDerWaalsContact CD2-CG1 3.49Å; L14-V329 WeakPolarHBondContact CD2-O 3.29Å; L14-H333 WeakPolarHBondContact CD1-CE1 3.42Å; L14-H333 WeakPolarHBondContact CD1-NE2 3.31Å
15D74.8Confident74.1Confident99 Ų9982.8 Ų82.853%0.52943%0.428SS..Hα-helixtrans-64.8-43.1-177.2-85.7-9.1000110.6D11 D12 F18 I19D11-D15 PolarHBondContact O-N 3.46Å; D12-D15 PolarHBondContact O-N 2.96Å; D15-F18 PolarHBondContact O-N 3.1Å; D15-I19 VanDerWaalsContact O-CG1 3.23Å; D15-I19 WeakPolarHBondContact O-CG1 3.19Å; D15-I19 PolarHBondContact O-N 3.18Å
16D81Confident75.7Confident104 Ų10485 Ų8556%0.55643%0.43SS*.Hα-helixtrans-60.8-49.4174.3-81.4-14.9000111.2D12 F18 I19 E20D12-D16 WeakPolarHBondContact O-CB 3.41Å; D12-D16 PolarHBondContact O-N 3.33Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 2.88Å; D16-I19 PolarHBondContact O-N 3.06Å; D16-E20 WeakPolarHBondContact O-CG 3.25Å; D16-E20 PolarHBondContact O-N 3.5Å
17W83.6Confident77.2Confident45 Ų4579.9 Ų79.917%0.1741%0.407CS..Hα-helixtrans-63-39.4177.7-179.382.8000112.2I13 L14 E20 S21 Y25 L28 V329I13-W17 WeakPolarHBondContact O-CB 3.29Å; I13-W17 PolarHBondContact O-N 3.27Å; L14-W17 PolarHBondContact O-N 3.32Å; W17-E20 PolarHBondContact O-N 2.91Å; W17-S21 VanDerWaalsContact O-CB 3.3Å; W17-S21 WeakPolarHBondContact O-CB 3.5Å; W17-S21 PolarHBondContact O-N 2.88Å; W17-Y25 HydrophobicContact CZ2-CE2 4.47Å; W17-L28 HydrophobicContact CH2-CD2 3.77Å; W17-L28 HydrophobicContact CZ2-CD2 4.33Å; W17-V329 HydrophobicContact CB-CG1 3.93Å; W17-V329 HydrophobicContact CB-CG2 4.31Å; W17-V329 HydrophobicContact CD2-CB 4.2Å; W17-V329 HydrophobicContact CD2-CG1 3.9Å; W17-V329 HydrophobicContact CD2-CG2 4.25Å; W17-V329 HydrophobicContact CE3-CG1 3.98Å; W17-V329 HydrophobicContact CG-CB 4.23Å; W17-V329 HydrophobicContact CG-CG1 3.86Å; W17-V329 HydrophobicContact CG-CG2 3.85Å
18F79.7Confident78.7Confident116 Ų11680.1 Ų80.151%0.50940%0.401SS..Hα-helixtrans-61.6-46.6177178.3-103.4000110.5L14 D15 D16 E20 S21 L22L14-F18 VanDerWaalsContact O-CB 3.23Å; L14-F18 WeakPolarHBondContact O-CB 3.25Å; L14-F18 PolarHBondContact O-N 2.76Å; D15-F18 PolarHBondContact O-N 3.1Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 2.88Å; F18-E20 VanDerWaalsContact C-N 3.35Å; F18-E20 PolarHBondContact O-N 3.16Å; F18-S21 WeakPolarHBondContact O-CB 3.33Å; F18-S21 PolarHBondContact O-N 3.4Å; F18-S21 PolarHBondContact O-OG 3.41Å; F18-L22 HydrophobicContact CE1-CD1 4.15Å; F18-L22 HydrophobicContact CZ-CD2 4.42Å; F18-L22 WeakPolarHBondContact O-CG 3.46Å; F18-L22 PolarHBondContact O-N 3.49Å
19I81.5Confident80.1Confident90 Ų9077.1 Ų77.146%0.46238%0.381SS..Hα-helixtrans-62.3-41.9176.9-67.8165.7000111.2D15 D16 S21 L22D15-I19 VanDerWaalsContact O-CG1 3.23Å; D15-I19 WeakPolarHBondContact O-CG1 3.19Å; D15-I19 PolarHBondContact O-N 3.18Å; D16-I19 PolarHBondContact O-N 3.06Å; I19-S21 VanDerWaalsContact C-N 3.34Å; I19-L22 PolarHBondContact O-N 2.66Å
20E82.6Confident81.3Confident121 Ų12174.8 Ų74.857%0.56538%0.376SS*.Hα-helixtrans-64.9-38.4175.2-73.3-17316800112.2D16 W17 F18 L22 K23 S24D16-E20 WeakPolarHBondContact O-CG 3.25Å; D16-E20 PolarHBondContact O-N 3.5Å; W17-E20 PolarHBondContact O-N 2.91Å; F18-E20 VanDerWaalsContact C-N 3.35Å; F18-E20 PolarHBondContact O-N 3.16Å; E20-L22 PolarHBondContact O-N 2.75Å; E20-K23 PolarHBondContact O-N 2.65Å; E20-S24 WeakPolarHBondContact O-CB 3.38Å; E20-S24 PolarHBondContact O-N 3.14Å; E20-S24 PolarHBondContact O-OG 2.89Å; E20-S24 VanDerWaalsContact O-OG 3.1Å
21S84.2Confident82.7Confident12 Ų1275.1 Ų75.18%0.08437%0.374CS..Hα-helixtrans-60.4-34.6179.981.70000111.8W17 F18 I19 K23 S24 Y25W17-S21 VanDerWaalsContact O-CB 3.3Å; W17-S21 WeakPolarHBondContact O-CB 3.5Å; W17-S21 PolarHBondContact O-N 2.88Å; F18-S21 WeakPolarHBondContact O-CB 3.33Å; F18-S21 PolarHBondContact O-N 3.4Å; F18-S21 PolarHBondContact O-OG 3.41Å; I19-S21 VanDerWaalsContact C-N 3.34Å; S21-K23 PolarHBondContact O-N 2.76Å; S21-S24 PolarHBondContact O-N 3.45Å; S21-Y25 WeakPolarHBondContact O-CD2 3.4Å; S21-Y25 PolarHBondContact O-N 3.36Å
22L82.2Confident84.1Confident119 Ų11976 Ų7662%0.62338%0.375SS*.Hα-helixtrans-63.7-22.2176.8-64.2175.7000113.5F18 I19 E20F18-L22 HydrophobicContact CE1-CD1 4.15Å; F18-L22 HydrophobicContact CZ-CD2 4.42Å; F18-L22 WeakPolarHBondContact O-CG 3.46Å; F18-L22 PolarHBondContact O-N 3.49Å; I19-L22 PolarHBondContact O-N 2.66Å; E20-L22 PolarHBondContact O-N 2.75Å
23K85.9Confident85.1Confident149 Ų14972 Ų7265%0.64835%0.354SS*.Hα-helixtrans-98.8-31.7178.3-61.5175.7-174.2167.30112.2E20 S21E20-K23 PolarHBondContact O-N 2.65Å; S21-K23 PolarHBondContact O-N 2.76Å
24S87.8Confident86Confident46 Ų4675.2 Ų75.232%0.32237%0.367SS..Hα-helixtrans-88.6-26.1-171-64.20000113.4E20 S21 W369 V370E20-S24 WeakPolarHBondContact O-CB 3.38Å; E20-S24 PolarHBondContact O-N 3.14Å; E20-S24 PolarHBondContact O-OG 2.89Å; E20-S24 VanDerWaalsContact O-OG 3.1Å; S21-S24 PolarHBondContact O-N 3.45Å; S24-W369 WeakPolarHBondContact O-CA 3.46Å; S24-V370 PolarHBondContact O-N 3.07Å
25Y90.9Very high86.9Confident21 Ų2176.5 Ų76.58%0.08237%0.372CS..EExtended strand (participates in β ladder)trans-114.3136.9-178.8-59-86.2000112.4W17 S21 L28 F322 H324 W367 D368W17-Y25 HydrophobicContact CZ2-CE2 4.47Å; S21-Y25 WeakPolarHBondContact O-CD2 3.4Å; S21-Y25 PolarHBondContact O-N 3.36Å; Y25-L28 HydrophobicContact CD2-CD2 4.29Å; Y25-L28 HydrophobicContact CE2-CD2 4.48Å; Y25-L28 HydrophobicContact CG-CB 4.27Å; Y25-F322 HydrophobicContact CD1-CZ 4.13Å; Y25-F322 AromaticContact CE1-CE1 3.83Å; Y25-F322 HydrophobicContact CE1-CE1 3.83Å; Y25-F322 AromaticContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE1-CZ 3.48Å; Y25-F322 VanDerWaalsContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE2-CZ 4.26Å; Y25-F322 AromaticContact CZ-CZ 3.54Å; Y25-H324 AromaticContact CE1-ND1 3.62Å; Y25-H324 AromaticContact CZ-ND1 3.49Å; Y25-H324 WeakPolarHBondContact OH-CA 3.21Å; Y25-H324 PolarHBondContact OH-ND1 3.19Å; Y25-W367 HydrophobicContact CD1-CB 3.97Å; Y25-W367 HydrophobicContact CD1-CE3 4.31Å; Y25-W367 HydrophobicContact CE1-CB 4.02Å; Y25-W367 HydrophobicContact CE1-CD2 4.19Å; Y25-W367 AromaticContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CG 4.32Å; Y25-D368 CarbonylContact C-O 3.57Å; Y25-D368 WeakPolarHBondContact CA-O 3.38Å
26K89Confident87.8Confident131 Ų13173.6 Ų73.657%0.5736%0.359SS*.EExtended strand (participates in β ladder)trans-79.5-41.6166.4-177.8-178.5177-179.60111.2D368 V370K26-D368 HydrophobicContact CB-CB 4.27Å; K26-D368 PolarHBondContact N-O 3.08Å; K26-V370 HydrophobicContact CB-CG2 4.43Å
27D88.8Confident88.5Confident16 Ų1668.8 Ų68.89%0.08633%0.333CS..EExtended strand (participates in β ladder)trans-141.4138.1175-63.7-80.9000108.1L69 K75 W367 D368D27-L69 HydrophobicContact CB-CD1 3.62Å; D27-K75 IonicContact OD1-NZ 3.02Å; D27-K75 PolarHBondContact OD1-NZ 3.36Å; D27-K75 IonicContact OD2-NZ 3.79Å; D27-K75 PolarHBondContact OD2-NZ 3.42Å; D27-W367 CarbonylContact O-C 3.57Å; D27-W367 VanDerWaalsContact O-CA 3.29Å; D27-W367 WeakPolarHBondContact O-CA 3.35Å; D27-D368 HydrophobicContact CB-CB 4.04Å; D27-D368 PolarHBondContact N-O 2.81Å; D27-D368 PolarHBondContact O-N 3.1Å
28L90.9Very high89Confident52 Ų5267.6 Ų67.627%0.27233%0.329SS..EExtended strand (participates in β ladder)trans-144.3119.5173.117362.1000107.8W17 Y25 W367W17-L28 HydrophobicContact CH2-CD2 3.77Å; W17-L28 HydrophobicContact CZ2-CD2 4.33Å; Y25-L28 HydrophobicContact CD2-CD2 4.29Å; Y25-L28 HydrophobicContact CE2-CD2 4.48Å; Y25-L28 HydrophobicContact CG-CB 4.27Å; L28-W367 HydrophobicContact CD1-CB 3.74Å
29H91Very high89.7Confident20 Ų2062.8 Ų62.89%0.09331%0.308CS..EExtended strand (participates in β ladder)trans-127.2135.3178.1-63.5-104.7000109.1P66 R81 H365 V366H29-P66 HydrophobicContact CB-CG 4Å; H29-R81 PolarHBondContact ND1-O 2.92Å; H29-H365 CarbonylContact O-C 3.53Å; H29-H365 VanDerWaalsContact O-CA 3.3Å; H29-H365 WeakPolarHBondContact O-CA 3.48Å; H29-V366 HydrophobicContact CB-CG1 3.64Å; H29-V366 PolarHBondContact N-O 3.3Å; H29-V366 PolarHBondContact O-N 3.13Å
30V90.5Very high90.5Very high74 Ų7458.7 Ų58.745%0.44829%0.288SS..EExtended strand (participates in β ladder)trans-118.4135.1-176.9177.10000108.2H365V30-H365 WeakPolarHBondContact CG1-NE2 3.37Å
31Y91.8Very high91.2Very high56 Ų5655.2 Ų55.222%0.2227%0.271CS..EExtended strand (participates in β ladder)trans-135.9144.7177.8-177.4-100.1000109.8L33 L63 F83 S363 V364Y31-L33 HydrophobicContact CD1-CD2 4.29Å; Y31-L33 HydrophobicContact CD1-CG 4.48Å; Y31-L33 HydrophobicContact CE1-CD2 3.81Å; Y31-L33 HydrophobicContact CE1-CG 4.39Å; Y31-L63 HydrophobicContact CE1-CD1 4.44Å; Y31-F83 VanDerWaalsContact CB-CD2 3.41Å; Y31-F83 HydrophobicContact CD1-CB 4.34Å; Y31-F83 HydrophobicContact CD2-CB 3.82Å; Y31-F83 HydrophobicContact CD2-CD2 4.2Å; Y31-F83 HydrophobicContact CD2-CG 4.37Å; Y31-F83 HydrophobicContact CE2-CB 4.08Å; Y31-F83 HydrophobicContact CG-CB 3.95Å; Y31-F83 AromaticContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CG 4.09Å; Y31-S363 CarbonylContact O-C 3.55Å; Y31-S363 WeakPolarHBondContact O-CA 3.44Å; Y31-V364 PolarHBondContact N-O 3.48Å; Y31-V364 PolarHBondContact O-N 3.33Å
32Q93.7Very high91.8Very high110 Ų11056.4 Ų56.451%0.51427%0.274SS..EExtended strand (participates in β ladder)trans-111.4118-179-176.761.751.700109.6D361 G362Q32-D361 PolarHBondContact NE2-O 2.89Å; Q32-G362 PolarHBondContact NE2-O 2.86Å
33L93.8Very high92.5Very high10 Ų1051.6 Ų51.65%0.05225%0.249CC..  trans-77.1153.6169.2-65.8169.1000110.5Y31 H35 T37 V50 L61 L63 G362 V364Y31-L33 HydrophobicContact CD1-CD2 4.29Å; Y31-L33 HydrophobicContact CD1-CG 4.48Å; Y31-L33 HydrophobicContact CE1-CD2 3.81Å; Y31-L33 HydrophobicContact CE1-CG 4.39Å; L33-H35 VanDerWaalsContact C-N 3.26Å; L33-H35 WeakPolarHBondContact CB-O 3.42Å; L33-T37 HydrophobicContact CD1-CG2 3.73Å; L33-V50 HydrophobicContact CD1-CG2 4.34Å; L33-V50 HydrophobicContact CD2-CG2 4.07Å; L33-L61 HydrophobicContact CD2-CD1 4.16Å; L33-L63 HydrophobicContact CD2-CD1 4.24Å; L33-G362 WeakPolarHBondContact CB-O 3.08Å; L33-G362 PolarHBondContact N-O 2.94Å; L33-V364 HydrophobicContact CD1-CG2 3.44Å; L33-V364 VanDerWaalsContact CD1-CG2 3.44Å; L33-V364 HydrophobicContact CG-CG2 3.78Å
34E91.1Very high92.8Very high149 Ų14947 Ų4770%0.69624%0.236SC*.SBendtrans-64.2-36.2169.8-175.9171.8169.600111.2
35H91Very high93Very high66 Ų6645.7 Ų45.731%0.30623%0.23SC..SBendtrans-131.5144.3177.6-62.5-32.8000111L33L33-H35 VanDerWaalsContact C-N 3.26Å; L33-H35 WeakPolarHBondContact CB-O 3.42Å
36P93Very high93.1Very high39 Ų3950.6 Ų50.625%0.25325%0.252SS..  trans-64.4153.3179.428.8-35.4000111.7Y53P36-Y53 VanDerWaalsContact C-CE1 3.48Å; P36-Y53 HydrophobicContact CB-CE1 3.92Å; P36-Y53 HydrophobicContact CG-CE1 4.07Å; P36-Y53 WeakPolarHBondContact O-CD1 3.33Å; P36-Y53 VanDerWaalsContact O-CE1 3.27Å; P36-Y53 WeakPolarHBondContact O-CE1 3.34Å
37T95.4Very high93.5Very high2 Ų245.2 Ų45.21%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-120.5147.9176.3-168.30000111.4L33 I39 V50 A51 Y53 T343 A358 V364L33-T37 HydrophobicContact CD1-CG2 3.73Å; T37-I39 PolarHBondContact OG1-N 2.93Å; T37-I39 PolarHBondContact OG1-O 2.7Å; T37-V50 HydrophobicContact CG2-CB 4.16Å; T37-V50 HydrophobicContact CG2-CG1 4.24Å; T37-A51 WeakPolarHBondContact CA-O 3.27Å; T37-A51 WeakPolarHBondContact CB-O 3.42Å; T37-A51 PolarHBondContact OG1-N 3.02Å; T37-A51 VanDerWaalsContact OG1-N 3.13Å; T37-A51 PolarHBondContact OG1-O 3.31Å; T37-Y53 VanDerWaalsContact C-CE1 3.44Å; T37-T343 VanDerWaalsContact O-CB 3.26Å; T37-T343 WeakPolarHBondContact O-CB 3.48Å; T37-T343 PolarHBondContact O-OG1 3.41Å; T37-A358 HydrophobicContact CG2-CB 3.59Å; T37-V364 HydrophobicContact CG2-CG2 4.5Å
38Q93.5Very high93.9Very high20 Ų2044.5 Ų44.59%0.09323%0.226CC..EExtended strand (participates in β ladder)trans-106.73170.1-89.2175.5-19.500112Y53 D281 T343 T344Q38-Y53 HydrophobicContact CB-CD1 3.89Å; Q38-Y53 HydrophobicContact CB-CE1 4.12Å; Q38-Y53 HydrophobicContact CB-CG 4.18Å; Q38-Y53 VanDerWaalsContact CD-CE2 3.41Å; Q38-Y53 HydrophobicContact CG-CD1 3.79Å; Q38-Y53 HydrophobicContact CG-CD2 4Å; Q38-Y53 HydrophobicContact CG-CE1 3.61Å; Q38-Y53 HydrophobicContact CG-CE2 3.83Å; Q38-Y53 HydrophobicContact CG-CG 3.98Å; Q38-D281 PolarHBondContact NE2-OD1 3Å; Q38-T343 HydrophobicContact CG-CG2 4.18Å; Q38-T344 WeakPolarHBondContact O-CB 3.47Å; Q38-T344 WeakPolarHBondContact O-CG2 3.46Å
39I95.2Very high94.2Very high15 Ų1542 Ų428%0.07721%0.213CC..EExtended strand (participates in β ladder)trans-138.4133.8-173.7-54153.1000109.8T37 E41 V50 V95 L98T37-I39 PolarHBondContact OG1-N 2.93Å; T37-I39 PolarHBondContact OG1-O 2.7Å; I39-E41 HydrophobicContact CG2-CB 4.4Å; I39-V50 WeakPolarHBondContact O-CA 3.46Å; I39-V95 HydrophobicContact CD1-CB 4.4Å; I39-V95 HydrophobicContact CD1-CG1 3.68Å; I39-V95 WeakPolarHBondContact CD1-O 3.43Å; I39-L98 HydrophobicContact CD1-CB 3.99Å; I39-L98 HydrophobicContact CG2-CB 3.9Å
40I97.8Very high94.6Very high5 Ų541.2 Ų41.23%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-127.4120.3163.9-56.5172.5000105.1V48 C49 V50 T344 V346 L356 A358I40-V48 HydrophobicContact CG2-CB 3.86Å; I40-V48 HydrophobicContact CG2-CG1 3.87Å; I40-V48 HydrophobicContact CG2-CG2 4.16Å; I40-C49 WeakPolarHBondContact CA-O 3.24Å; I40-V50 HydrophobicContact CG1-CG1 4.24Å; I40-T344 HydrophobicContact CD1-CG2 4.05Å; I40-T344 HydrophobicContact CG1-CG2 3.8Å; I40-V346 HydrophobicContact CB-CG1 4.06Å; I40-V346 HydrophobicContact CB-CG2 4.09Å; I40-V346 HydrophobicContact CG2-CG1 4.45Å; I40-V346 HydrophobicContact CG2-CG2 3.62Å; I40-V346 WeakPolarHBondContact O-CG1 3.32Å; I40-L356 HydrophobicContact CD1-CB 3.9Å; I40-L356 HydrophobicContact CG2-CB 4.26Å; I40-L356 HydrophobicContact CG2-CD2 4.01Å; I40-A358 HydrophobicContact CD1-CB 4.01Å; I40-A358 HydrophobicContact CG1-CB 4.48Å
41E97.9Very high94.9Very high48 Ų4837.8 Ų37.822%0.22419%0.189CC..EExtended strand (participates in β ladder)trans-125.2127.1-179.5173.866.8167.400109.6I39 T43 V48 C49 L98 T99 H100I39-E41 HydrophobicContact CG2-CB 4.4Å; E41-T43 PolarHBondContact O-N 2.86Å; E41-V48 CarbonylContact O-C 3.59Å; E41-V48 WeakPolarHBondContact O-CA 3.27Å; E41-C49 HydrophobicContact CB-CB 4.48Å; E41-C49 PolarHBondContact N-O 3.31Å; E41-C49 PolarHBondContact O-N 2.69Å; E41-L98 HydrophobicContact CB-CD2 3.67Å; E41-L98 HydrophobicContact CG-CD2 3.81Å; E41-T99 WeakPolarHBondContact OE1-CA 3.16Å; E41-H100 HydrophobicContact CG-CB 3.86Å; E41-H100 PolarHBondContact OE1-N 2.8Å
42W97.3Very high95.1Very high37 Ų3735.4 Ų35.414%0.1418%0.181CC..EExtended strand (participates in β ladder)trans-71126.7177.2-67.9103.2000111.1V48 L65 V346 W347 H348 P349 L356W42-V48 HydrophobicContact CD2-CG1 3.61Å; W42-V48 HydrophobicContact CE3-CG1 3.26Å; W42-V48 HydrophobicContact CG-CG1 4.31Å; W42-V48 HydrophobicContact CH2-CG1 4.05Å; W42-V48 HydrophobicContact CZ2-CG1 4.31Å; W42-V48 HydrophobicContact CZ3-CG1 3.53Å; W42-L65 HydrophobicContact CH2-CD1 3.75Å; W42-L65 HydrophobicContact CH2-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CD1 3.77Å; W42-L65 HydrophobicContact CZ3-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CG 4.31Å; W42-V346 HydrophobicContact CZ2-CG2 4.12Å; W42-W347 PolarHBondContact NE1-O 2.93Å; W42-H348 HydrophobicContact CH2-CB 4.23Å; W42-H348 AromaticContact CH2-CD2 3.41Å; W42-H348 VanDerWaalsContact CH2-CD2 3.41Å; W42-H348 WeakPolarHBondContact CH2-CD2 3.44Å; W42-H348 AromaticContact CH2-CG 3.95Å; W42-H348 VanDerWaalsContact CZ2-CA 3.44Å; W42-H348 HydrophobicContact CZ2-CB 3.94Å; W42-P349 HydrophobicContact CD2-CG 4.36Å; W42-L356 HydrophobicContact CH2-CD1 3.4Å; W42-L356 VanDerWaalsContact CH2-CD1 3.4Å; W42-L356 HydrophobicContact CZ2-CD1 3.47Å; W42-L356 VanDerWaalsContact CZ2-CD1 3.47Å
43T95.8Very high95Very high17 Ų1732.3 Ų32.310%0.10417%0.165CC..EExtended strand (participates in β ladder)trans-101.3-19.8169.160.30000111.8E41 T47 C49 E62 H100 L122E41-T43 PolarHBondContact O-N 2.86Å; T43-T47 PolarHBondContact N-O 2.85Å; T43-T47 WeakPolarHBondContact OG1-CB 3.4Å; T43-T47 PolarHBondContact OG1-O 3.5Å; T43-T47 PolarHBondContact OG1-OG1 3.44Å; T43-C49 HydrophobicContact CG2-CB 4.21Å; T43-C49 VanDerWaalsContact CG2-SG 3.51Å; T43-E62 VanDerWaalsContact CB-OE1 3.29Å; T43-E62 WeakPolarHBondContact CB-OE1 3.47Å; T43-E62 PolarHBondContact OG1-OE1 3Å; T43-H100 HydrophobicContact CG2-CB 4.22Å; T43-L122 HydrophobicContact CG2-CD1 3.83Å
44S93.2Very high94.8Very high52 Ų5234 Ų3436%0.36418%0.178SC..EExtended strand (participates in β ladder)trans-158.8179.4170.7770000110.1K46 T47S44-K46 PolarHBondContact O-N 2.87Å; S44-K46 PolarHBondContact OG-N 2.97Å; S44-T47 WeakPolarHBondContact CB-OG1 3.45Å; S44-T47 PolarHBondContact N-O 2.85Å; S44-T47 PolarHBondContact N-OG1 2.87Å; S44-T47 PolarHBondContact OG-N 2.86Å; S44-T47 VanDerWaalsContact OG-N 3.14Å; S44-T47 PolarHBondContact OG-OG1 2.82Å
45G91.5Very high94.5Very high19 Ų1933.3 Ų33.320%0.19619%0.189CC..THydrogen-bonded Turntrans-67.55.217000000115.1H348G45-H348 PolarHBondContact O-NE2 2.89Å; G45-H348 VanDerWaalsContact O-NE2 3.12Å
46K93.6Very high94.2Very high124 Ų12432.1 Ų32.154%0.53920%0.195SC..THydrogen-bonded Turntrans-135.6-10.3-176.9-59.3-176.6178.9177.80114S44 L65 L70S44-K46 PolarHBondContact O-N 2.87Å; S44-K46 PolarHBondContact OG-N 2.97Å; K46-L65 WeakPolarHBondContact O-CG 3.38Å; K46-L65 PolarHBondContact O-N 3.02Å; K46-L70 HydrophobicContact CB-CD1 3.89Å; K46-L70 HydrophobicContact CD-CD1 3.99Å; K46-L70 HydrophobicContact CG-CD1 3.75Å; K46-L70 HydrophobicContact CG-CD2 4.33Å
47T95.9Very high93.8Very high19 Ų1937.7 Ų37.712%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-135.6143.5-17252.50000110.7T43 S44 L63 C64T43-T47 PolarHBondContact N-O 2.85Å; T43-T47 WeakPolarHBondContact OG1-CB 3.4Å; T43-T47 PolarHBondContact OG1-O 3.5Å; T43-T47 PolarHBondContact OG1-OG1 3.44Å; S44-T47 WeakPolarHBondContact CB-OG1 3.45Å; S44-T47 PolarHBondContact N-O 2.85Å; S44-T47 PolarHBondContact N-OG1 2.87Å; S44-T47 PolarHBondContact OG-N 2.86Å; S44-T47 VanDerWaalsContact OG-N 3.14Å; S44-T47 PolarHBondContact OG-OG1 2.82Å; T47-L63 CarbonylContact C-O 3.54Å; T47-L63 WeakPolarHBondContact CA-O 3.49Å; T47-C64 HydrophobicContact CG2-CB 4.23Å
48V97.9Very high93.7Very high0 Ų037.6 Ų37.60%022%0.215CC..EExtended strand (participates in β ladder)trans-130.2144.1176.6-660000110.7I40 E41 W42 E62 L63 L356I40-V48 HydrophobicContact CG2-CB 3.86Å; I40-V48 HydrophobicContact CG2-CG1 3.87Å; I40-V48 HydrophobicContact CG2-CG2 4.16Å; E41-V48 CarbonylContact O-C 3.59Å; E41-V48 WeakPolarHBondContact O-CA 3.27Å; W42-V48 HydrophobicContact CD2-CG1 3.61Å; W42-V48 HydrophobicContact CE3-CG1 3.26Å; W42-V48 HydrophobicContact CG-CG1 4.31Å; W42-V48 HydrophobicContact CH2-CG1 4.05Å; W42-V48 HydrophobicContact CZ2-CG1 4.31Å; W42-V48 HydrophobicContact CZ3-CG1 3.53Å; V48-E62 CarbonylContact O-C 3.59Å; V48-E62 WeakPolarHBondContact O-CA 3.32Å; V48-L63 HydrophobicContact CG2-CB 4.19Å; V48-L63 PolarHBondContact N-O 3.42Å; V48-L63 PolarHBondContact O-N 3.11Å; V48-L356 HydrophobicContact CG1-CD2 4.04Å; V48-L356 HydrophobicContact CG2-CD2 3.9Å
49C98Very high93.8Very high0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-87.9136.4163-81.60000110.4I40 E41 T43 L61 L98I40-C49 WeakPolarHBondContact CA-O 3.24Å; E41-C49 HydrophobicContact CB-CB 4.48Å; E41-C49 PolarHBondContact N-O 3.31Å; E41-C49 PolarHBondContact O-N 2.69Å; T43-C49 HydrophobicContact CG2-CB 4.21Å; T43-C49 VanDerWaalsContact CG2-SG 3.51Å; C49-L61 CarbonylContact C-O 3.58Å; C49-L61 VanDerWaalsContact CA-O 3.24Å; C49-L61 WeakPolarHBondContact CA-O 3.34Å; C49-L98 HydrophobicContact CB-CD1 4.2Å; C49-L98 HydrophobicContact CB-CD2 3.77Å
50V97.9Very high93.9Very high4 Ų437.8 Ų37.82%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-123.8151.8167.3-61.20000109L33 T37 I39 I40 I60 L61 L63L33-V50 HydrophobicContact CD1-CG2 4.34Å; L33-V50 HydrophobicContact CD2-CG2 4.07Å; T37-V50 HydrophobicContact CG2-CB 4.16Å; T37-V50 HydrophobicContact CG2-CG1 4.24Å; I39-V50 WeakPolarHBondContact O-CA 3.46Å; I40-V50 HydrophobicContact CG1-CG1 4.24Å; V50-I60 WeakPolarHBondContact O-CA 3.46Å; V50-L61 HydrophobicContact CG2-CB 3.9Å; V50-L61 PolarHBondContact N-O 2.97Å; V50-L61 PolarHBondContact O-N 3.43Å; V50-L63 HydrophobicContact CG1-CD1 4.22Å; V50-L63 HydrophobicContact CG2-CD1 3.82Å; V50-L63 HydrophobicContact CG2-CG 4.17Å
51A97.5Very high93.9Very high2 Ų238.6 Ų38.62%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-142.8143.3179.500000113.5T37 E59 I60 V95 L98T37-A51 WeakPolarHBondContact CA-O 3.27Å; T37-A51 WeakPolarHBondContact CB-O 3.42Å; T37-A51 PolarHBondContact OG1-N 3.02Å; T37-A51 VanDerWaalsContact OG1-N 3.13Å; T37-A51 PolarHBondContact OG1-O 3.31Å; A51-E59 CarbonylContact C-O 3.43Å; A51-E59 VanDerWaalsContact CA-O 3.23Å; A51-E59 WeakPolarHBondContact CA-O 3.18Å; A51-I60 HydrophobicContact CB-CG1 4.15Å; A51-V95 HydrophobicContact CB-CB 3.59Å; A51-V95 HydrophobicContact CB-CG1 3.61Å; A51-V95 HydrophobicContact CB-CG2 4.05Å; A51-L98 HydrophobicContact CB-CD1 4.07Å
52G95.6Very high93.9Very high5 Ų536.5 Ų36.55%0.05221%0.21CC..EExtended strand (participates in β ladder)trans-73.3149174.700000112.6N58 E59 V95G52-N58 PolarHBondContact O-OD1 2.7Å; G52-E59 PolarHBondContact N-O 3.22Å; G52-V95 PolarHBondContact O-N 3.35Å
53Y93.2Very high93.8Very high45 Ų4534.8 Ų34.818%0.17620%0.203CC..  trans-13126.4-178.666.8-81000112.8P36 T37 Q38 N58P36-Y53 VanDerWaalsContact C-CE1 3.48Å; P36-Y53 HydrophobicContact CB-CE1 3.92Å; P36-Y53 HydrophobicContact CG-CE1 4.07Å; P36-Y53 WeakPolarHBondContact O-CD1 3.33Å; P36-Y53 VanDerWaalsContact O-CE1 3.27Å; P36-Y53 WeakPolarHBondContact O-CE1 3.34Å; T37-Y53 VanDerWaalsContact C-CE1 3.44Å; Q38-Y53 HydrophobicContact CB-CD1 3.89Å; Q38-Y53 HydrophobicContact CB-CE1 4.12Å; Q38-Y53 HydrophobicContact CB-CG 4.18Å; Q38-Y53 VanDerWaalsContact CD-CE2 3.41Å; Q38-Y53 HydrophobicContact CG-CD1 3.79Å; Q38-Y53 HydrophobicContact CG-CD2 4Å; Q38-Y53 HydrophobicContact CG-CE1 3.61Å; Q38-Y53 HydrophobicContact CG-CE2 3.83Å; Q38-Y53 HydrophobicContact CG-CG 3.98Å; Y53-N58 PolarHBondContact N-OD1 3.02Å; Y53-N58 VanDerWaalsContact N-OD1 3.15Å
54S89Confident93.8Very high46 Ų4635.1 Ų35.132%0.32221%0.206SC..SBendtrans-81.1165.817884.20000112.5G56 K57 N58S54-G56 PolarHBondContact O-N 2.91Å; S54-G56 PolarHBondContact OG-N 3.35Å; S54-G56 VanDerWaalsContact OG-N 3.11Å; S54-K57 PolarHBondContact OG-O 3.47Å; S54-N58 PolarHBondContact N-OD1 3.48Å; S54-N58 PolarHBondContact O-ND2 3.13Å; S54-N58 PolarHBondContact O-OD1 3.15Å; S54-N58 PolarHBondContact OG-OD1 3.12Å
55S83.8Confident93.8Very high134 Ų13432.8 Ų32.894%0.93719%0.19SC*.SBendtrans-74.9-6.5169.9560000113.9
56G84.9Confident93.8Very high41 Ų4131.9 Ų31.942%0.42318%0.18SC..SBendtrans-103-132.4-178.900000112S54 N58S54-G56 PolarHBondContact O-N 2.91Å; S54-G56 PolarHBondContact OG-N 3.35Å; S54-G56 VanDerWaalsContact OG-N 3.11Å; G56-N58 PolarHBondContact O-ND2 3.19Å; G56-N58 VanDerWaalsContact O-ND2 3.11Å
57K84.8Confident93.3Very high156 Ų15629.3 Ų29.368%0.67817%0.172SC*.  trans-75.4136175.1-69-175.6178.7-1780110S54S54-K57 PolarHBondContact OG-O 3.47Å
58N93.6Very high92.5Very high0 Ų031 Ų310%018%0.178CC..EExtended strand (participates in β ladder)trans-121.8110.5178.9-67.2-66000109.3G52 Y53 S54 G56 F90 S91 G93G52-N58 PolarHBondContact O-OD1 2.7Å; Y53-N58 PolarHBondContact N-OD1 3.02Å; Y53-N58 VanDerWaalsContact N-OD1 3.15Å; S54-N58 PolarHBondContact N-OD1 3.48Å; S54-N58 PolarHBondContact O-ND2 3.13Å; S54-N58 PolarHBondContact O-OD1 3.15Å; S54-N58 PolarHBondContact OG-OD1 3.12Å; G56-N58 PolarHBondContact O-ND2 3.19Å; G56-N58 VanDerWaalsContact O-ND2 3.11Å; N58-F90 CarbonylContact O-C 3.6Å; N58-F90 WeakPolarHBondContact O-CA 3.46Å; N58-S91 PolarHBondContact O-N 2.87Å; N58-G93 WeakPolarHBondContact CB-O 3.25Å; N58-G93 PolarHBondContact ND2-O 3.33Å
59E95.6Very high91.7Very high39 Ų3931 Ų3118%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-78.5142.8175.4-61.6-167.6142.900110.1A51 G52 L61 G89 F90A51-E59 CarbonylContact C-O 3.43Å; A51-E59 VanDerWaalsContact CA-O 3.23Å; A51-E59 WeakPolarHBondContact CA-O 3.18Å; G52-E59 PolarHBondContact N-O 3.22Å; E59-L61 HydrophobicContact CB-CD2 4.33Å; E59-L61 HydrophobicContact CB-CG 4.2Å; E59-G89 WeakPolarHBondContact CA-O 3.4Å; E59-F90 HydrophobicContact CG-CD1 3.97Å; E59-F90 HydrophobicContact CG-CE1 3.55Å; E59-F90 HydrophobicContact CG-CZ 4.33Å; E59-F90 WeakPolarHBondContact OE1-CE1 3.19Å
60I97.4Very high90.7Very high1 Ų132.7 Ų32.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-114.1118.5163.3-57.3176.3000105.3V50 A51 G88 G89 V95 L98 W120 I130V50-I60 WeakPolarHBondContact O-CA 3.46Å; A51-I60 HydrophobicContact CB-CG1 4.15Å; I60-G88 CarbonylContact O-C 3.47Å; I60-G88 WeakPolarHBondContact O-CA 3.43Å; I60-G89 PolarHBondContact N-O 2.79Å; I60-G89 PolarHBondContact O-N 2.88Å; I60-V95 HydrophobicContact CD1-CG2 4.26Å; I60-V95 HydrophobicContact CG1-CG2 4.31Å; I60-L98 HydrophobicContact CG2-CD1 4.03Å; I60-W120 HydrophobicContact CD1-CD2 3.84Å; I60-W120 HydrophobicContact CD1-CE3 3.9Å; I60-W120 HydrophobicContact CD1-CH2 3.72Å; I60-W120 HydrophobicContact CD1-CZ2 3.65Å; I60-W120 HydrophobicContact CD1-CZ3 3.84Å; I60-I130 HydrophobicContact CG2-CD1 3.97Å; I60-I130 HydrophobicContact CG2-CG2 4.23Å
61L97.5Very high89.5Confident22 Ų2233.6 Ų33.612%0.11520%0.195CC..EExtended strand (participates in β ladder)trans-121.3138.2-178.2-56.3176.9000109.4L33 C49 V50 E59 L63 V85 H87L33-L61 HydrophobicContact CD2-CD1 4.16Å; C49-L61 CarbonylContact C-O 3.58Å; C49-L61 VanDerWaalsContact CA-O 3.24Å; C49-L61 WeakPolarHBondContact CA-O 3.34Å; V50-L61 HydrophobicContact CG2-CB 3.9Å; V50-L61 PolarHBondContact N-O 2.97Å; V50-L61 PolarHBondContact O-N 3.43Å; E59-L61 HydrophobicContact CB-CD2 4.33Å; E59-L61 HydrophobicContact CB-CG 4.2Å; L61-L63 HydrophobicContact CB-CD2 3.99Å; L61-L63 HydrophobicContact CB-CG 4.39Å; L61-L63 HydrophobicContact CD1-CD2 4.36Å; L61-V85 HydrophobicContact CD2-CG1 4.21Å; L61-H87 WeakPolarHBondContact CA-O 3.4Å
62E97.6Very high87.9Confident4 Ų440.4 Ų40.42%0.01923%0.231CC..EExtended strand (participates in β ladder)trans-98.3119.4160.3-171.6176.8-139.100108.7T43 V48 V86 H87 R105 I130T43-E62 VanDerWaalsContact CB-OE1 3.29Å; T43-E62 WeakPolarHBondContact CB-OE1 3.47Å; T43-E62 PolarHBondContact OG1-OE1 3Å; V48-E62 CarbonylContact O-C 3.59Å; V48-E62 WeakPolarHBondContact O-CA 3.32Å; E62-V86 PolarHBondContact O-N 3.12Å; E62-H87 HydrophobicContact CB-CB 4.14Å; E62-H87 PolarHBondContact N-O 2.6Å; E62-H87 PolarHBondContact O-N 3.01Å; E62-H87 IonicContact OE2-CE1 3.46Å; E62-H87 PolarHBondContact OE2-CE1 2.74Å; E62-H87 IonicContact OE2-CG 3.52Å; E62-H87 IonicContact OE2-ND1 2.7Å; E62-H87 PolarHBondContact OE2-ND1 3.39Å; E62-R105 VanDerWaalsContact CD-NH2 3.35Å; E62-R105 IonicContact OE1-CZ 2.81Å; E62-R105 IonicContact OE1-NH1 2.76Å; E62-R105 PolarHBondContact OE1-NH1 2.83Å; E62-R105 IonicContact OE1-NH2 3.52Å; E62-R105 PolarHBondContact OE1-NH2 2.8Å; E62-R105 IonicContact OE2-CZ 3.66Å; E62-R105 IonicContact OE2-NH1 3.86Å; E62-R105 IonicContact OE2-NH2 3.61Å; E62-R105 PolarHBondContact OE2-NH2 3.07Å; E62-I130 HydrophobicContact CB-CD1 4.36Å
63L96.5Very high86Confident0 Ų049.1 Ų49.10%027%0.27CS..EExtended strand (participates in β ladder)trans-107.5132.3-178.5-53.5179.3000109.8Y31 L33 T47 V48 V50 L61 F83 K84 V85Y31-L63 HydrophobicContact CE1-CD1 4.44Å; L33-L63 HydrophobicContact CD2-CD1 4.24Å; T47-L63 CarbonylContact C-O 3.54Å; T47-L63 WeakPolarHBondContact CA-O 3.49Å; V48-L63 HydrophobicContact CG2-CB 4.19Å; V48-L63 PolarHBondContact N-O 3.42Å; V48-L63 PolarHBondContact O-N 3.11Å; V50-L63 HydrophobicContact CG1-CD1 4.22Å; V50-L63 HydrophobicContact CG2-CD1 3.82Å; V50-L63 HydrophobicContact CG2-CG 4.17Å; L61-L63 HydrophobicContact CB-CD2 3.99Å; L61-L63 HydrophobicContact CB-CG 4.39Å; L61-L63 HydrophobicContact CD1-CD2 4.36Å; L63-F83 HydrophobicContact CB-CD1 4.09Å; L63-F83 HydrophobicContact CD1-CD1 4.27Å; L63-K84 CarbonylContact C-O 3.54Å; L63-K84 WeakPolarHBondContact CA-O 3.48Å; L63-V85 HydrophobicContact CD2-CB 4.34Å; L63-V85 HydrophobicContact CD2-CG2 3.73Å
64C95.1Very high84.4Confident25 Ų2553.8 Ų53.817%0.16929%0.291CS..EExtended strand (participates in β ladder)trans-84.6134.2164.9-170.10000109.3T47 F83 K84 V86T47-C64 HydrophobicContact CG2-CB 4.23Å; C64-F83 VanDerWaalsContact O-CA 3.32Å; C64-F83 WeakPolarHBondContact O-CA 3.38Å; C64-K84 HydrophobicContact CB-CB 4.27Å; C64-K84 PolarHBondContact N-O 3.31Å; C64-K84 PolarHBondContact O-N 2.89Å; C64-V86 HydrophobicContact CB-CG2 3.68Å
65L93.9Very high83.1Confident2 Ų254.1 Ų54.11%0.0129%0.287CS..PPolyproline II helixtrans-63.3155.4175.2-59.4-173.9000111.4W42 K46 L67 L69 L70 F83 L356W42-L65 HydrophobicContact CH2-CD1 3.75Å; W42-L65 HydrophobicContact CH2-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CD1 3.77Å; W42-L65 HydrophobicContact CZ3-CD2 4.48Å; W42-L65 HydrophobicContact CZ3-CG 4.31Å; K46-L65 WeakPolarHBondContact O-CG 3.38Å; K46-L65 PolarHBondContact O-N 3.02Å; L65-L67 PolarHBondContact O-N 3.12Å; L65-L67 VanDerWaalsContact O-N 3.16Å; L65-L69 HydrophobicContact CD1-CD2 4.14Å; L65-L70 HydrophobicContact CB-CD1 4.37Å; L65-L70 HydrophobicContact CD1-CD2 4.37Å; L65-F83 HydrophobicContact CD2-CD1 4.25Å; L65-F83 HydrophobicContact CD2-CE1 3.6Å; L65-F83 HydrophobicContact CD2-CZ 4.3Å; L65-L356 HydrophobicContact CD2-CD1 4.1Å; L65-L356 HydrophobicContact CD2-CD2 3.75Å; L65-L356 HydrophobicContact CD2-CG 4.39Å
66P91.1Very high82Confident0 Ų053.3 Ų53.30%028%0.281CS..PPolyproline II helixtrans-50.3121.5172.7-28.936000112.5H29 K68 L69 R81 F83 V366H29-P66 HydrophobicContact CB-CG 4Å; P66-K68 PolarHBondContact O-N 3.44Å; P66-K68 VanDerWaalsContact O-N 3.1Å; P66-L69 HydrophobicContact CB-CB 4.49Å; P66-L69 VanDerWaalsContact O-CB 3.27Å; P66-L69 WeakPolarHBondContact O-CB 3.24Å; P66-L69 PolarHBondContact O-N 3.06Å; P66-R81 WeakPolarHBondContact CB-O 3.48Å; P66-R81 WeakPolarHBondContact CG-O 3.49Å; P66-F83 HydrophobicContact CG-CD2 3.96Å; P66-F83 HydrophobicContact CG-CE2 4.1Å; P66-V366 HydrophobicContact CG-CG1 4.19Å
67L81.8Confident80.8Confident71 Ų7157.8 Ų57.837%0.37230%0.295SS..Hα-helixtrans-59.5-28.6-178-67.2-174.8000112.6L65 L69 L70 A71 C78 E80L65-L67 PolarHBondContact O-N 3.12Å; L65-L67 VanDerWaalsContact O-N 3.16Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.33Å; L67-L70 HydrophobicContact CD2-CD1 4.35Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 2.94Å; L67-L70 VanDerWaalsContact O-N 3.11Å; L67-A71 PolarHBondContact O-N 2.84Å; L67-C78 VanDerWaalsContact C-SG 3.55Å; L67-C78 WeakPolarHBondContact CB-SG 3.28Å; L67-E80 HydrophobicContact CB-CB 4.41Å; L67-E80 HydrophobicContact CD1-CB 4.48Å; L67-E80 WeakPolarHBondContact CD1-OE2 3.12Å
68K80.2Confident79.7Confident54 Ų5451.7 Ų51.724%0.23527%0.271CS..Hα-helixtrans-62.2-33.9175.1-170.8-178.6177.7-161.50112.9P66 L70 K75 C78 E80 R81P66-K68 PolarHBondContact O-N 3.44Å; P66-K68 VanDerWaalsContact O-N 3.1Å; K68-L70 VanDerWaalsContact C-N 3.31Å; K68-K75 HydrophobicContact CG-CB 4.36Å; K68-K75 WeakPolarHBondContact O-CE 3.31Å; K68-K75 WeakPolarHBondContact O-CG 3.33Å; K68-C78 HydrophobicContact CB-CB 4.19Å; K68-C78 HydrophobicContact CG-CB 4.47Å; K68-C78 PolarHBondContact N-SG 3.16Å; K68-C78 VanDerWaalsContact N-SG 3.42Å; K68-E80 WeakPolarHBondContact CB-O 3.38Å; K68-E80 PolarHBondContact N-O 2.86Å; K68-R81 HydrophobicContact CD-CG 4.19Å
69L81.3Confident78.3Confident0 Ų056 Ų560%031%0.308CS..Hα-helixtrans-66.4-37.9173.9179.672000111D27 L65 P66 L67 T354 V366D27-L69 HydrophobicContact CB-CD1 3.62Å; L65-L69 HydrophobicContact CD1-CD2 4.14Å; P66-L69 HydrophobicContact CB-CB 4.49Å; P66-L69 VanDerWaalsContact O-CB 3.27Å; P66-L69 WeakPolarHBondContact O-CB 3.24Å; P66-L69 PolarHBondContact O-N 3.06Å; L67-L69 VanDerWaalsContact C-N 3.28Å; L67-L69 PolarHBondContact O-N 3.33Å; L69-T354 HydrophobicContact CD2-CG2 4.33Å; L69-V366 HydrophobicContact CD2-CB 4.44Å; L69-V366 HydrophobicContact CD2-CG1 4.14Å; L69-V366 HydrophobicContact CD2-CG2 3.41Å; L69-V366 VanDerWaalsContact CD2-CG2 3.41Å
70L77.1Confident77.2Confident36 Ų3659.3 Ų59.319%0.18832%0.323CS..Hα-helixtrans-83.2-9-176.7-58.5177.6000113.9K46 L65 L67 K68K46-L70 HydrophobicContact CB-CD1 3.89Å; K46-L70 HydrophobicContact CD-CD1 3.99Å; K46-L70 HydrophobicContact CG-CD1 3.75Å; K46-L70 HydrophobicContact CG-CD2 4.33Å; L65-L70 HydrophobicContact CB-CD1 4.37Å; L65-L70 HydrophobicContact CD1-CD2 4.37Å; L67-L70 HydrophobicContact CD2-CD1 4.35Å; L67-L70 CarbonylContact O-C 3.59Å; L67-L70 PolarHBondContact O-N 2.94Å; L67-L70 VanDerWaalsContact O-N 3.11Å; K68-L70 VanDerWaalsContact C-N 3.31Å
71A72.8Confident76.2Confident23 Ų2366.5 Ų66.519%0.1935%0.35CS..  trans-83.1118.4-179.300000111.1L67 K75L67-A71 PolarHBondContact O-N 2.84Å; A71-K75 HydrophobicContact CB-CG 4.07Å; A71-K75 WeakPolarHBondContact O-CE 3.37Å; A71-K75 WeakPolarHBondContact O-CG 3.15Å
72D64.1Low75.6Confident145 Ų14570.7 Ų70.778%0.77537%0.372SS*.SBendtrans-75-52.4-178-67.4-37.7000113
73E55.6Low75.3Confident188 Ų18871 Ų7188%0.87937%0.374SS*.SBendtrans-117.4-8.3-169.8-64.7-173.7162.600114.8
74K58.1Low75.1Confident143 Ų14377.4 Ų77.462%0.62240%0.401SS*.  trans-130.336.7-172.9-69.7179.6-178.91760113.8S76 L77K74-S76 PolarHBondContact O-N 2.94Å; K74-S76 VanDerWaalsContact O-N 3.12Å; K74-L77 HydrophobicContact CB-CB 4.46Å; K74-L77 HydrophobicContact CB-CD1 4.18Å; K74-L77 HydrophobicContact CD-CD1 4.01Å; K74-L77 HydrophobicContact CG-CD1 4.17Å; K74-L77 PolarHBondContact O-N 3.35Å
75K62.2Low75.1Confident53 Ų5379.4 Ų79.423%0.2341%0.413CS..G310 helixtrans-53.5-32.4178.5-71.3-166.1169.1-169.30113.8D27 K68 A71 L77 C78D27-K75 IonicContact OD1-NZ 3.02Å; D27-K75 PolarHBondContact OD1-NZ 3.36Å; D27-K75 IonicContact OD2-NZ 3.79Å; D27-K75 PolarHBondContact OD2-NZ 3.42Å; K68-K75 HydrophobicContact CG-CB 4.36Å; K68-K75 WeakPolarHBondContact O-CE 3.31Å; K68-K75 WeakPolarHBondContact O-CG 3.33Å; A71-K75 HydrophobicContact CB-CG 4.07Å; A71-K75 WeakPolarHBondContact O-CE 3.37Å; A71-K75 WeakPolarHBondContact O-CG 3.15Å; K75-L77 PolarHBondContact O-N 3.1Å; K75-C78 PolarHBondContact O-N 3.4Å
76S60.4Low75.1Confident117 Ų11781.9 Ų81.982%0.81843%0.428SS*.G310 helixtrans-69.7-17.8178.855.80000114.3K74K74-S76 PolarHBondContact O-N 2.94Å; K74-S76 VanDerWaalsContact O-N 3.12Å
77L59.7Low75.4Confident135 Ų13582.5 Ų82.571%0.70743%0.431SS*.G310 helixtrans-99.4-6.6178.9-63.8171.4000112.5K74 K75 A79K74-L77 HydrophobicContact CB-CB 4.46Å; K74-L77 HydrophobicContact CB-CD1 4.18Å; K74-L77 HydrophobicContact CD-CD1 4.01Å; K74-L77 HydrophobicContact CG-CD1 4.17Å; K74-L77 PolarHBondContact O-N 3.35Å; K75-L77 PolarHBondContact O-N 3.1Å; L77-A79 PolarHBondContact O-N 3.4Å
78C62.7Low76.1Confident27 Ų2780.2 Ų80.218%0.18242%0.424CS..  trans-91.2104.2177.2-161.50000109.7L67 K68 K75 E80L67-C78 VanDerWaalsContact C-SG 3.55Å; L67-C78 WeakPolarHBondContact CB-SG 3.28Å; K68-C78 HydrophobicContact CB-CB 4.19Å; K68-C78 HydrophobicContact CG-CB 4.47Å; K68-C78 PolarHBondContact N-SG 3.16Å; K68-C78 VanDerWaalsContact N-SG 3.42Å; K75-C78 PolarHBondContact O-N 3.4Å; C78-E80 VanDerWaalsContact C-N 3.35Å
79A62.8Low76.9Confident92 Ų9278 Ų7876%0.7642%0.417SS*.  trans-76.7-23.3179.400000112.7L77 R81L77-A79 PolarHBondContact O-N 3.4Å; A79-R81 PolarHBondContact O-N 2.94Å
80E73.6Confident77.6Confident107 Ų10783.8 Ų83.850%0.544%0.442SS..  trans-77.9112.1-177.8-68.7-176.6-16500111L67 K68 C78L67-E80 HydrophobicContact CB-CB 4.41Å; L67-E80 HydrophobicContact CD1-CB 4.48Å; L67-E80 WeakPolarHBondContact CD1-OE2 3.12Å; K68-E80 WeakPolarHBondContact CB-O 3.38Å; K68-E80 PolarHBondContact N-O 2.86Å; C78-E80 VanDerWaalsContact C-N 3.35Å
81R75.9Confident78.4Confident153 Ų15382.9 Ų82.958%0.57744%0.439SS*.  trans-111.2-9.7-176.1-64-177.4-177.2-169.52.6113.8H29 P66 K68 A79H29-R81 PolarHBondContact ND1-O 2.92Å; P66-R81 WeakPolarHBondContact CB-O 3.48Å; P66-R81 WeakPolarHBondContact CG-O 3.49Å; K68-R81 HydrophobicContact CD-CG 4.19Å; A79-R81 PolarHBondContact O-N 2.94Å
82D84.9Confident79.2Confident109 Ų10990.8 Ų90.858%0.58347%0.472SS*.SBendtrans-108.8163.4-173.3-60.5-34.7000111.5
83F91.4Very high80.5Confident12 Ų1285 Ų855%0.05345%0.447CS..  trans-67.5146.2169.6-70.4-112.2000109.4Y31 L63 C64 L65 P66 L356 V364 V366Y31-F83 VanDerWaalsContact CB-CD2 3.41Å; Y31-F83 HydrophobicContact CD1-CB 4.34Å; Y31-F83 HydrophobicContact CD2-CB 3.82Å; Y31-F83 HydrophobicContact CD2-CD2 4.2Å; Y31-F83 HydrophobicContact CD2-CG 4.37Å; Y31-F83 HydrophobicContact CE2-CB 4.08Å; Y31-F83 HydrophobicContact CG-CB 3.95Å; Y31-F83 AromaticContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CD2 3.85Å; Y31-F83 HydrophobicContact CG-CG 4.09Å; L63-F83 HydrophobicContact CB-CD1 4.09Å; L63-F83 HydrophobicContact CD1-CD1 4.27Å; C64-F83 VanDerWaalsContact O-CA 3.32Å; C64-F83 WeakPolarHBondContact O-CA 3.38Å; L65-F83 HydrophobicContact CD2-CD1 4.25Å; L65-F83 HydrophobicContact CD2-CE1 3.6Å; L65-F83 HydrophobicContact CD2-CZ 4.3Å; P66-F83 HydrophobicContact CG-CD2 3.96Å; P66-F83 HydrophobicContact CG-CE2 4.1Å; F83-L356 HydrophobicContact CE1-CD2 4.05Å; F83-L356 HydrophobicContact CZ-CD2 4.4Å; F83-V364 HydrophobicContact CE1-CG1 4.45Å; F83-V364 HydrophobicContact CZ-CG1 4.22Å; F83-V366 HydrophobicContact CE2-CB 4.44Å; F83-V366 HydrophobicContact CE2-CG1 3.74Å; F83-V366 HydrophobicContact CZ-CB 3.82Å; F83-V366 HydrophobicContact CZ-CG1 3.55Å
84K92.7Very high82.3Confident133 Ų13377.5 Ų77.558%0.57841%0.414SS*.EExtended strand (participates in β ladder)trans-116126.7175.4-179.8-179.8176.9-176.70110L63 C64 V86L63-K84 CarbonylContact C-O 3.54Å; L63-K84 WeakPolarHBondContact CA-O 3.48Å; C64-K84 HydrophobicContact CB-CB 4.27Å; C64-K84 PolarHBondContact N-O 3.31Å; C64-K84 PolarHBondContact O-N 2.89Å; K84-V86 PolarHBondContact O-N 3.02Å
85V94.3Very high84.1Confident67 Ų6770.7 Ų70.741%0.40639%0.385SS..EExtended strand (participates in β ladder)trans-67.6121168.4-1750000108.5L61 L63L61-V85 HydrophobicContact CD2-CG1 4.21Å; L63-V85 HydrophobicContact CD2-CB 4.34Å; L63-V85 HydrophobicContact CD2-CG2 3.73Å
86V94.4Very high85.5Confident54 Ų5470.8 Ų70.833%0.32739%0.391SS..EExtended strand (participates in β ladder)trans-95.9-48.9177.6-168.40000109.8E62 C64 K84E62-V86 PolarHBondContact O-N 3.12Å; C64-V86 HydrophobicContact CB-CG2 3.68Å; K84-V86 PolarHBondContact O-N 3.02Å
87H97.3Very high87.1Confident14 Ų1466.3 Ų66.37%0.06536%0.359CS..EExtended strand (participates in β ladder)trans-137.1150.1179.8-56.497.3000110.1L61 E62 A124 T127 D128 I130L61-H87 WeakPolarHBondContact CA-O 3.4Å; E62-H87 HydrophobicContact CB-CB 4.14Å; E62-H87 PolarHBondContact N-O 2.6Å; E62-H87 PolarHBondContact O-N 3.01Å; E62-H87 IonicContact OE2-CE1 3.46Å; E62-H87 PolarHBondContact OE2-CE1 2.74Å; E62-H87 IonicContact OE2-CG 3.52Å; E62-H87 IonicContact OE2-ND1 2.7Å; E62-H87 PolarHBondContact OE2-ND1 3.39Å; H87-A124 PolarHBondContact NE2-O 2.92Å; H87-T127 PolarHBondContact CD2-O 2.98Å; H87-T127 PolarHBondContact NE2-O 2.85Å; H87-T127 VanDerWaalsContact NE2-O 3.07Å; H87-D128 CarbonylContact C-O 3.39Å; H87-D128 VanDerWaalsContact CA-O 3.25Å; H87-D128 WeakPolarHBondContact CA-O 3.49Å; H87-I130 HydrophobicContact CB-CD1 3.93Å; H87-I130 HydrophobicContact CB-CG1 3.58Å
88G96.9Very high88.9Confident23 Ų2360.1 Ų60.124%0.23733%0.327CS..EExtended strand (participates in β ladder)trans-142.3149178.800000113.1I60 D128 V129 I130I60-G88 CarbonylContact O-C 3.47Å; I60-G88 WeakPolarHBondContact O-CA 3.43Å; G88-D128 PolarHBondContact N-O 2.97Å; G88-V129 WeakPolarHBondContact O-CA 3.21Å; G88-I130 PolarHBondContact O-N 2.91Å
89G96.4Very high90.6Very high7 Ų759.5 Ų59.57%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-157174.4175.800000111.4E59 I60 I130E59-G89 WeakPolarHBondContact CA-O 3.4Å; I60-G89 PolarHBondContact N-O 2.79Å; I60-G89 PolarHBondContact O-N 2.88Å; G89-I130 WeakPolarHBondContact CA-O 3.28Å
90F95.6Very high92.3Very high122 Ų12256 Ų5654%0.53529%0.291SS..EExtended strand (participates in β ladder)trans-124.9140.5179.2-65.4-87.3000111N58 E59 W120N58-F90 CarbonylContact O-C 3.6Å; N58-F90 WeakPolarHBondContact O-CA 3.46Å; E59-F90 HydrophobicContact CG-CD1 3.97Å; E59-F90 HydrophobicContact CG-CE1 3.55Å; E59-F90 HydrophobicContact CG-CZ 4.33Å; E59-F90 WeakPolarHBondContact OE1-CE1 3.19Å; F90-W120 WeakPolarHBondContact O-CH2 3.4Å
91S94.2Very high93.4Very high17 Ų1751 Ų5112%0.11927%0.267CS..EExtended strand (participates in β ladder)trans-107138.8167.6177.60000109.9N58 G93N58-S91 PolarHBondContact O-N 2.87Å; S91-G93 WeakPolarHBondContact CB-O 3.48Å; S91-G93 PolarHBondContact O-N 2.89Å; S91-G93 PolarHBondContact OG-N 3.06Å; S91-G93 PolarHBondContact OG-O 3.03Å
92E89.8Confident94.3Very high189 Ų18945.7 Ų45.788%0.88325%0.253SS*.SBendtrans-68-24176.3-63.5-62.3137.900112.5
93G91.1Very high94.8Very high24 Ų2444 Ų4425%0.24726%0.26CS..SBendtrans-129.2171.618000000112.4N58 S91N58-G93 WeakPolarHBondContact CB-O 3.25Å; N58-G93 PolarHBondContact ND2-O 3.33Å; S91-G93 WeakPolarHBondContact CB-O 3.48Å; S91-G93 PolarHBondContact O-N 2.89Å; S91-G93 PolarHBondContact OG-N 3.06Å; S91-G93 PolarHBondContact OG-O 3.03Å
94P93.8Very high95Very high29 Ų2945.2 Ų45.219%0.18827%0.269CS..  trans-60.2149.7178.827.9-35.9000110.7D111P94-D111 VanDerWaalsContact O-CA 3.28Å; P94-D111 WeakPolarHBondContact O-CA 3.47Å
95V95.3Very high95.1Very high1 Ų142.8 Ų42.81%0.00626%0.256CS..  trans-110.6106.7172.2-177.40000107.8I39 A51 G52 I60 L98 T109I39-V95 HydrophobicContact CD1-CB 4.4Å; I39-V95 HydrophobicContact CD1-CG1 3.68Å; I39-V95 WeakPolarHBondContact CD1-O 3.43Å; A51-V95 HydrophobicContact CB-CB 3.59Å; A51-V95 HydrophobicContact CB-CG1 3.61Å; A51-V95 HydrophobicContact CB-CG2 4.05Å; G52-V95 PolarHBondContact O-N 3.35Å; I60-V95 HydrophobicContact CD1-CG2 4.26Å; I60-V95 HydrophobicContact CG1-CG2 4.31Å; V95-L98 HydrophobicContact CG1-CB 4.12Å; V95-L98 HydrophobicContact CG1-CD1 4.47Å; V95-T109 HydrophobicContact CG1-CG2 3.74Å
96C92.8Very high95.2Very high54 Ų5441 Ų4137%0.36525%0.246SC..SBendtrans-101.3-17.2-176.9-64.20000112.6N110 D111C96-N110 PolarHBondContact N-O 3.07Å; C96-D111 PolarHBondContact SG-O 2.78Å
97C94.3Very high95.4Very high23 Ų2338.4 Ų38.416%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-142.5139.4168-169.80000109.2T109 N110 I148C97-T109 CarbonylContact O-C 3.53Å; C97-T109 WeakPolarHBondContact O-CA 3.34Å; C97-T109 WeakPolarHBondContact O-CB 3.24Å; C97-N110 HydrophobicContact CB-CB 4.29Å; C97-N110 PolarHBondContact N-O 3.07Å; C97-N110 PolarHBondContact O-N 3.31Å; C97-I148 HydrophobicContact CB-CD1 4.15Å
98L97.3Very high95.4Very high5 Ų537.8 Ų37.83%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-141.6128.6174.1-174.6159.6000107.8I39 E41 C49 A51 I60 V95 A107 V108 T109I39-L98 HydrophobicContact CD1-CB 3.99Å; I39-L98 HydrophobicContact CG2-CB 3.9Å; E41-L98 HydrophobicContact CB-CD2 3.67Å; E41-L98 HydrophobicContact CG-CD2 3.81Å; C49-L98 HydrophobicContact CB-CD1 4.2Å; C49-L98 HydrophobicContact CB-CD2 3.77Å; A51-L98 HydrophobicContact CB-CD1 4.07Å; I60-L98 HydrophobicContact CG2-CD1 4.03Å; V95-L98 HydrophobicContact CG1-CB 4.12Å; V95-L98 HydrophobicContact CG1-CD1 4.47Å; L98-A107 HydrophobicContact CD2-CB 4.26Å; L98-V108 CarbonylContact C-O 3.5Å; L98-V108 WeakPolarHBondContact CA-O 3.43Å; L98-T109 HydrophobicContact CB-CG2 3.98Å; L98-T109 HydrophobicContact CD1-CG2 3.88Å; L98-T109 HydrophobicContact CG-CG2 3.75Å
99T98Very high95.4Very high15 Ų1536.8 Ų36.89%0.09222%0.217CC..EExtended strand (participates in β ladder)trans-130.9128.8176.7-580000109.8E41 A107 V108 I148 A150E41-T99 WeakPolarHBondContact OE1-CA 3.16Å; T99-A107 CarbonylContact O-C 3.47Å; T99-A107 WeakPolarHBondContact O-CA 3.16Å; T99-V108 PolarHBondContact N-O 2.77Å; T99-V108 PolarHBondContact O-N 3.46Å; T99-I148 HydrophobicContact CG2-CG2 4.26Å; T99-I148 WeakPolarHBondContact OG1-CB 3.3Å; T99-I148 WeakPolarHBondContact OG1-CG2 3.33Å; T99-A150 HydrophobicContact CG2-CB 3.64Å
100H97.9Very high95.4Very high19 Ų1936.6 Ų36.69%0.08822%0.215CC..EExtended strand (participates in β ladder)trans-76.5142.2172.8174.4-114.8000109.5E41 T43 P102 T104 C106 A150E41-H100 HydrophobicContact CG-CB 3.86Å; E41-H100 PolarHBondContact OE1-N 2.8Å; T43-H100 HydrophobicContact CG2-CB 4.22Å; H100-P102 VanDerWaalsContact O-CD 3.31Å; H100-P102 WeakPolarHBondContact O-CD 3.4Å; H100-T104 PolarHBondContact NE2-O 2.77Å; H100-C106 PolarHBondContact CD2-O 2.89Å; H100-C106 VanDerWaalsContact CD2-O 3.3Å; H100-A150 WeakPolarHBondContact O-CB 3.37Å
101I97.6Very high95.2Very high0 Ų032.7 Ų32.70%020%0.199CC..EExtended strand (participates in β ladder)trans-94.5107.9177.2-56.1-59000109G103 T104 C106 V108 A150 P156 V158 L172I101-G103 PolarHBondContact O-N 2.87Å; I101-T104 WeakPolarHBondContact CB-OG1 3.33Å; I101-T104 HydrophobicContact CG2-CG2 4.06Å; I101-T104 PolarHBondContact O-N 2.9Å; I101-T104 VanDerWaalsContact O-N 3.13Å; I101-T104 PolarHBondContact O-OG1 2.9Å; I101-C106 HydrophobicContact CB-CB 4.26Å; I101-C106 WeakPolarHBondContact CB-O 3.32Å; I101-C106 HydrophobicContact CG1-CB 4.26Å; I101-C106 PolarHBondContact N-O 3.13Å; I101-V108 HydrophobicContact CD1-CG2 3.73Å; I101-V108 HydrophobicContact CG1-CG2 3.93Å; I101-A150 HydrophobicContact CD1-CB 3.6Å; I101-P156 HydrophobicContact CG2-CB 3.91Å; I101-V158 HydrophobicContact CD1-CB 4.44Å; I101-V158 HydrophobicContact CD1-CG2 4.49Å; I101-L172 HydrophobicContact CB-CD1 4.42Å; I101-L172 HydrophobicContact CD1-CD1 3.83Å; I101-L172 HydrophobicContact CG1-CD1 3.64Å; I101-L172 HydrophobicContact CG2-CD1 4.06Å
102P95.6Very high94.9Very high43 Ų4332.7 Ų32.728%0.27920%0.202SC..THydrogen-bonded Turntrans-59.6141.5-172-24.735.2000112.5H100 T104 L152H100-P102 VanDerWaalsContact O-CD 3.31Å; H100-P102 WeakPolarHBondContact O-CD 3.4Å; P102-T104 PolarHBondContact O-N 3.47Å; P102-L152 HydrophobicContact CB-CB 4.16Å; P102-L152 HydrophobicContact CB-CD1 4.36Å; P102-L152 WeakPolarHBondContact O-CD1 3.16Å
103G94.6Very high94.7Very high72 Ų7229.2 Ų29.274%0.74219%0.189SC*.THydrogen-bonded Turntrans776.7-177.100000114.6I101I101-G103 PolarHBondContact O-N 2.87Å
104T95.3Very high94.6Very high39 Ų3930.5 Ų30.524%0.23919%0.192CC..THydrogen-bonded Turntrans-134.7171.7178.778.70000111.5H100 I101 P102 C106 P156H100-T104 PolarHBondContact NE2-O 2.77Å; I101-T104 WeakPolarHBondContact CB-OG1 3.33Å; I101-T104 HydrophobicContact CG2-CG2 4.06Å; I101-T104 PolarHBondContact O-N 2.9Å; I101-T104 VanDerWaalsContact O-N 3.13Å; I101-T104 PolarHBondContact O-OG1 2.9Å; P102-T104 PolarHBondContact O-N 3.47Å; T104-C106 VanDerWaalsContact C-N 3.33Å; T104-C106 WeakPolarHBondContact OG1-CB 3.49Å; T104-C106 PolarHBondContact OG1-N 2.93Å; T104-C106 VanDerWaalsContact OG1-N 3.13Å; T104-P156 HydrophobicContact CG2-CB 4.32Å; T104-P156 HydrophobicContact CG2-CG 3.83Å
105R95.1Very high94.4Very high82 Ų8229.5 Ų29.531%0.30919%0.186SC..THydrogen-bonded Turntrans-99.735.1167.1-68.1-60.1-58.2163.7-5.4111.9E62 L122 G123E62-R105 VanDerWaalsContact CD-NH2 3.35Å; E62-R105 IonicContact OE1-CZ 2.81Å; E62-R105 IonicContact OE1-NH1 2.76Å; E62-R105 PolarHBondContact OE1-NH1 2.83Å; E62-R105 IonicContact OE1-NH2 3.52Å; E62-R105 PolarHBondContact OE1-NH2 2.8Å; E62-R105 IonicContact OE2-CZ 3.66Å; E62-R105 IonicContact OE2-NH1 3.86Å; E62-R105 IonicContact OE2-NH2 3.61Å; E62-R105 PolarHBondContact OE2-NH2 3.07Å; R105-L122 PolarHBondContact NH2-O 3.49Å; R105-L122 PolarHBondContact O-N 2.84Å; R105-G123 PolarHBondContact NE-O 2.84Å; R105-G123 PolarHBondContact NH2-O 3.21Å
106C96.2Very high94.3Very high28 Ų2832.7 Ų32.719%0.18920%0.203CC..EExtended strand (participates in β ladder)trans-109.4142.5178.9-1740000111.1H100 I101 T104 W120H100-C106 PolarHBondContact CD2-O 2.89Å; H100-C106 VanDerWaalsContact CD2-O 3.3Å; I101-C106 HydrophobicContact CB-CB 4.26Å; I101-C106 WeakPolarHBondContact CB-O 3.32Å; I101-C106 HydrophobicContact CG1-CB 4.26Å; I101-C106 PolarHBondContact N-O 3.13Å; T104-C106 VanDerWaalsContact C-N 3.33Å; T104-C106 WeakPolarHBondContact OG1-CB 3.49Å; T104-C106 PolarHBondContact OG1-N 2.93Å; T104-C106 VanDerWaalsContact OG1-N 3.13Å; C106-W120 VanDerWaalsContact CA-O 3.25Å; C106-W120 WeakPolarHBondContact CA-O 3.41Å; C106-W120 PolarHBondContact SG-O 3.17Å; C106-W120 VanDerWaalsContact SG-O 3.33Å
107A97.8Very high94.4Very high1 Ų130.1 Ų30.11%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-126.3155.416600000110.5L98 T99 W120 L122L98-A107 HydrophobicContact CD2-CB 4.26Å; T99-A107 CarbonylContact O-C 3.47Å; T99-A107 WeakPolarHBondContact O-CA 3.16Å; A107-W120 HydrophobicContact CB-CB 4.42Å; A107-W120 PolarHBondContact N-O 2.85Å; A107-W120 PolarHBondContact O-N 2.75Å; A107-L122 HydrophobicContact CB-CD1 4.11Å; A107-L122 HydrophobicContact CB-CD2 3.75Å; A107-L122 HydrophobicContact CB-CG 4.01Å
108V98Very high94.5Very high0 Ų030.8 Ų30.80%019%0.186CC..EExtended strand (participates in β ladder)trans-122.3131.7177.7-172.80000108.5L98 T99 I101 L117 Q118 L119 I148 V158 L172L98-V108 CarbonylContact C-O 3.5Å; L98-V108 WeakPolarHBondContact CA-O 3.43Å; T99-V108 PolarHBondContact N-O 2.77Å; T99-V108 PolarHBondContact O-N 3.46Å; I101-V108 HydrophobicContact CD1-CG2 3.73Å; I101-V108 HydrophobicContact CG1-CG2 3.93Å; V108-L117 HydrophobicContact CG1-CB 3.71Å; V108-L117 HydrophobicContact CG1-CD1 3.8Å; V108-L117 HydrophobicContact CG1-CG 4.23Å; V108-Q118 CarbonylContact C-O 2.99Å; V108-Q118 WeakPolarHBondContact CA-O 3.42Å; V108-L119 HydrophobicContact CB-CD2 4.49Å; V108-L119 HydrophobicContact CG1-CD2 4.15Å; V108-L119 HydrophobicContact CG2-CD2 3.76Å; V108-I148 HydrophobicContact CB-CG2 4.5Å; V108-I148 HydrophobicContact CG1-CD1 4.18Å; V108-V158 HydrophobicContact CG2-CG2 4.46Å; V108-L172 HydrophobicContact CG2-CD1 4.35Å; V108-L172 HydrophobicContact CG2-CD2 4.19Å
109T97.4Very high94.5Very high3 Ų331.5 Ų31.52%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-122.6159.3178.569.90000112.9V95 C97 L98 L117 Q118 W120V95-T109 HydrophobicContact CG1-CG2 3.74Å; C97-T109 CarbonylContact O-C 3.53Å; C97-T109 WeakPolarHBondContact O-CA 3.34Å; C97-T109 WeakPolarHBondContact O-CB 3.24Å; L98-T109 HydrophobicContact CB-CG2 3.98Å; L98-T109 HydrophobicContact CD1-CG2 3.88Å; L98-T109 HydrophobicContact CG-CG2 3.75Å; T109-L117 CarbonylContact O-C 3.58Å; T109-L117 VanDerWaalsContact O-CA 3.31Å; T109-L117 WeakPolarHBondContact O-CA 3.49Å; T109-Q118 PolarHBondContact N-O 2.93Å; T109-Q118 PolarHBondContact O-N 3.03Å; T109-W120 PolarHBondContact OG1-NE1 2.85Å
110N95.4Very high94.5Very high3 Ų331.1 Ų31.12%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-134.4150.6167.8175.9-96.3000110.4C96 C97 G112 T114 D116 L117 G145 S146 I148C96-N110 PolarHBondContact N-O 3.07Å; C97-N110 HydrophobicContact CB-CB 4.29Å; C97-N110 PolarHBondContact N-O 3.07Å; C97-N110 PolarHBondContact O-N 3.31Å; N110-G112 PolarHBondContact OD1-N 3.15Å; N110-T114 PolarHBondContact ND2-O 2.93Å; N110-D116 PolarHBondContact ND2-O 2.69Å; N110-L117 HydrophobicContact CB-CD2 4.01Å; N110-G145 WeakPolarHBondContact OD1-CA 3.45Å; N110-S146 PolarHBondContact OD1-N 3.08Å; N110-I148 HydrophobicContact CB-CD1 4.04Å
111D91.9Very high94.5Very high39 Ų3932.7 Ų32.721%0.20920%0.196CC..  trans-90.3-4.4-172.363.16.6000114.8P94 C96 L113 T114P94-D111 VanDerWaalsContact O-CA 3.28Å; P94-D111 WeakPolarHBondContact O-CA 3.47Å; C96-D111 PolarHBondContact SG-O 2.78Å; D111-L113 PolarHBondContact O-N 3.11Å; D111-L113 PolarHBondContact OD1-N 3.28Å; D111-T114 PolarHBondContact OD1-N 3.1Å; D111-T114 PolarHBondContact OD1-OG1 3.25Å; D111-T114 PolarHBondContact OD2-OG1 2.93Å
112G88.8Confident94.4Very high18 Ų1832.7 Ų32.719%0.18620%0.196CC..SBendtrans80.7-9.9-17600000114.4N110 G145N110-G112 PolarHBondContact OD1-N 3.15Å; G112-G145 PolarHBondContact O-N 3.18Å
113L85.6Confident94.1Very high116 Ų11630.7 Ų30.761%0.60718%0.183SC*.SBendtrans-112.2-31.3-170.9-60.8177000112.7D111D111-L113 PolarHBondContact O-N 3.11Å; D111-L113 PolarHBondContact OD1-N 3.28Å
114T88.6Confident93.6Very high51 Ų5129.5 Ų29.531%0.31317%0.166SC..SBendtrans-122.1169178.968.70000109.7N110 D111 D116N110-T114 PolarHBondContact ND2-O 2.93Å; D111-T114 PolarHBondContact OD1-N 3.1Å; D111-T114 PolarHBondContact OD1-OG1 3.25Å; D111-T114 PolarHBondContact OD2-OG1 2.93Å; T114-D116 VanDerWaalsContact C-N 3.3Å; T114-D116 PolarHBondContact OG1-N 2.77Å
115S89.9Confident92.9Very high8 Ų836.1 Ų36.16%0.05620%0.2CC..SBendtrans-890.4168.956.20000113.1G138 T139 S140 S146S115-G138 WeakPolarHBondContact O-CA 3.48Å; S115-G138 VanDerWaalsContact OG-CA 3.28Å; S115-G138 WeakPolarHBondContact OG-CA 3.23Å; S115-T139 PolarHBondContact OG-N 2.83Å; S115-S140 WeakPolarHBondContact CB-O 3.16Å; S115-S140 PolarHBondContact OG-N 2.86Å; S115-S140 PolarHBondContact OG-O 3.39Å; S115-S146 VanDerWaalsContact CA-OG 3.26Å; S115-S146 WeakPolarHBondContact CA-OG 3.45Å; S115-S146 PolarHBondContact O-OG 3.38Å
116D92.3Very high92.4Very high67 Ų6739.1 Ų39.136%0.35822%0.222SC..  trans-71.2144.1-178.8-69.1-9.5000110.8N110 T114 G138N110-D116 PolarHBondContact ND2-O 2.69Å; T114-D116 VanDerWaalsContact C-N 3.3Å; T114-D116 PolarHBondContact OG1-N 2.77Å; D116-G138 PolarHBondContact OD1-N 3.13Å
117L95.5Very high92Very high0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-108.2145176.7-51.5-177.2000110.3V108 T109 N110 S135 L136 I148 V158 H160V108-L117 HydrophobicContact CG1-CB 3.71Å; V108-L117 HydrophobicContact CG1-CD1 3.8Å; V108-L117 HydrophobicContact CG1-CG 4.23Å; T109-L117 CarbonylContact O-C 3.58Å; T109-L117 VanDerWaalsContact O-CA 3.31Å; T109-L117 WeakPolarHBondContact O-CA 3.49Å; N110-L117 HydrophobicContact CB-CD2 4.01Å; L117-S135 CarbonylContact O-C 3.59Å; L117-S135 WeakPolarHBondContact O-CA 3.46Å; L117-S135 VanDerWaalsContact O-CB 3.28Å; L117-S135 WeakPolarHBondContact O-CB 3.26Å; L117-L136 HydrophobicContact CB-CB 4.23Å; L117-L136 HydrophobicContact CD1-CD1 4.47Å; L117-L136 PolarHBondContact N-O 3.18Å; L117-L136 PolarHBondContact O-N 2.83Å; L117-I148 HydrophobicContact CD2-CD1 3.82Å; L117-I148 HydrophobicContact CD2-CG1 4.06Å; L117-V158 HydrophobicContact CD1-CG1 4.36Å; L117-H160 HydrophobicContact CD1-CB 3.78Å
118Q96.3Very high91.7Very high38 Ų3844.6 Ų44.618%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-109.2135.6172.4-48.2-57.3-34.900109.4V108 T109 W120 S135V108-Q118 CarbonylContact C-O 2.99Å; V108-Q118 WeakPolarHBondContact CA-O 3.42Å; T109-Q118 PolarHBondContact N-O 2.93Å; T109-Q118 PolarHBondContact O-N 3.03Å; Q118-W120 HydrophobicContact CB-CZ2 4.45Å; Q118-S135 VanDerWaalsContact OE1-CB 3.31Å
119L97.4Very high91.6Very high20 Ų2047.7 Ų47.711%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-99.7135.4178.9-53.7179.9000109.5V108 K132 T133 G134 L136 L172V108-L119 HydrophobicContact CB-CD2 4.49Å; V108-L119 HydrophobicContact CG1-CD2 4.15Å; V108-L119 HydrophobicContact CG2-CD2 3.76Å; L119-K132 CarbonylContact O-C 3.53Å; L119-K132 WeakPolarHBondContact O-CA 3.36Å; L119-T133 PolarHBondContact O-N 2.77Å; L119-T133 PolarHBondContact O-OG1 3.19Å; L119-G134 PolarHBondContact N-O 2.85Å; L119-G134 PolarHBondContact O-N 2.64Å; L119-L136 HydrophobicContact CD1-CG 4.32Å; L119-L136 HydrophobicContact CD2-CD1 4.14Å; L119-L136 HydrophobicContact CD2-CG 4.31Å; L119-L136 HydrophobicContact CG-CG 4.5Å; L119-L172 HydrophobicContact CD2-CD2 3.86Å
120W97.8Very high91.6Very high7 Ų747.8 Ų47.83%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-126.9140-177-58.584.8000110.5I60 F90 C106 A107 T109 Q118 I130 R131 K132I60-W120 HydrophobicContact CD1-CD2 3.84Å; I60-W120 HydrophobicContact CD1-CE3 3.9Å; I60-W120 HydrophobicContact CD1-CH2 3.72Å; I60-W120 HydrophobicContact CD1-CZ2 3.65Å; I60-W120 HydrophobicContact CD1-CZ3 3.84Å; F90-W120 WeakPolarHBondContact O-CH2 3.4Å; C106-W120 VanDerWaalsContact CA-O 3.25Å; C106-W120 WeakPolarHBondContact CA-O 3.41Å; C106-W120 PolarHBondContact SG-O 3.17Å; C106-W120 VanDerWaalsContact SG-O 3.33Å; A107-W120 HydrophobicContact CB-CB 4.42Å; A107-W120 PolarHBondContact N-O 2.85Å; A107-W120 PolarHBondContact O-N 2.75Å; T109-W120 PolarHBondContact OG1-NE1 2.85Å; Q118-W120 HydrophobicContact CB-CZ2 4.45Å; W120-I130 HydrophobicContact CB-CG2 4.46Å; W120-I130 HydrophobicContact CE3-CG2 4.08Å; W120-R131 WeakPolarHBondContact CA-O 3.38Å; W120-K132 HydrophobicContact CD2-CB 4.31Å; W120-K132 HydrophobicContact CE3-CB 3.9Å; W120-K132 VanDerWaalsContact CE3-N 3.33Å; W120-K132 HydrophobicContact CH2-CB 3.98Å; W120-K132 HydrophobicContact CZ2-CB 4.38Å; W120-K132 HydrophobicContact CZ3-CB 3.73Å
121D96.9Very high91.6Very high52 Ų5253.4 Ų53.428%0.27829%0.291SS..EExtended strand (participates in β ladder)trans-94.8119.6162.3174.89.3000107.4G123 I130 R131 T133D121-G123 PolarHBondContact O-N 3.42Å; D121-G123 PolarHBondContact OD1-N 2.9Å; D121-I130 WeakPolarHBondContact O-CA 3.32Å; D121-R131 HydrophobicContact CB-CG 4.1Å; D121-R131 PolarHBondContact N-O 3.38Å; D121-R131 PolarHBondContact O-N 2.82Å; D121-T133 HydrophobicContact CB-CG2 3.53Å
122L96.1Very high91.8Very high0 Ų057 Ų570%031%0.305CS..  trans-79.94.7-177.9-62.6-178.5000112.8T43 R105 A107 I130T43-L122 HydrophobicContact CG2-CD1 3.83Å; R105-L122 PolarHBondContact NH2-O 3.49Å; R105-L122 PolarHBondContact O-N 2.84Å; A107-L122 HydrophobicContact CB-CD1 4.11Å; A107-L122 HydrophobicContact CB-CD2 3.75Å; A107-L122 HydrophobicContact CB-CG 4.01Å; L122-I130 HydrophobicContact CD2-CD1 4.14Å; L122-I130 HydrophobicContact CD2-CG2 4.07Å
123G89.2Confident92.2Very high0 Ų060.2 Ų60.20%032%0.321CS..  trans80.9162.2-178.100000112.8R105 D121R105-G123 PolarHBondContact NE-O 2.84Å; R105-G123 PolarHBondContact NH2-O 3.21Å; D121-G123 PolarHBondContact O-N 3.42Å; D121-G123 PolarHBondContact OD1-N 2.9Å
124A85.1Confident92.6Very high47 Ų4756 Ų5639%0.38831%0.305SS..  trans-121.8174.8174.800000108.9H87 D126 T127H87-A124 PolarHBondContact NE2-O 2.92Å; A124-D126 PolarHBondContact O-N 3.4Å; A124-T127 PolarHBondContact O-N 2.83Å
125D79.3Confident92.9Very high178 Ų17857 Ų5795%0.95231%0.314SS*.THydrogen-bonded Turntrans-56.7-16.2-173.1-60.3-22.8000115.1
126D84.9Confident93.1Very high146 Ų14657.3 Ų57.378%0.78132%0.315SS*.THydrogen-bonded Turntrans-94.3-5179.368.2-26.5000114.5A124A124-D126 PolarHBondContact O-N 3.4Å
127T87.6Confident93Very high28 Ų2858.8 Ų58.817%0.17233%0.328CS..  trans-141.2132.1-179.6-179.10000110.6H87 A124 V129H87-T127 PolarHBondContact CD2-O 2.98Å; H87-T127 PolarHBondContact NE2-O 2.85Å; H87-T127 VanDerWaalsContact NE2-O 3.07Å; A124-T127 PolarHBondContact O-N 2.83Å; T127-V129 VanDerWaalsContact C-N 3.28Å; T127-V129 PolarHBondContact OG1-N 3.21Å
128D90.8Very high92.3Very high116 Ų11659.8 Ų59.862%0.6234%0.339SS*.  trans-876.8174.153.5-10.6000113.1H87 G88H87-D128 CarbonylContact C-O 3.39Å; H87-D128 VanDerWaalsContact CA-O 3.25Å; H87-D128 WeakPolarHBondContact CA-O 3.49Å; G88-D128 PolarHBondContact N-O 2.97Å
129V96.1Very high91.4Very high65 Ų6562 Ų6239%0.39436%0.355SS..BIsolated β-bridgetrans-104.9120.3-169.4-176.90000111.8G88 T127 R131G88-V129 WeakPolarHBondContact O-CA 3.21Å; T127-V129 VanDerWaalsContact C-N 3.28Å; T127-V129 PolarHBondContact OG1-N 3.21Å; V129-R131 HydrophobicContact CG1-CB 4.49Å
130I97.7Very high90.1Very high5 Ų561.9 Ų61.93%0.02636%0.356CS..  trans-82.2125.5163.9-56.9-178.8000108.2I60 E62 H87 G88 G89 W120 D121 L122I60-I130 HydrophobicContact CG2-CD1 3.97Å; I60-I130 HydrophobicContact CG2-CG2 4.23Å; E62-I130 HydrophobicContact CB-CD1 4.36Å; H87-I130 HydrophobicContact CB-CD1 3.93Å; H87-I130 HydrophobicContact CB-CG1 3.58Å; G88-I130 PolarHBondContact O-N 2.91Å; G89-I130 WeakPolarHBondContact CA-O 3.28Å; W120-I130 HydrophobicContact CB-CG2 4.46Å; W120-I130 HydrophobicContact CE3-CG2 4.08Å; D121-I130 WeakPolarHBondContact O-CA 3.32Å; L122-I130 HydrophobicContact CD2-CD1 4.14Å; L122-I130 HydrophobicContact CD2-CG2 4.07Å
131R96.4Very high88.6Confident121 Ų12169.2 Ų69.246%0.45740%0.401SS..EExtended strand (participates in β ladder)trans-132.1144.2-176.673.2-17590.5178.66.9112.5W120 D121 V129 T133W120-R131 WeakPolarHBondContact CA-O 3.38Å; D121-R131 HydrophobicContact CB-CG 4.1Å; D121-R131 PolarHBondContact N-O 3.38Å; D121-R131 PolarHBondContact O-N 2.82Å; V129-R131 HydrophobicContact CG1-CB 4.49Å; R131-T133 HydrophobicContact CG-CG2 4.28Å; R131-T133 PolarHBondContact O-N 3.36Å
132K96.5Very high87.1Confident115 Ų11567.3 Ų67.350%0.539%0.392SS..EExtended strand (participates in β ladder)trans-70.6127.8171.2-176.4177.6175.5173.20109.9L119 W120L119-K132 CarbonylContact O-C 3.53Å; L119-K132 WeakPolarHBondContact O-CA 3.36Å; W120-K132 HydrophobicContact CD2-CB 4.31Å; W120-K132 HydrophobicContact CE3-CB 3.9Å; W120-K132 VanDerWaalsContact CE3-N 3.33Å; W120-K132 HydrophobicContact CH2-CB 3.98Å; W120-K132 HydrophobicContact CZ2-CB 4.38Å; W120-K132 HydrophobicContact CZ3-CB 3.73Å
133T95.8Very high85.6Confident85 Ų8576.6 Ų76.652%0.52144%0.435SS..EExtended strand (participates in β ladder)trans-110.3-20.2-178.353.80000113.4L119 D121 R131L119-T133 PolarHBondContact O-N 2.77Å; L119-T133 PolarHBondContact O-OG1 3.19Å; D121-T133 HydrophobicContact CB-CG2 3.53Å; R131-T133 HydrophobicContact CG-CG2 4.28Å; R131-T133 PolarHBondContact O-N 3.36Å
134G94.9Very high84.7Confident27 Ų2778.5 Ų78.528%0.27845%0.451SS..EExtended strand (participates in β ladder)trans179.8-167.5179.800000113.5L119L119-G134 PolarHBondContact N-O 2.85Å; L119-G134 PolarHBondContact O-N 2.64Å
135S94.9Very high84.8Confident73 Ų7376.4 Ų76.451%0.5143%0.434SS..EExtended strand (participates in β ladder)trans-147.8155.1175.562.10000111L117 Q118L117-S135 CarbonylContact O-C 3.59Å; L117-S135 WeakPolarHBondContact O-CA 3.46Å; L117-S135 VanDerWaalsContact O-CB 3.28Å; L117-S135 WeakPolarHBondContact O-CB 3.26Å; Q118-S135 VanDerWaalsContact OE1-CB 3.31Å
136L93.6Very high85.5Confident13 Ų1368 Ų687%0.06839%0.389CS..EExtended strand (participates in β ladder)trans-117.8128.3169.9-62.7172.4000108.5L117 L119 G138 V158 T170 L172L117-L136 HydrophobicContact CB-CB 4.23Å; L117-L136 HydrophobicContact CD1-CD1 4.47Å; L117-L136 PolarHBondContact N-O 3.18Å; L117-L136 PolarHBondContact O-N 2.83Å; L119-L136 HydrophobicContact CD1-CG 4.32Å; L119-L136 HydrophobicContact CD2-CD1 4.14Å; L119-L136 HydrophobicContact CD2-CG 4.31Å; L119-L136 HydrophobicContact CG-CG 4.5Å; L136-G138 PolarHBondContact O-N 2.94Å; L136-V158 HydrophobicContact CD1-CG1 4.17Å; L136-T170 HydrophobicContact CD1-CG2 4.23Å; L136-L172 HydrophobicContact CD1-CD2 3.7Å
137P89.6Confident85.9Confident99 Ų9963.9 Ų63.964%0.64336%0.363SS*.  trans-68.1133.9177.228.7-33.2000110.1
138G81.6Confident86.4Confident21 Ų2163.2 Ų63.222%0.21636%0.358CS..  trans-75.8167.7169.200000111.8S115 D116 L136S115-G138 WeakPolarHBondContact O-CA 3.48Å; S115-G138 VanDerWaalsContact OG-CA 3.28Å; S115-G138 WeakPolarHBondContact OG-CA 3.23Å; D116-G138 PolarHBondContact OD1-N 3.13Å; L136-G138 PolarHBondContact O-N 2.94Å
139T76.2Confident86.7Confident84 Ų8458.1 Ų58.152%0.51533%0.332SS..SBendtrans-109.8-6.9-174.948.50000113.5S115S115-T139 PolarHBondContact OG-N 2.83Å
140S71.3Confident86.7Confident17 Ų1756.1 Ų56.112%0.11932%0.322CS..  trans-129.5139.2-174.9610000113.1S115 S142 S166S115-S140 WeakPolarHBondContact CB-O 3.16Å; S115-S140 PolarHBondContact OG-N 2.86Å; S115-S140 PolarHBondContact OG-O 3.39Å; S140-S142 VanDerWaalsContact C-N 3.25Å; S140-S142 PolarHBondContact O-N 3.14Å; S140-S166 PolarHBondContact OG-OG 3.22Å
141V65.3Low86.6Confident161 Ų16158 Ų5898%0.97633%0.329SS*.  trans-82.876.2168.8-166.10000107.6
142S65.5Low86.6Confident13 Ų1357.3 Ų57.39%0.09133%0.334CS..  trans-101141.5-179.9179.50000110.1S140 A144S140-S142 VanDerWaalsContact C-N 3.25Å; S140-S142 PolarHBondContact O-N 3.14Å; S142-A144 WeakPolarHBondContact CB-O 3.28Å; S142-A144 PolarHBondContact OG-N 3.2Å; S142-A144 PolarHBondContact OG-O 2.76Å
143Q65.2Low86.5Confident195 Ų19552.7 Ų52.791%0.91132%0.316SS*.SBendtrans-79.2-10167.5-67.3-172.7-10.300112.5
144A70.6Confident86.4Confident39 Ų3954.4 Ų54.432%0.32233%0.332SS..SBendtrans-107.7130.2172.300000109.3S142 A162S142-A144 WeakPolarHBondContact CB-O 3.28Å; S142-A144 PolarHBondContact OG-N 3.2Å; S142-A144 PolarHBondContact OG-O 2.76Å; A144-A162 WeakPolarHBondContact O-CB 3.24Å
145G86.9Confident86.4Confident4 Ų455.5 Ų55.54%0.04133%0.333CS..PPolyproline II helixtrans-61.4163.4-179.400000114.9N110 G112 R147N110-G145 WeakPolarHBondContact OD1-CA 3.45Å; G112-G145 PolarHBondContact O-N 3.18Å; G145-R147 PolarHBondContact O-NH1 2.68Å
146S93.1Very high86.5Confident1 Ų153.8 Ų53.81%0.00732%0.321CS..PPolyproline II helixtrans-63.1134.3176.8-700000111.9N110 S115 G161N110-S146 PolarHBondContact OD1-N 3.08Å; S115-S146 VanDerWaalsContact CA-OG 3.26Å; S115-S146 WeakPolarHBondContact CA-OG 3.45Å; S115-S146 PolarHBondContact O-OG 3.38Å; S146-G161 CarbonylContact C-O 3.4Å; S146-G161 WeakPolarHBondContact CA-O 3.28Å
147R95.1Very high86.7Confident60 Ų6054.3 Ų54.323%0.22632%0.323CS..EExtended strand (participates in β ladder)trans-76.8147.7158.3-63.3-62.2176.9-88.14.3108.7G145 H160 G161 L189 S190 L192G145-R147 PolarHBondContact O-NH1 2.68Å; R147-H160 VanDerWaalsContact O-CA 3.24Å; R147-H160 WeakPolarHBondContact O-CA 3.36Å; R147-G161 PolarHBondContact N-O 3.41Å; R147-G161 PolarHBondContact O-N 2.88Å; R147-L189 HydrophobicContact CB-CB 4.39Å; R147-L189 HydrophobicContact CG-CB 3.78Å; R147-L189 PolarHBondContact NE-O 3.11Å; R147-S190 PolarHBondContact NE-O 3.42Å; R147-L192 HydrophobicContact CB-CB 4.08Å; R147-L192 HydrophobicContact CB-CD1 3.81Å; R147-L192 HydrophobicContact CB-CG 3.81Å; R147-L192 WeakPolarHBondContact O-CD1 3.5Å
148I97.1Very high87Confident13 Ų1349.6 Ų49.67%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-134.5137.8-174-51.3174000108C97 T99 V108 N110 L117 V158 L159C97-I148 HydrophobicContact CB-CD1 4.15Å; T99-I148 HydrophobicContact CG2-CG2 4.26Å; T99-I148 WeakPolarHBondContact OG1-CB 3.3Å; T99-I148 WeakPolarHBondContact OG1-CG2 3.33Å; V108-I148 HydrophobicContact CB-CG2 4.5Å; V108-I148 HydrophobicContact CG1-CD1 4.18Å; N110-I148 HydrophobicContact CB-CD1 4.04Å; L117-I148 HydrophobicContact CD2-CD1 3.82Å; L117-I148 HydrophobicContact CD2-CG1 4.06Å; I148-V158 HydrophobicContact CG2-CG2 3.4Å; I148-L159 CarbonylContact C-O 3.55Å; I148-L159 WeakPolarHBondContact CA-O 3.19Å
149A97.4Very high87.8Confident9 Ų948.6 Ų48.67%0.07428%0.282CS..EExtended strand (participates in β ladder)trans-139.5145.1168.600000109.9L159 L192 F194A149-L159 HydrophobicContact CB-CB 4.33Å; A149-L159 HydrophobicContact CB-CD2 4.37Å; A149-L159 PolarHBondContact N-O 2.82Å; A149-L159 PolarHBondContact O-N 3.4Å; A149-L192 HydrophobicContact CB-CB 4.18Å; A149-F194 HydrophobicContact CB-CD2 4.09Å; A149-F194 HydrophobicContact CB-CE2 4.31Å
150A96.8Very high88.8Confident23 Ų2344.7 Ų44.719%0.1926%0.258CS..EExtended strand (participates in β ladder)trans-130.5157.3177.400000110.6T99 H100 I101T99-A150 HydrophobicContact CG2-CB 3.64Å; H100-A150 WeakPolarHBondContact O-CB 3.37Å; I101-A150 HydrophobicContact CD1-CB 3.6Å
151R94.6Very high89.9Confident44 Ų4444 Ų4417%0.16625%0.253CS..  trans-142.1160.8171.265.5174.9-178.295.96.5109S153 F194 E197R151-S153 PolarHBondContact O-N 3.15Å; R151-S153 VanDerWaalsContact O-N 3.16Å; R151-S153 PolarHBondContact O-OG 3.42Å; R151-F194 HydrophobicContact CB-CB 4.49Å; R151-F194 HydrophobicContact CB-CD2 3.86Å; R151-F194 HydrophobicContact CB-CE2 4.21Å; R151-F194 HydrophobicContact CB-CG 4.1Å; R151-F194 HydrophobicContact CG-CD1 4.36Å; R151-F194 HydrophobicContact CG-CD2 4.02Å; R151-F194 HydrophobicContact CG-CE1 4.26Å; R151-F194 HydrophobicContact CG-CE2 3.92Å; R151-F194 HydrophobicContact CG-CG 4.23Å; R151-F194 HydrophobicContact CG-CZ 4.03Å; R151-E197 IonicContact CZ-OE2 3.42Å; R151-E197 PolarHBondContact NE-O 2.77Å; R151-E197 VanDerWaalsContact NE-O 3.15Å; R151-E197 PolarHBondContact NH1-O 2.82Å; R151-E197 VanDerWaalsContact NH1-O 3.1Å; R151-E197 IonicContact NH1-OE2 2.82Å; R151-E197 PolarHBondContact NH1-OE2 3.4Å; R151-E197 PolarHBondContact NH2-O 2.91Å
152L95.5Very high91.3Very high107 Ų10736.4 Ų36.456%0.5621%0.207SC*.  trans-58.8121.6173.3-17664.2000109.5P102P102-L152 HydrophobicContact CB-CB 4.16Å; P102-L152 HydrophobicContact CB-CD1 4.36Å; P102-L152 WeakPolarHBondContact O-CD1 3.16Å
153S95.4Very high92.7Very high18 Ų1837.9 Ų37.913%0.12621%0.213CC..  trans-154147.7-177.149.70000111R151 P155 Q157R151-S153 PolarHBondContact O-N 3.15Å; R151-S153 VanDerWaalsContact O-N 3.16Å; R151-S153 PolarHBondContact O-OG 3.42Å; S153-P155 CarbonylContact C-O 3.58Å; S153-P155 WeakPolarHBondContact CB-O 3.47Å; S153-P155 CarbonylContact O-C 3.57Å; S153-P155 PolarHBondContact OG-O 3.24Å; S153-Q157 PolarHBondContact OG-N 2.8Å
154S94.2Very high94.1Very high122 Ų12228.6 Ų28.685%0.85317%0.169SC*.SBendtrans-135.2110.8172.1-1700000108.4
155P95.4Very high95.2Very high49 Ų4929.1 Ų29.132%0.31817%0.17SC..SBendcis-68.2160.1230.4-36.1000113.3S153 Q157 Q171S153-P155 CarbonylContact C-O 3.58Å; S153-P155 WeakPolarHBondContact CB-O 3.47Å; S153-P155 CarbonylContact O-C 3.57Å; S153-P155 PolarHBondContact OG-O 3.24Å; P155-Q157 WeakPolarHBondContact O-CG 3.36Å; P155-Q171 HydrophobicContact CB-CG 4.01Å; P155-Q171 VanDerWaalsContact CB-NE2 3.33Å; P155-Q171 HydrophobicContact CG-CG 3.85Å
156P96.4Very high95.5Very high37 Ų3729.5 Ų29.524%0.2417%0.172CC..  trans-61.5135.3179.3-24.134.7000113.3I101 T104 L172I101-P156 HydrophobicContact CG2-CB 3.91Å; T104-P156 HydrophobicContact CG2-CB 4.32Å; T104-P156 HydrophobicContact CG2-CG 3.83Å; P156-L172 HydrophobicContact CB-CB 4.45Å; P156-L172 HydrophobicContact CB-CD1 4.02Å; P156-L172 PolarHBondContact O-N 3.11Å
157Q96.6Very high95.7Very high25 Ų2529.5 Ų29.512%0.11717%0.172CC..EExtended strand (participates in β ladder)trans-131.6152.4-175.4-64.6166.311.300111.5S153 P155 L169 T170 L178S153-Q157 PolarHBondContact OG-N 2.8Å; P155-Q157 WeakPolarHBondContact O-CG 3.36Å; Q157-L169 HydrophobicContact CB-CD1 3.99Å; Q157-T170 CarbonylContact C-O 3.53Å; Q157-T170 VanDerWaalsContact CA-O 3.29Å; Q157-T170 WeakPolarHBondContact CA-O 3.3Å; Q157-L178 HydrophobicContact CG-CD1 3.68Å; Q157-L178 VanDerWaalsContact NE2-CD1 3.29Å
158V97.4Very high95.7Very high0 Ų027 Ų270%016%0.163CC..EExtended strand (participates in β ladder)trans-133.4132.6174.569.20000110.6I101 V108 L117 L136 I148 L169 T170 L172I101-V158 HydrophobicContact CD1-CB 4.44Å; I101-V158 HydrophobicContact CD1-CG2 4.49Å; V108-V158 HydrophobicContact CG2-CG2 4.46Å; L117-V158 HydrophobicContact CD1-CG1 4.36Å; L136-V158 HydrophobicContact CD1-CG1 4.17Å; I148-V158 HydrophobicContact CG2-CG2 3.4Å; V158-L169 WeakPolarHBondContact O-CA 3.4Å; V158-T170 PolarHBondContact N-O 3.32Å; V158-T170 PolarHBondContact O-N 3.41Å; V158-L172 HydrophobicContact CB-CD2 3.89Å; V158-L172 HydrophobicContact CB-CG 4.48Å; V158-L172 HydrophobicContact CG1-CD2 3.4Å; V158-L172 HydrophobicContact CG1-CG 4.34Å
159L97.9Very high95.7Very high0 Ų026.6 Ų26.60%016%0.161CC..EExtended strand (participates in β ladder)trans-92.8129.2169.4-177.474.5000108I148 A149 V167 Q168 L169 L192 F194 F200I148-L159 CarbonylContact C-O 3.55Å; I148-L159 WeakPolarHBondContact CA-O 3.19Å; A149-L159 HydrophobicContact CB-CB 4.33Å; A149-L159 HydrophobicContact CB-CD2 4.37Å; A149-L159 PolarHBondContact N-O 2.82Å; A149-L159 PolarHBondContact O-N 3.4Å; L159-V167 HydrophobicContact CD1-CG1 3.83Å; L159-V167 HydrophobicContact CG-CG1 4.38Å; L159-Q168 WeakPolarHBondContact CA-O 3.27Å; L159-L169 HydrophobicContact CB-CD1 4.2Å; L159-L169 HydrophobicContact CD1-CB 4.33Å; L159-L192 HydrophobicContact CD2-CB 4.46Å; L159-L192 HydrophobicContact CD2-CD2 4.2Å; L159-L192 HydrophobicContact CG-CD1 4.43Å; L159-F194 HydrophobicContact CB-CE2 3.71Å; L159-F194 HydrophobicContact CB-CZ 3.71Å; L159-F194 HydrophobicContact CD2-CE2 4.38Å; L159-F194 HydrophobicContact CD2-CZ 4.28Å; L159-F194 HydrophobicContact CG-CZ 4.5Å; L159-F200 HydrophobicContact CD1-CD1 4.22Å; L159-F200 HydrophobicContact CD1-CD2 4.4Å; L159-F200 HydrophobicContact CD1-CE1 4.09Å; L159-F200 HydrophobicContact CD1-CE2 4.29Å; L159-F200 HydrophobicContact CD1-CG 4.36Å; L159-F200 HydrophobicContact CD1-CZ 4.12Å; L159-F200 HydrophobicContact CD2-CB 3.69Å; L159-F200 HydrophobicContact CD2-CD1 4.13Å; L159-F200 HydrophobicContact CD2-CD2 3.55Å; L159-F200 HydrophobicContact CD2-CE2 4.17Å; L159-F200 HydrophobicContact CD2-CG 3.52Å
160H96.9Very high95.7Very high2 Ų226.4 Ų26.41%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-154157.7-177.365.8108.7000112.8L117 R147 V167 Q168 T170L117-H160 HydrophobicContact CD1-CB 3.78Å; R147-H160 VanDerWaalsContact O-CA 3.24Å; R147-H160 WeakPolarHBondContact O-CA 3.36Å; H160-V167 CarbonylContact O-C 3.54Å; H160-V167 WeakPolarHBondContact O-CA 3.32Å; H160-Q168 PolarHBondContact CE1-NE2 3.27Å; H160-Q168 PolarHBondContact N-O 3.07Å; H160-Q168 PolarHBondContact O-N 2.87Å; H160-T170 PolarHBondContact NE2-OG1 3.32Å
161G95.5Very high95.7Very high1 Ų126.7 Ų26.71%0.0116%0.157CC..EExtended strand (participates in β ladder)trans173.3154.8174.800000110.2S146 R147 L189S146-G161 CarbonylContact C-O 3.4Å; S146-G161 WeakPolarHBondContact CA-O 3.28Å; R147-G161 PolarHBondContact N-O 3.41Å; R147-G161 PolarHBondContact O-N 2.88Å; G161-L189 WeakPolarHBondContact O-CD1 3.25Å
162A93.8Very high95.7Very high2 Ų225.6 Ų25.62%0.01715%0.154CC..SBendtrans-98.8-28173.100000112.2A144 S166 L189A144-A162 WeakPolarHBondContact O-CB 3.24Å; A162-S166 PolarHBondContact N-OG 3.41Å; A162-S166 VanDerWaalsContact N-OG 3.11Å; A162-L189 PolarHBondContact O-N 3.42Å
163Q94.6Very high95.5Very high45 Ų4524.7 Ų24.721%0.2116%0.156CC..BIsolated β-bridgetrans-129.2159.8179.8-67.2174.5-37.600109S165 S166 V167 T186 E187Q163-S165 VanDerWaalsContact C-N 3.33Å; Q163-S165 PolarHBondContact O-N 2.77Å; Q163-S166 PolarHBondContact N-OG 3.44Å; Q163-S166 PolarHBondContact O-N 2.9Å; Q163-S166 PolarHBondContact O-OG 3.23Å; Q163-S166 VanDerWaalsContact O-OG 3.12Å; Q163-V167 PolarHBondContact O-N 3.14Å; Q163-T186 WeakPolarHBondContact CG-O 3.29Å; Q163-T186 PolarHBondContact NE2-O 3.11Å; Q163-E187 WeakPolarHBondContact CA-O 3.41Å
164S94.6Very high95.4Very high0 Ų027.9 Ų27.90%018%0.175CC..G310 helixtrans-53.5-45.1179.352.80000113.5S166 V167 V183 S185 E187S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 2.88Å; S164-V167 WeakPolarHBondContact O-CG2 3.44Å; S164-V167 PolarHBondContact O-N 2.79Å; S164-V183 VanDerWaalsContact C-CG2 3.47Å; S164-V183 WeakPolarHBondContact O-CG2 3.49Å; S164-S185 VanDerWaalsContact OG-CB 3.28Å; S164-S185 WeakPolarHBondContact OG-CB 3.46Å; S164-S185 PolarHBondContact OG-O 2.84Å; S164-S185 PolarHBondContact OG-OG 2.99Å; S164-E187 PolarHBondContact N-O 3.46Å; S164-E187 PolarHBondContact OG-N 3.46Å
165S93.6Very high95.4Very high49 Ų4923.8 Ų23.834%0.34315%0.152SC..G310 helixtrans-71.9-12.6175.643.20000115.4Q163 V183 S185Q163-S165 VanDerWaalsContact C-N 3.33Å; Q163-S165 PolarHBondContact O-N 2.77Å; S165-V183 WeakPolarHBondContact CB-O 3.12Å; S165-S185 WeakPolarHBondContact CB-O 3.22Å; S165-S185 PolarHBondContact N-O 2.8Å; S165-S185 VanDerWaalsContact N-O 3.16Å; S165-S185 PolarHBondContact OG-O 2.85Å
166S94.1Very high95.4Very high12 Ų1226.8 Ų26.88%0.08416%0.162CC..G310 helixtrans-98.41.2178.770.90000113.9S140 A162 Q163 S164 Q168S140-S166 PolarHBondContact OG-OG 3.22Å; A162-S166 PolarHBondContact N-OG 3.41Å; A162-S166 VanDerWaalsContact N-OG 3.11Å; Q163-S166 PolarHBondContact N-OG 3.44Å; Q163-S166 PolarHBondContact O-N 2.9Å; Q163-S166 PolarHBondContact O-OG 3.23Å; Q163-S166 VanDerWaalsContact O-OG 3.12Å; S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 2.88Å; S166-Q168 PolarHBondContact O-N 2.66Å
167V96.1Very high95.4Very high1 Ų127.2 Ų27.21%0.00616%0.164CC..  trans-66.1125.3179.6177.10000111.4L159 H160 Q163 S164 L181 L189 L192 F200 A202L159-V167 HydrophobicContact CD1-CG1 3.83Å; L159-V167 HydrophobicContact CG-CG1 4.38Å; H160-V167 CarbonylContact O-C 3.54Å; H160-V167 WeakPolarHBondContact O-CA 3.32Å; Q163-V167 PolarHBondContact O-N 3.14Å; S164-V167 WeakPolarHBondContact O-CG2 3.44Å; S164-V167 PolarHBondContact O-N 2.79Å; V167-L181 HydrophobicContact CB-CB 3.72Å; V167-L181 HydrophobicContact CB-CD2 3.99Å; V167-L181 HydrophobicContact CG1-CB 4.03Å; V167-L181 HydrophobicContact CG1-CD2 4.33Å; V167-L181 HydrophobicContact CG2-CD2 4.15Å; V167-L181 PolarHBondContact O-N 3.28Å; V167-L189 HydrophobicContact CG2-CD1 3.45Å; V167-L189 VanDerWaalsContact CG2-CD1 3.45Å; V167-L189 HydrophobicContact CG2-CD2 4.29Å; V167-L189 HydrophobicContact CG2-CG 4.43Å; V167-L192 HydrophobicContact CG1-CD2 4.1Å; V167-L192 HydrophobicContact CG2-CD2 3.98Å; V167-F200 HydrophobicContact CG1-CE2 3.8Å; V167-F200 HydrophobicContact CG1-CZ 3.99Å; V167-A202 HydrophobicContact CG2-CB 4.21Å
168Q96.1Very high95.3Very high8 Ų829.4 Ų29.44%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-147.1150.5178.961.1-178-12.900112.6L159 H160 S166 T177 Y179 R180L159-Q168 WeakPolarHBondContact CA-O 3.27Å; H160-Q168 PolarHBondContact CE1-NE2 3.27Å; H160-Q168 PolarHBondContact N-O 3.07Å; H160-Q168 PolarHBondContact O-N 2.87Å; S166-Q168 PolarHBondContact O-N 2.66Å; Q168-T177 HydrophobicContact CB-CG2 4.07Å; Q168-T177 PolarHBondContact OE1-OG1 3.12Å; Q168-Y179 CarbonylContact C-O 3.57Å; Q168-Y179 VanDerWaalsContact CA-O 3.24Å; Q168-Y179 WeakPolarHBondContact CA-O 3.28Å; Q168-Y179 WeakPolarHBondContact CB-O 3.34Å; Q168-R180 HydrophobicContact CB-CG 4.12Å
169L97.3Very high95.3Very high5 Ų530.7 Ų30.73%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-98.9124.6170.5-175.363.2000108.7Q157 V158 L159 T177 L178 Y179 F194 T214Q157-L169 HydrophobicContact CB-CD1 3.99Å; V158-L169 WeakPolarHBondContact O-CA 3.4Å; L159-L169 HydrophobicContact CB-CD1 4.2Å; L159-L169 HydrophobicContact CD1-CB 4.33Å; L169-T177 CarbonylContact O-C 3.56Å; L169-L178 HydrophobicContact CB-CB 4.47Å; L169-L178 HydrophobicContact CD2-CB 4.28Å; L169-L178 HydrophobicContact CD2-CD1 4.45Å; L169-L178 HydrophobicContact CG-CB 4.3Å; L169-L178 HydrophobicContact CG-CD1 4.45Å; L169-L178 PolarHBondContact O-N 2.86Å; L169-Y179 PolarHBondContact N-O 2.92Å; L169-Y179 PolarHBondContact O-N 2.93Å; L169-F194 HydrophobicContact CD1-CZ 3.92Å; L169-T214 HydrophobicContact CD2-CG2 4.26Å
170T97.2Very high95.2Very high5 Ų537.1 Ų37.13%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-124.1135.4-176.3-54.70000110.8L136 Q157 V158 H160 Q176L136-T170 HydrophobicContact CD1-CG2 4.23Å; Q157-T170 CarbonylContact C-O 3.53Å; Q157-T170 VanDerWaalsContact CA-O 3.29Å; Q157-T170 WeakPolarHBondContact CA-O 3.3Å; V158-T170 PolarHBondContact N-O 3.32Å; V158-T170 PolarHBondContact O-N 3.41Å; H160-T170 PolarHBondContact NE2-OG1 3.32Å; T170-Q176 WeakPolarHBondContact CA-O 3.29Å
171Q96.4Very high95.1Very high29 Ų2937.2 Ų37.214%0.13621%0.206CC..EExtended strand (participates in β ladder)trans-77.4123.7169.4-177.8178.8-20.400110.1P155 S173 G175 Q176 L178P155-Q171 HydrophobicContact CB-CG 4.01Å; P155-Q171 VanDerWaalsContact CB-NE2 3.33Å; P155-Q171 HydrophobicContact CG-CG 3.85Å; Q171-S173 PolarHBondContact NE2-OG 2.97Å; Q171-S173 PolarHBondContact O-N 2.87Å; Q171-G175 WeakPolarHBondContact O-CA 2.97Å; Q171-G175 PolarHBondContact O-N 3.16Å; Q171-Q176 PolarHBondContact N-O 2.79Å; Q171-L178 HydrophobicContact CB-CD1 4.15Å; Q171-L178 HydrophobicContact CB-CD2 4.42Å; Q171-L178 HydrophobicContact CB-CG 4.3Å
172L95.1Very high95Very high20 Ų2044 Ų4411%0.10524%0.237CC..THydrogen-bonded Turntrans-66.2-39.2-170.9-67.4-179.7000113.6I101 V108 L119 L136 P156 V158 T174I101-L172 HydrophobicContact CB-CD1 4.42Å; I101-L172 HydrophobicContact CD1-CD1 3.83Å; I101-L172 HydrophobicContact CG1-CD1 3.64Å; I101-L172 HydrophobicContact CG2-CD1 4.06Å; V108-L172 HydrophobicContact CG2-CD1 4.35Å; V108-L172 HydrophobicContact CG2-CD2 4.19Å; L119-L172 HydrophobicContact CD2-CD2 3.86Å; L136-L172 HydrophobicContact CD1-CD2 3.7Å; P156-L172 HydrophobicContact CB-CB 4.45Å; P156-L172 HydrophobicContact CB-CD1 4.02Å; P156-L172 PolarHBondContact O-N 3.11Å; V158-L172 HydrophobicContact CB-CD2 3.89Å; V158-L172 HydrophobicContact CB-CG 4.48Å; V158-L172 HydrophobicContact CG1-CD2 3.4Å; V158-L172 HydrophobicContact CG1-CG 4.34Å; L172-T174 VanDerWaalsContact C-N 3.33Å; L172-T174 PolarHBondContact O-N 3.36Å
173S91.3Very high95Very high88 Ų8845 Ų4562%0.61524%0.243SC*.THydrogen-bonded Turntrans-70.2-28.9-174.760.90000113.8Q171Q171-S173 PolarHBondContact NE2-OG 2.97Å; Q171-S173 PolarHBondContact O-N 2.87Å
174T92.7Very high94.8Very high86 Ų8651.2 Ų51.253%0.52828%0.278SS..THydrogen-bonded Turntrans-115.1-14.4-173.356.90000113.1L172 Q176L172-T174 VanDerWaalsContact C-N 3.33Å; L172-T174 PolarHBondContact O-N 3.36Å; T174-Q176 PolarHBondContact O-N 2.96Å; T174-Q176 VanDerWaalsContact OG1-CB 3.32Å; T174-Q176 WeakPolarHBondContact OG1-CB 3.17Å; T174-Q176 PolarHBondContact OG1-N 3.32Å
175G93.6Very high94.7Very high35 Ų3552.6 Ų52.636%0.36129%0.287SS..  trans67.111-169.100000113.5Q171 T177Q171-G175 WeakPolarHBondContact O-CA 2.97Å; Q171-G175 PolarHBondContact O-N 3.16Å; G175-T177 PolarHBondContact O-N 2.97Å
176Q95.6Very high94.6Very high113 Ų11354.1 Ų54.153%0.52830%0.295SS..  trans-72.1125.8-177.4-176.6179.87.800110.8T170 Q171 T174 L178T170-Q176 WeakPolarHBondContact CA-O 3.29Å; Q171-Q176 PolarHBondContact N-O 2.79Å; T174-Q176 PolarHBondContact O-N 2.96Å; T174-Q176 VanDerWaalsContact OG1-CB 3.32Å; T174-Q176 WeakPolarHBondContact OG1-CB 3.17Å; T174-Q176 PolarHBondContact OG1-N 3.32Å; Q176-L178 HydrophobicContact CG-CD2 4.27Å; Q176-L178 PolarHBondContact O-N 2.99Å
177T95.9Very high94.6Very high46 Ų4657.2 Ų57.228%0.28231%0.308SS..EExtended strand (participates in β ladder)trans-70.8121.4168.2-50.30000110Q168 L169 G175 Y179 R180Q168-T177 HydrophobicContact CB-CG2 4.07Å; Q168-T177 PolarHBondContact OE1-OG1 3.12Å; L169-T177 CarbonylContact O-C 3.56Å; G175-T177 PolarHBondContact O-N 2.97Å; T177-Y179 WeakPolarHBondContact CG2-O 3.44Å; T177-R180 HydrophobicContact CG2-CG 3.73Å; T177-R180 PolarHBondContact OG1-NH2 2.78Å
178L95.9Very high94.5Very high70 Ų7059.3 Ų59.337%0.36632%0.322SS..EExtended strand (participates in β ladder)trans-96.7-30.3179.8-57.7-179.5000112.6Q157 L169 Q171 Q176Q157-L178 HydrophobicContact CG-CD1 3.68Å; Q157-L178 VanDerWaalsContact NE2-CD1 3.29Å; L169-L178 HydrophobicContact CB-CB 4.47Å; L169-L178 HydrophobicContact CD2-CB 4.28Å; L169-L178 HydrophobicContact CD2-CD1 4.45Å; L169-L178 HydrophobicContact CG-CB 4.3Å; L169-L178 HydrophobicContact CG-CD1 4.45Å; L169-L178 PolarHBondContact O-N 2.86Å; Q171-L178 HydrophobicContact CB-CD1 4.15Å; Q171-L178 HydrophobicContact CB-CD2 4.42Å; Q171-L178 HydrophobicContact CB-CG 4.3Å; Q176-L178 HydrophobicContact CG-CD2 4.27Å; Q176-L178 PolarHBondContact O-N 2.99Å
179Y96.6Very high94.4Very high27 Ų2759.1 Ų59.111%0.10632%0.321CS..EExtended strand (participates in β ladder)trans-151.6149.8-179180-90.7000110.2Q168 L169 T177 L181 F200 T214Q168-Y179 CarbonylContact C-O 3.57Å; Q168-Y179 VanDerWaalsContact CA-O 3.24Å; Q168-Y179 WeakPolarHBondContact CA-O 3.28Å; Q168-Y179 WeakPolarHBondContact CB-O 3.34Å; L169-Y179 PolarHBondContact N-O 2.92Å; L169-Y179 PolarHBondContact O-N 2.93Å; T177-Y179 WeakPolarHBondContact CG2-O 3.44Å; Y179-L181 HydrophobicContact CE1-CB 4.41Å; Y179-F200 AromaticContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CZ 4.22Å; Y179-F200 AromaticContact CE1-CE1 3.62Å; Y179-F200 HydrophobicContact CE1-CE1 3.62Å; Y179-F200 AromaticContact CE1-CZ 3.7Å; Y179-F200 HydrophobicContact CE1-CZ 3.7Å; Y179-T214 HydrophobicContact CG-CG2 4.38Å
180R95.7Very high94.2Very high136 Ų13659.6 Ų59.651%0.51333%0.325SS..EExtended strand (participates in β ladder)trans-132.1139.6169.8-68.5-169176.4117.75.8109.8Q168 T177 E182Q168-R180 HydrophobicContact CB-CG 4.12Å; T177-R180 HydrophobicContact CG2-CG 3.73Å; T177-R180 PolarHBondContact OG1-NH2 2.78Å; R180-E182 PolarHBondContact O-N 2.83Å
181L95.4Very high94.1Very high3 Ų360.7 Ų60.72%0.01633%0.332CS..  trans-79.8109.6173-172.865.2000108.7V167 Y179 V183 F200 A202 A212 P220V167-L181 HydrophobicContact CB-CB 3.72Å; V167-L181 HydrophobicContact CB-CD2 3.99Å; V167-L181 HydrophobicContact CG1-CB 4.03Å; V167-L181 HydrophobicContact CG1-CD2 4.33Å; V167-L181 HydrophobicContact CG2-CD2 4.15Å; V167-L181 PolarHBondContact O-N 3.28Å; Y179-L181 HydrophobicContact CE1-CB 4.41Å; L181-V183 HydrophobicContact CD2-CG1 4.47Å; L181-V183 HydrophobicContact CD2-CG2 4.33Å; L181-V183 HydrophobicContact CG-CG1 4.08Å; L181-V183 HydrophobicContact CG-CG2 4.28Å; L181-V183 PolarHBondContact O-N 3.43Å; L181-F200 HydrophobicContact CB-CZ 4.47Å; L181-F200 HydrophobicContact CD1-CE2 4.46Å; L181-F200 HydrophobicContact CD1-CZ 4.15Å; L181-F200 HydrophobicContact CD2-CE2 4.48Å; L181-A202 HydrophobicContact CD2-CB 3.88Å; L181-A212 HydrophobicContact CD1-CB 3.73Å; L181-P220 HydrophobicContact CD1-CB 3.72Å; L181-P220 HydrophobicContact CD1-CG 3.71Å
182E93.4Very high94.1Very high145 Ų14559.9 Ų59.968%0.67833%0.329SS*.  trans-8695.1-179.8-60.4-6314900109.9R180R180-E182 PolarHBondContact O-N 2.83Å
183V93.8Very high94.2Very high23 Ų2362.1 Ų62.114%0.13934%0.338CS..  trans-139.4144.1175.5-65.40000110.5S164 S165 L181 S185 Y210 P220S164-V183 VanDerWaalsContact C-CG2 3.47Å; S164-V183 WeakPolarHBondContact O-CG2 3.49Å; S165-V183 WeakPolarHBondContact CB-O 3.12Å; L181-V183 HydrophobicContact CD2-CG1 4.47Å; L181-V183 HydrophobicContact CD2-CG2 4.33Å; L181-V183 HydrophobicContact CG-CG1 4.08Å; L181-V183 HydrophobicContact CG-CG2 4.28Å; L181-V183 PolarHBondContact O-N 3.43Å; V183-S185 PolarHBondContact O-N 2.81Å; V183-Y210 HydrophobicContact CB-CE1 4.43Å; V183-Y210 HydrophobicContact CG1-CD1 3.89Å; V183-Y210 HydrophobicContact CG1-CE1 3.77Å; V183-Y210 HydrophobicContact CG1-CG 4.48Å; V183-P220 HydrophobicContact CG1-CG 3.51Å
184D91Very high94.4Very high175 Ų17559.1 Ų59.194%0.93631%0.314SS*.SBendtrans-80.9-5.1179.9-63.2-39.1000113.4
185S91.8Very high94.5Very high28 Ų2856 Ų5620%0.19629%0.294CS..  trans-78.6144.5-179.4172.10000111.1S164 S165 V183 E187 Y210S164-S185 VanDerWaalsContact OG-CB 3.28Å; S164-S185 WeakPolarHBondContact OG-CB 3.46Å; S164-S185 PolarHBondContact OG-O 2.84Å; S164-S185 PolarHBondContact OG-OG 2.99Å; S165-S185 WeakPolarHBondContact CB-O 3.22Å; S165-S185 PolarHBondContact N-O 2.8Å; S165-S185 VanDerWaalsContact N-O 3.16Å; S165-S185 PolarHBondContact OG-O 2.85Å; V183-S185 PolarHBondContact O-N 2.81Å; S185-E187 WeakPolarHBondContact OG-CG 3.45Å; S185-E187 PolarHBondContact OG-N 2.85Å; S185-Y210 WeakPolarHBondContact CB-OH 3.45Å
186T92.3Very high94.5Very high82 Ų8256.9 Ų56.950%0.50330%0.295SS..  trans-115.721.9170.9590000111.8Q163Q163-T186 WeakPolarHBondContact CG-O 3.29Å; Q163-T186 PolarHBondContact NE2-O 3.11Å
187E93.4Very high94.3Very high77 Ų7756.7 Ų56.736%0.3629%0.294SS..PPolyproline II helixtrans-63133.8-179.7-70.5-53.9131.700110.6Q163 S164 S185 C204Q163-E187 WeakPolarHBondContact CA-O 3.41Å; S164-E187 PolarHBondContact N-O 3.46Å; S164-E187 PolarHBondContact OG-N 3.46Å; S185-E187 WeakPolarHBondContact OG-CG 3.45Å; S185-E187 PolarHBondContact OG-N 2.85Å; E187-C204 HydrophobicContact CB-CB 3.96Å
188P93.6Very high94.2Very high45 Ų4556.2 Ų56.229%0.29229%0.291SS..BIsolated β-bridgetrans-58.7143175.5-23.834000112C204 C205P188-C204 CarbonylContact O-C 3.58Å; P188-C204 VanDerWaalsContact O-CA 3.3Å; P188-C204 WeakPolarHBondContact O-CA 3.3Å; P188-C205 PolarHBondContact O-N 2.81Å
189L94.4Very high94.2Very high3 Ų353.6 Ų53.62%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-80.6132.2177.9-63.4175.2000111.3R147 G161 A162 V167 L192 A202 S203R147-L189 HydrophobicContact CB-CB 4.39Å; R147-L189 HydrophobicContact CG-CB 3.78Å; R147-L189 PolarHBondContact NE-O 3.11Å; G161-L189 WeakPolarHBondContact O-CD1 3.25Å; A162-L189 PolarHBondContact O-N 3.42Å; V167-L189 HydrophobicContact CG2-CD1 3.45Å; V167-L189 VanDerWaalsContact CG2-CD1 3.45Å; V167-L189 HydrophobicContact CG2-CD2 4.29Å; V167-L189 HydrophobicContact CG2-CG 4.43Å; L189-L192 HydrophobicContact CD1-CD1 3.9Å; L189-L192 HydrophobicContact CD1-CD2 3.99Å; L189-L192 HydrophobicContact CD1-CG 3.86Å; L189-A202 HydrophobicContact CD2-CB 4.15Å; L189-S203 CarbonylContact C-O 3.53Å; L189-S203 WeakPolarHBondContact CA-O 3.44Å
190S93.6Very high94.2Very high16 Ų1652.3 Ų52.311%0.11228%0.275CS..EExtended strand (participates in β ladder)trans-84.4-38.9165.857.70000110.9R147 S203 C204 W232R147-S190 PolarHBondContact NE-O 3.42Å; S190-S203 PolarHBondContact N-O 3.26Å; S190-S203 PolarHBondContact OG-O 3.17Å; S190-C204 PolarHBondContact OG-O 3.22Å; S190-W232 VanDerWaalsContact CB-O 3.27Å; S190-W232 WeakPolarHBondContact CB-O 3.36Å; S190-W232 PolarHBondContact OG-O 2.9Å
191S94.9Very high94.2Very high27 Ų2745.9 Ų45.919%0.18925%0.251CS..EExtended strand (participates in β ladder)trans-154.3149-176.7-178.70000113S203 T234S191-S203 PolarHBondContact N-O 3.11Å; S191-S203 PolarHBondContact O-N 2.73Å; S191-T234 WeakPolarHBondContact CB-O 3.44Å; S191-T234 PolarHBondContact OG-O 3.06Å
192L96.6Very high94.3Very high12 Ų1245.8 Ų45.86%0.06325%0.25CC..EExtended strand (participates in β ladder)trans-125.5132.8167.1-78.1177.5000108.5R147 A149 L159 V167 L189 L201 A202R147-L192 HydrophobicContact CB-CB 4.08Å; R147-L192 HydrophobicContact CB-CD1 3.81Å; R147-L192 HydrophobicContact CB-CG 3.81Å; R147-L192 WeakPolarHBondContact O-CD1 3.5Å; A149-L192 HydrophobicContact CB-CB 4.18Å; L159-L192 HydrophobicContact CD2-CB 4.46Å; L159-L192 HydrophobicContact CD2-CD2 4.2Å; L159-L192 HydrophobicContact CG-CD1 4.43Å; V167-L192 HydrophobicContact CG1-CD2 4.1Å; V167-L192 HydrophobicContact CG2-CD2 3.98Å; L189-L192 HydrophobicContact CD1-CD1 3.9Å; L189-L192 HydrophobicContact CD1-CD2 3.99Å; L189-L192 HydrophobicContact CD1-CG 3.86Å; L192-L201 WeakPolarHBondContact CA-O 3.42Å; L192-A202 HydrophobicContact CD2-CB 3.6Å
193K96.2Very high94.5Very high67 Ų6739 Ų3929%0.29122%0.218SC..EExtended strand (participates in β ladder)trans-152133.5-179.1-169166.5-168.3177.20112.5F200 L201 D235 A236K193-F200 CarbonylContact O-C 3.55Å; K193-F200 VanDerWaalsContact O-CA 3.25Å; K193-F200 WeakPolarHBondContact O-CA 3.12Å; K193-F200 WeakPolarHBondContact O-CB 3.34Å; K193-L201 PolarHBondContact N-O 3.3Å; K193-L201 VanDerWaalsContact N-O 3.07Å; K193-L201 PolarHBondContact O-N 2.83Å; K193-D235 WeakPolarHBondContact CD-OD1 3.41Å; K193-D235 WeakPolarHBondContact CE-OD1 3.47Å; K193-D235 VanDerWaalsContact NZ-CG 3.3Å; K193-D235 IonicContact NZ-OD1 2.66Å; K193-D235 PolarHBondContact NZ-OD1 3.09Å; K193-D235 IonicContact NZ-OD2 3.14Å; K193-D235 PolarHBondContact NZ-OD2 3.49Å; K193-D235 VanDerWaalsContact NZ-OD2 3.14Å; K193-A236 VanDerWaalsContact CE-O 3.24Å; K193-A236 WeakPolarHBondContact CE-O 3.18Å; K193-A236 PolarHBondContact NZ-O 2.85Å
194F96.4Very high94.6Very high26 Ų2637.9 Ų37.911%0.11421%0.212CC..EExtended strand (participates in β ladder)trans-72.6131.3165.9-75.8-76.2000110.1A149 R151 L159 L169 F200A149-F194 HydrophobicContact CB-CD2 4.09Å; A149-F194 HydrophobicContact CB-CE2 4.31Å; R151-F194 HydrophobicContact CB-CB 4.49Å; R151-F194 HydrophobicContact CB-CD2 3.86Å; R151-F194 HydrophobicContact CB-CE2 4.21Å; R151-F194 HydrophobicContact CB-CG 4.1Å; R151-F194 HydrophobicContact CG-CD1 4.36Å; R151-F194 HydrophobicContact CG-CD2 4.02Å; R151-F194 HydrophobicContact CG-CE1 4.26Å; R151-F194 HydrophobicContact CG-CE2 3.92Å; R151-F194 HydrophobicContact CG-CG 4.23Å; R151-F194 HydrophobicContact CG-CZ 4.03Å; L159-F194 HydrophobicContact CB-CE2 3.71Å; L159-F194 HydrophobicContact CB-CZ 3.71Å; L159-F194 HydrophobicContact CD2-CE2 4.38Å; L159-F194 HydrophobicContact CD2-CZ 4.28Å; L159-F194 HydrophobicContact CG-CZ 4.5Å; L169-F194 HydrophobicContact CD1-CZ 3.92Å; F194-F200 HydrophobicContact CD1-CB 3.93Å; F194-F200 HydrophobicContact CE1-CB 4.25Å; F194-F200 HydrophobicContact CG-CB 4.49Å
195V94.8Very high94.7Very high19 Ų1930.7 Ų30.712%0.11518%0.175CC..SBendtrans-108.6-9.1175.3-64.50000112.3A199 L201 L211 A236 A238 L258V195-A199 HydrophobicContact CG2-CB 4Å; V195-A199 WeakPolarHBondContact CG2-O 3.27Å; V195-A199 PolarHBondContact N-O 3.03Å; V195-L201 HydrophobicContact CG1-CD1 3.95Å; V195-L201 HydrophobicContact CG1-CG 3.84Å; V195-L211 HydrophobicContact CG2-CD1 3.92Å; V195-A236 HydrophobicContact CG1-CB 3.96Å; V195-A238 WeakPolarHBondContact O-CB 3.34Å; V195-L258 HydrophobicContact CB-CD1 4.02Å; V195-L258 HydrophobicContact CG1-CD1 4.08Å; V195-L258 HydrophobicContact CG1-CD2 4.09Å
196S92.8Very high94.8Very high55 Ų5531.6 Ų31.639%0.38518%0.178SC..SBendtrans-160.1-176.4167.368.90000109.8T198 A199S196-T198 PolarHBondContact O-N 3.15Å; S196-T198 PolarHBondContact OG-N 2.67Å; S196-A199 PolarHBondContact N-O 3.01Å; S196-A199 VanDerWaalsContact N-O 3.17Å; S196-A199 WeakPolarHBondContact OG-CB 3.07Å; S196-A199 PolarHBondContact OG-N 3.04Å
197E92.4Very high95Very high109 Ų10927.7 Ų27.751%0.50915%0.154SC..SBendtrans-61.2-22.2173.9-67.2-54.4142.100114.4R151R151-E197 IonicContact CZ-OE2 3.42Å; R151-E197 PolarHBondContact NE-O 2.77Å; R151-E197 VanDerWaalsContact NE-O 3.15Å; R151-E197 PolarHBondContact NH1-O 2.82Å; R151-E197 VanDerWaalsContact NH1-O 3.1Å; R151-E197 IonicContact NH1-OE2 2.82Å; R151-E197 PolarHBondContact NH1-OE2 3.4Å; R151-E197 PolarHBondContact NH2-O 2.91Å
198T93.5Very high95.1Very high35 Ų3524.8 Ų24.822%0.21514%0.141CC..SBendtrans-128.5-1.4-172.664.40000112.9S196 D213 T214 R215S196-T198 PolarHBondContact O-N 3.15Å; S196-T198 PolarHBondContact OG-N 2.67Å; T198-D213 CarbonylContact O-C 3.44Å; T198-D213 VanDerWaalsContact O-CA 3.27Å; T198-D213 WeakPolarHBondContact O-CA 3.29Å; T198-T214 PolarHBondContact O-N 3.02Å; T198-T214 PolarHBondContact O-OG1 2.67Å; T198-R215 HydrophobicContact CG2-CG 3.93Å; T198-R215 PolarHBondContact OG1-NE 2.64Å
199A95.1Very high95.2Very high15 Ų1522.7 Ų22.712%0.12413%0.128CC..EExtended strand (participates in β ladder)trans-132.6143.9-176.900000111.6V195 S196 L211 A212V195-A199 HydrophobicContact CG2-CB 4Å; V195-A199 WeakPolarHBondContact CG2-O 3.27Å; V195-A199 PolarHBondContact N-O 3.03Å; S196-A199 PolarHBondContact N-O 3.01Å; S196-A199 VanDerWaalsContact N-O 3.17Å; S196-A199 WeakPolarHBondContact OG-CB 3.07Å; S196-A199 PolarHBondContact OG-N 3.04Å; A199-L211 HydrophobicContact CB-CD1 4.37Å; A199-A212 WeakPolarHBondContact CA-O 3.43Å; A199-A212 WeakPolarHBondContact CB-O 3.2Å
200F96.8Very high95.3Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-138.4159.3179.270.7-94.9000111.2L159 V167 Y179 L181 K193 F194 A202 A212 T214L159-F200 HydrophobicContact CD1-CD1 4.22Å; L159-F200 HydrophobicContact CD1-CD2 4.4Å; L159-F200 HydrophobicContact CD1-CE1 4.09Å; L159-F200 HydrophobicContact CD1-CE2 4.29Å; L159-F200 HydrophobicContact CD1-CG 4.36Å; L159-F200 HydrophobicContact CD1-CZ 4.12Å; L159-F200 HydrophobicContact CD2-CB 3.69Å; L159-F200 HydrophobicContact CD2-CD1 4.13Å; L159-F200 HydrophobicContact CD2-CD2 3.55Å; L159-F200 HydrophobicContact CD2-CE2 4.17Å; L159-F200 HydrophobicContact CD2-CG 3.52Å; V167-F200 HydrophobicContact CG1-CE2 3.8Å; V167-F200 HydrophobicContact CG1-CZ 3.99Å; Y179-F200 AromaticContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CE1 3.92Å; Y179-F200 HydrophobicContact CD1-CZ 4.22Å; Y179-F200 AromaticContact CE1-CE1 3.62Å; Y179-F200 HydrophobicContact CE1-CE1 3.62Å; Y179-F200 AromaticContact CE1-CZ 3.7Å; Y179-F200 HydrophobicContact CE1-CZ 3.7Å; L181-F200 HydrophobicContact CB-CZ 4.47Å; L181-F200 HydrophobicContact CD1-CE2 4.46Å; L181-F200 HydrophobicContact CD1-CZ 4.15Å; L181-F200 HydrophobicContact CD2-CE2 4.48Å; K193-F200 CarbonylContact O-C 3.55Å; K193-F200 VanDerWaalsContact O-CA 3.25Å; K193-F200 WeakPolarHBondContact O-CA 3.12Å; K193-F200 WeakPolarHBondContact O-CB 3.34Å; F194-F200 HydrophobicContact CD1-CB 3.93Å; F194-F200 HydrophobicContact CE1-CB 4.25Å; F194-F200 HydrophobicContact CG-CB 4.49Å; F200-A202 HydrophobicContact CE2-CB 4.23Å; F200-A212 HydrophobicContact CD1-CB 4.21Å; F200-A212 HydrophobicContact CE1-CB 3.63Å; F200-A212 HydrophobicContact CE2-CB 4.01Å; F200-A212 HydrophobicContact CZ-CB 3.52Å; F200-A212 PolarHBondContact N-O 3.17Å; F200-A212 PolarHBondContact O-N 3.31Å; F200-A212 VanDerWaalsContact O-N 3.07Å; F200-T214 HydrophobicContact CD1-CG2 3.74Å; F200-T214 HydrophobicContact CE1-CG2 3.83Å
201L97.1Very high95.5Very high2 Ų224.5 Ų24.51%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-104.4135168.4-69.9-179.5000110.8L192 K193 V195 V209 Y210 L211 A236 V244 L258 L261L192-L201 WeakPolarHBondContact CA-O 3.42Å; K193-L201 PolarHBondContact N-O 3.3Å; K193-L201 VanDerWaalsContact N-O 3.07Å; K193-L201 PolarHBondContact O-N 2.83Å; V195-L201 HydrophobicContact CG1-CD1 3.95Å; V195-L201 HydrophobicContact CG1-CG 3.84Å; L201-V209 HydrophobicContact CD1-CG1 4.46Å; L201-V209 HydrophobicContact CD2-CG1 3.73Å; L201-V209 HydrophobicContact CG-CG1 4.5Å; L201-Y210 CarbonylContact C-O 3.59Å; L201-Y210 VanDerWaalsContact CA-O 3.29Å; L201-Y210 WeakPolarHBondContact CA-O 3.49Å; L201-L211 HydrophobicContact CD2-CB 3.78Å; L201-L211 HydrophobicContact CD2-CD1 3.73Å; L201-L211 HydrophobicContact CD2-CG 4.32Å; L201-L211 HydrophobicContact CG-CD1 4.45Å; L201-A236 HydrophobicContact CD1-CB 3.41Å; L201-A236 VanDerWaalsContact CD1-CB 3.41Å; L201-V244 HydrophobicContact CD1-CG2 3.94Å; L201-L258 HydrophobicContact CD1-CD2 3.74Å; L201-L258 HydrophobicContact CD2-CD2 4.21Å; L201-L258 HydrophobicContact CG-CD2 4.2Å; L201-L261 HydrophobicContact CD2-CD1 4.43Å
202A97.4Very high95.5Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-113114.8162.200000109.2V167 L181 L189 L192 F200 Y210V167-A202 HydrophobicContact CG2-CB 4.21Å; L181-A202 HydrophobicContact CD2-CB 3.88Å; L189-A202 HydrophobicContact CD2-CB 4.15Å; L192-A202 HydrophobicContact CD2-CB 3.6Å; F200-A202 HydrophobicContact CE2-CB 4.23Å; A202-Y210 PolarHBondContact N-O 3.17Å; A202-Y210 PolarHBondContact O-N 2.83Å
203S96.4Very high95.5Very high2 Ų224.7 Ų24.71%0.01413%0.134CC..EExtended strand (participates in β ladder)trans-109.9132.7-176.9-49.70000109.3L189 S190 S191 T234L189-S203 CarbonylContact C-O 3.53Å; L189-S203 WeakPolarHBondContact CA-O 3.44Å; S190-S203 PolarHBondContact N-O 3.26Å; S190-S203 PolarHBondContact OG-O 3.17Å; S191-S203 PolarHBondContact N-O 3.11Å; S191-S203 PolarHBondContact O-N 2.73Å; S203-T234 WeakPolarHBondContact OG-CB 3.47Å; S203-T234 VanDerWaalsContact OG-CG2 3.32Å; S203-T234 WeakPolarHBondContact OG-CG2 3.43Å
204C95.7Very high95.5Very high0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans-99.1158-177.8-65.40000111.4E187 P188 S190 D206 G207 T208E187-C204 HydrophobicContact CB-CB 3.96Å; P188-C204 CarbonylContact O-C 3.58Å; P188-C204 VanDerWaalsContact O-CA 3.3Å; P188-C204 WeakPolarHBondContact O-CA 3.3Å; S190-C204 PolarHBondContact OG-O 3.22Å; C204-D206 WeakPolarHBondContact CB-OD1 3.49Å; C204-D206 PolarHBondContact O-N 3.4Å; C204-G207 PolarHBondContact O-N 3.16Å; C204-G207 VanDerWaalsContact O-N 3.14Å; C204-T208 PolarHBondContact N-O 3.09Å
205C94Very high95.3Very high25 Ų2530.1 Ų30.117%0.16916%0.155CC..THydrogen-bonded Turntrans-65.2-24.2176.8-67.70000112.9P188 G207 L231 W232P188-C205 PolarHBondContact O-N 2.81Å; C205-G207 PolarHBondContact O-N 3.15Å; C205-L231 HydrophobicContact CB-CD2 4.01Å; C205-L231 CarbonylContact O-C 3.6Å; C205-L231 VanDerWaalsContact O-CA 3.31Å; C205-L231 WeakPolarHBondContact O-CA 3.35Å; C205-W232 PolarHBondContact O-N 2.84Å
206D94.3Very high95.2Very high47 Ų4732 Ų3225%0.25117%0.167SC..THydrogen-bonded Turntrans-75.1-8.8175.274.8-22.6000113.4C204 T208 P225 W232C204-D206 WeakPolarHBondContact CB-OD1 3.49Å; C204-D206 PolarHBondContact O-N 3.4Å; D206-T208 WeakPolarHBondContact OD1-CB 3.06Å; D206-T208 PolarHBondContact OD1-N 2.93Å; D206-T208 PolarHBondContact OD1-OG1 3.5Å; D206-T208 PolarHBondContact OD2-OG1 3.21Å; D206-P225 VanDerWaalsContact O-CB 3.25Å; D206-P225 WeakPolarHBondContact O-CB 3.48Å; D206-W232 PolarHBondContact O-NE1 3.38Å
207G94.8Very high95Very high0 Ų035.7 Ų35.70%019%0.192CC..SBendtrans94.9-1.1-17800000114.9C204 C205 W232C204-G207 PolarHBondContact O-N 3.16Å; C204-G207 VanDerWaalsContact O-N 3.14Å; C205-G207 PolarHBondContact O-N 3.15Å; G207-W232 VanDerWaalsContact CA-CB 3.47Å; G207-W232 VanDerWaalsContact CA-CG 3.41Å
208T95.7Very high94.9Very high16 Ų1633.1 Ų33.110%0.09819%0.189CC..  trans-68.3138.2171.1-59.80000110.2C204 D206 Y210 S223C204-T208 PolarHBondContact N-O 3.09Å; D206-T208 WeakPolarHBondContact OD1-CB 3.06Å; D206-T208 PolarHBondContact OD1-N 2.93Å; D206-T208 PolarHBondContact OD1-OG1 3.5Å; D206-T208 PolarHBondContact OD2-OG1 3.21Å; T208-Y210 HydrophobicContact CG2-CD2 4.41Å; T208-Y210 HydrophobicContact CG2-CE1 4.21Å; T208-Y210 HydrophobicContact CG2-CE2 3.74Å; T208-S223 WeakPolarHBondContact CA-O 3.27Å
209V96.6Very high94.7Very high1 Ų136.9 Ų36.91%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-128.1131.3177.6176.50000110.1L201 A222 S223 T234 R246 L261L201-V209 HydrophobicContact CD1-CG1 4.46Å; L201-V209 HydrophobicContact CD2-CG1 3.73Å; L201-V209 HydrophobicContact CG-CG1 4.5Å; V209-A222 CarbonylContact O-C 3.46Å; V209-A222 WeakPolarHBondContact O-CA 3.21Å; V209-S223 PolarHBondContact N-O 3.12Å; V209-S223 PolarHBondContact O-N 2.96Å; V209-T234 HydrophobicContact CG2-CG2 4.23Å; V209-R246 HydrophobicContact CG2-CG 4.41Å; V209-L261 HydrophobicContact CG1-CD1 4.36Å
210Y96.9Very high94.7Very high24 Ų2437.2 Ų37.29%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-109.9128.2174.7-57.9-81.2000110.4V183 S185 L201 A202 T208 P220 Q221 A222V183-Y210 HydrophobicContact CB-CE1 4.43Å; V183-Y210 HydrophobicContact CG1-CD1 3.89Å; V183-Y210 HydrophobicContact CG1-CE1 3.77Å; V183-Y210 HydrophobicContact CG1-CG 4.48Å; S185-Y210 WeakPolarHBondContact CB-OH 3.45Å; L201-Y210 CarbonylContact C-O 3.59Å; L201-Y210 VanDerWaalsContact CA-O 3.29Å; L201-Y210 WeakPolarHBondContact CA-O 3.49Å; A202-Y210 PolarHBondContact N-O 3.17Å; A202-Y210 PolarHBondContact O-N 2.83Å; T208-Y210 HydrophobicContact CG2-CD2 4.41Å; T208-Y210 HydrophobicContact CG2-CE1 4.21Å; T208-Y210 HydrophobicContact CG2-CE2 3.74Å; Y210-P220 HydrophobicContact CD1-CB 4.45Å; Y210-P220 HydrophobicContact CD1-CG 4.14Å; Y210-Q221 WeakPolarHBondContact CA-O 3.36Å; Y210-A222 HydrophobicContact CD1-CB 3.84Å; Y210-A222 HydrophobicContact CE1-CB 3.83Å
211L96.4Very high94.6Very high33 Ų3341.5 Ų41.517%0.17324%0.235CC..EExtended strand (participates in β ladder)trans-106.2120.9169.7176.365.3000109.3V195 A199 L201 P220 Q221 L261V195-L211 HydrophobicContact CG2-CD1 3.92Å; A199-L211 HydrophobicContact CB-CD1 4.37Å; L201-L211 HydrophobicContact CD2-CB 3.78Å; L201-L211 HydrophobicContact CD2-CD1 3.73Å; L201-L211 HydrophobicContact CD2-CG 4.32Å; L201-L211 HydrophobicContact CG-CD1 4.45Å; L211-P220 CarbonylContact O-C 3.53Å; L211-P220 WeakPolarHBondContact O-CA 3.14Å; L211-Q221 HydrophobicContact CB-CB 4.34Å; L211-Q221 PolarHBondContact N-O 2.98Å; L211-Q221 PolarHBondContact O-N 2.82Å; L211-L261 HydrophobicContact CB-CD1 3.92Å; L211-L261 HydrophobicContact CD2-CD1 4.46Å
212A96.4Very high94.5Very high3 Ų344.3 Ų44.33%0.02526%0.259CS..EExtended strand (participates in β ladder)trans-124.7144.6-176.700000111.5L181 A199 F200 P220L181-A212 HydrophobicContact CD1-CB 3.73Å; A199-A212 WeakPolarHBondContact CA-O 3.43Å; A199-A212 WeakPolarHBondContact CB-O 3.2Å; F200-A212 HydrophobicContact CD1-CB 4.21Å; F200-A212 HydrophobicContact CE1-CB 3.63Å; F200-A212 HydrophobicContact CE2-CB 4.01Å; F200-A212 HydrophobicContact CZ-CB 3.52Å; F200-A212 PolarHBondContact N-O 3.17Å; F200-A212 PolarHBondContact O-N 3.31Å; F200-A212 VanDerWaalsContact O-N 3.07Å; A212-P220 HydrophobicContact CB-CB 4.22Å
213D95.6Very high94.4Very high40 Ų4044.5 Ų44.521%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-108116.5170.6-171.8-40000109.7T198 R215 T216T198-D213 CarbonylContact O-C 3.44Å; T198-D213 VanDerWaalsContact O-CA 3.27Å; T198-D213 WeakPolarHBondContact O-CA 3.29Å; D213-R215 PolarHBondContact O-N 2.88Å; D213-R215 VanDerWaalsContact O-N 3.12Å; D213-R215 VanDerWaalsContact OD1-CB 3.25Å; D213-R215 WeakPolarHBondContact OD1-CB 3.34Å; D213-R215 WeakPolarHBondContact OD1-CG 3.43Å; D213-R215 IonicContact OD1-CZ 2.69Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 2.7Å; D213-R215 PolarHBondContact OD1-NE 3.08Å; D213-R215 IonicContact OD1-NH2 3.44Å; D213-R215 IonicContact OD2-CZ 3.31Å; D213-R215 IonicContact OD2-NE 3.88Å; D213-R215 PolarHBondContact OD2-NE 2.98Å; D213-R215 IonicContact OD2-NH2 3.73Å; D213-R215 PolarHBondContact OD2-NH2 2.9Å; D213-T216 HydrophobicContact CB-CG2 4.36Å; D213-T216 PolarHBondContact O-N 2.87Å; D213-T216 VanDerWaalsContact O-N 3.13Å; D213-T216 PolarHBondContact O-OG1 3.34Å
214T95.6Very high94.3Very high29 Ų2948.9 Ų48.918%0.17829%0.289CS..THydrogen-bonded Turntrans-67-13.1-174.462.10000113.7L169 Y179 T198 F200 T216L169-T214 HydrophobicContact CD2-CG2 4.26Å; Y179-T214 HydrophobicContact CG-CG2 4.38Å; T198-T214 PolarHBondContact O-N 3.02Å; T198-T214 PolarHBondContact O-OG1 2.67Å; F200-T214 HydrophobicContact CD1-CG2 3.74Å; F200-T214 HydrophobicContact CE1-CG2 3.83Å; T214-T216 VanDerWaalsContact C-N 3.35Å
215R93.8Very high94.2Very high178 Ų17851.3 Ų51.367%0.67231%0.305SS*.THydrogen-bonded Turntrans-83.8-15.1177.8-59.1173-69.1178.93.6112.7T198 D213T198-R215 HydrophobicContact CG2-CG 3.93Å; T198-R215 PolarHBondContact OG1-NE 2.64Å; D213-R215 PolarHBondContact O-N 2.88Å; D213-R215 VanDerWaalsContact O-N 3.12Å; D213-R215 VanDerWaalsContact OD1-CB 3.25Å; D213-R215 WeakPolarHBondContact OD1-CB 3.34Å; D213-R215 WeakPolarHBondContact OD1-CG 3.43Å; D213-R215 IonicContact OD1-CZ 2.69Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 2.7Å; D213-R215 PolarHBondContact OD1-NE 3.08Å; D213-R215 IonicContact OD1-NH2 3.44Å; D213-R215 IonicContact OD2-CZ 3.31Å; D213-R215 IonicContact OD2-NE 3.88Å; D213-R215 PolarHBondContact OD2-NE 2.98Å; D213-R215 IonicContact OD2-NH2 3.73Å; D213-R215 PolarHBondContact OD2-NH2 2.9Å
216T91.9Very high94Very high59 Ų5951.4 Ų51.436%0.36231%0.305SS..  trans-120.4149.2-17179.50000110.3D213 T214 A218D213-T216 HydrophobicContact CB-CG2 4.36Å; D213-T216 PolarHBondContact O-N 2.87Å; D213-T216 VanDerWaalsContact O-N 3.13Å; D213-T216 PolarHBondContact O-OG1 3.34Å; T214-T216 VanDerWaalsContact C-N 3.35Å; T216-A218 PolarHBondContact OG1-N 2.86Å
217S88.1Confident93.7Very high131 Ų13150.5 Ų50.592%0.91631%0.307SS*.  trans-9115.5168.7-510000112.1
218A90.1Very high93.3Very high55 Ų5560.4 Ų60.446%0.45535%0.353SS..SBendtrans-67.4148.817800000110T216T216-A218 PolarHBondContact OG1-N 2.86Å
219P91Very high92.8Very high115 Ų11561.2 Ų61.275%0.74736%0.359SS*.PPolyproline II helixtrans-59.8143.4174.326.4-34.1000110
220P94.2Very high92.2Very high21 Ų2165.2 Ų65.214%0.13639%0.392CS..PPolyproline II helixtrans-64.3149178.728.4-35.2000111L181 V183 Y210 L211 A212 A222L181-P220 HydrophobicContact CD1-CB 3.72Å; L181-P220 HydrophobicContact CD1-CG 3.71Å; V183-P220 HydrophobicContact CG1-CG 3.51Å; Y210-P220 HydrophobicContact CD1-CB 4.45Å; Y210-P220 HydrophobicContact CD1-CG 4.14Å; L211-P220 CarbonylContact O-C 3.53Å; L211-P220 WeakPolarHBondContact O-CA 3.14Å; A212-P220 HydrophobicContact CB-CB 4.22Å; P220-A222 PolarHBondContact O-N 2.8Å
221Q94.4Very high92Very high90 Ų9066.4 Ų66.442%0.42140%0.4SS..EExtended strand (participates in β ladder)trans-74.3113.4169.6177.6180-17.300108.7Y210 L211Y210-Q221 WeakPolarHBondContact CA-O 3.36Å; L211-Q221 HydrophobicContact CB-CB 4.34Å; L211-Q221 PolarHBondContact N-O 2.98Å; L211-Q221 PolarHBondContact O-N 2.82Å
222A94.6Very high92Very high62 Ų6264.9 Ų64.951%0.51239%0.392SS..EExtended strand (participates in β ladder)trans-92.4140.817600000111.3V209 Y210 P220V209-A222 CarbonylContact O-C 3.46Å; V209-A222 WeakPolarHBondContact O-CA 3.21Å; Y210-A222 HydrophobicContact CD1-CB 3.84Å; Y210-A222 HydrophobicContact CE1-CB 3.83Å; P220-A222 PolarHBondContact O-N 2.8Å
223S95.4Very high91.9Very high4 Ų465.8 Ų65.83%0.02840%0.395CS..EExtended strand (participates in β ladder)trans-120.3125.7166.61720000109T208 V209 R246 L261T208-S223 WeakPolarHBondContact CA-O 3.27Å; V209-S223 PolarHBondContact N-O 3.12Å; V209-S223 PolarHBondContact O-N 2.96Å; S223-R246 PolarHBondContact OG-NH1 3.42Å; S223-R246 VanDerWaalsContact OG-NH1 3.16Å; S223-L261 PolarHBondContact OG-O 3.45Å
224P94.5Very high92Very high93 Ų9364.2 Ų64.260%0.60439%0.387SS*.  trans-68.3166.6177.331.4-35.9000111.5R246P224-R246 PolarHBondContact O-NH1 3.18Å
225P93.4Very high92Very high52 Ų5263.5 Ų63.534%0.33838%0.382SS..  trans-59.4143.2174.522.7-33000112.4D206 G227D206-P225 VanDerWaalsContact O-CB 3.25Å; D206-P225 WeakPolarHBondContact O-CB 3.48Å; P225-G227 PolarHBondContact O-N 3.18Å
226P90.4Very high92.1Very high27 Ų2755 Ų5518%0.17535%0.35CS..SBendtrans-68.6-13.1-179-19.831.3000115.9W232 R246 V254P226-W232 HydrophobicContact CB-CH2 3.8Å; P226-W232 HydrophobicContact CB-CZ2 4.44Å; P226-W232 HydrophobicContact CB-CZ3 4.27Å; P226-W232 HydrophobicContact CG-CE3 4.45Å; P226-W232 HydrophobicContact CG-CH2 3.77Å; P226-W232 HydrophobicContact CG-CZ2 4.41Å; P226-W232 HydrophobicContact CG-CZ3 3.79Å; P226-R246 HydrophobicContact CG-CB 4.23Å; P226-V254 HydrophobicContact CB-CB 4.11Å; P226-V254 HydrophobicContact CB-CG1 4.16Å; P226-V254 HydrophobicContact CB-CG2 3.7Å; P226-V254 HydrophobicContact CG-CB 4.08Å; P226-V254 HydrophobicContact CG-CG1 4.27Å; P226-V254 HydrophobicContact CG-CG2 4.13Å
227G88.2Confident92Very high28 Ų2852.7 Ų52.729%0.28934%0.336SS..SBendtrans-177.1173.6-175.300000111.3P225 C229P225-G227 PolarHBondContact O-N 3.18Å; G227-C229 PolarHBondContact O-N 2.73Å
228E86.3Confident91.7Very high207 Ų20748.7 Ų48.797%0.96731%0.311SS*.  trans-80107.2178-65-175.7178.700110.1
229C86.1Confident91.1Very high33 Ų3349.9 Ų49.922%0.22332%0.321CS..  trans-148.5153.4171.7-155.20000109.8G227 W232 S249G227-C229 PolarHBondContact O-N 2.73Å; C229-W232 HydrophobicContact CB-CZ2 4.02Å; C229-S249 PolarHBondContact SG-OG 3.11Å
230A83.8Confident90.6Very high86 Ų8650.7 Ų50.771%0.71133%0.326SS*.SBendtrans-71.7-34.1-176.500000112.9
231L92.5Very high90Very high48 Ų4851 Ų5125%0.25133%0.326SS..  trans-141142.6-175.4-69.7173.4000111.6C205 W233 S248 S249 P279C205-L231 HydrophobicContact CB-CD2 4.01Å; C205-L231 CarbonylContact O-C 3.6Å; C205-L231 VanDerWaalsContact O-CA 3.31Å; C205-L231 WeakPolarHBondContact O-CA 3.35Å; L231-W233 HydrophobicContact CB-CH2 4.41Å; L231-W233 HydrophobicContact CB-CZ2 4.41Å; L231-S248 CarbonylContact O-C 3.44Å; L231-S248 WeakPolarHBondContact O-CA 3.34Å; L231-S249 PolarHBondContact O-N 2.85Å; L231-P279 HydrophobicContact CD1-CB 4.14Å; L231-P279 HydrophobicContact CD1-CG 3.79Å
232W95.1Very high89.8Confident2 Ų247.9 Ų47.91%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-135.3138.7176.7-67.484.3000111.7S190 C205 D206 G207 P226 C229 R246 L247S190-W232 VanDerWaalsContact CB-O 3.27Å; S190-W232 WeakPolarHBondContact CB-O 3.36Å; S190-W232 PolarHBondContact OG-O 2.9Å; C205-W232 PolarHBondContact O-N 2.84Å; D206-W232 PolarHBondContact O-NE1 3.38Å; G207-W232 VanDerWaalsContact CA-CB 3.47Å; G207-W232 VanDerWaalsContact CA-CG 3.41Å; P226-W232 HydrophobicContact CB-CH2 3.8Å; P226-W232 HydrophobicContact CB-CZ2 4.44Å; P226-W232 HydrophobicContact CB-CZ3 4.27Å; P226-W232 HydrophobicContact CG-CE3 4.45Å; P226-W232 HydrophobicContact CG-CH2 3.77Å; P226-W232 HydrophobicContact CG-CZ2 4.41Å; P226-W232 HydrophobicContact CG-CZ3 3.79Å; C229-W232 HydrophobicContact CB-CZ2 4.02Å; W232-R246 HydrophobicContact CE3-CB 3.86Å; W232-R246 HydrophobicContact CZ3-CB 4.04Å; W232-L247 CarbonylContact C-O 3.57Å; W232-L247 VanDerWaalsContact CA-O 3.29Å; W232-L247 WeakPolarHBondContact CA-O 3.39Å
233W96Very high89.7Confident21 Ų2147.4 Ų47.48%0.0830%0.298CS..EExtended strand (participates in β ladder)trans-112.3144.9169.4-55.7-87.7000109.7L231 R246 L247 P276 P279 V282 V284 L299L231-W233 HydrophobicContact CB-CH2 4.41Å; L231-W233 HydrophobicContact CB-CZ2 4.41Å; W233-R246 CarbonylContact O-C 3.57Å; W233-R246 WeakPolarHBondContact O-CA 3.38Å; W233-L247 HydrophobicContact CE3-CG 4.36Å; W233-L247 PolarHBondContact N-O 2.97Å; W233-L247 PolarHBondContact O-N 2.96Å; W233-P276 HydrophobicContact CH2-CG 4Å; W233-P276 HydrophobicContact CZ2-CG 4.18Å; W233-P279 PolarHBondContact NE1-O 3.21Å; W233-V282 HydrophobicContact CD2-CB 3.86Å; W233-V282 HydrophobicContact CD2-CG1 3.52Å; W233-V282 VanDerWaalsContact CE2-CB 3.47Å; W233-V282 HydrophobicContact CE3-CB 4.4Å; W233-V282 HydrophobicContact CE3-CG1 3.72Å; W233-V282 HydrophobicContact CG-CB 4.25Å; W233-V282 HydrophobicContact CG-CG1 3.9Å; W233-V282 HydrophobicContact CH2-CB 4.28Å; W233-V282 HydrophobicContact CH2-CG1 4.27Å; W233-V282 HydrophobicContact CH2-CG2 3.87Å; W233-V282 HydrophobicContact CZ2-CB 3.73Å; W233-V282 HydrophobicContact CZ2-CG1 4.1Å; W233-V282 HydrophobicContact CZ2-CG2 3.54Å; W233-V282 HydrophobicContact CZ3-CG1 4.07Å; W233-V282 HydrophobicContact CZ3-CG2 4.45Å; W233-V284 HydrophobicContact CB-CG2 3.89Å; W233-L299 HydrophobicContact CH2-CD2 4.35Å
234T96.4Very high89.8Confident8 Ų847.2 Ų47.25%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-134.4138.7-175.2-560000110.6S191 S203 V209 V244 I245 R246S191-T234 WeakPolarHBondContact CB-O 3.44Å; S191-T234 PolarHBondContact OG-O 3.06Å; S203-T234 WeakPolarHBondContact OG-CB 3.47Å; S203-T234 VanDerWaalsContact OG-CG2 3.32Å; S203-T234 WeakPolarHBondContact OG-CG2 3.43Å; V209-T234 HydrophobicContact CG2-CG2 4.23Å; T234-V244 HydrophobicContact CG2-CG1 3.56Å; T234-I245 VanDerWaalsContact CA-O 3.26Å; T234-I245 WeakPolarHBondContact CA-O 3.36Å; T234-I245 WeakPolarHBondContact CG2-O 3.28Å; T234-R246 HydrophobicContact CG2-CG 4.12Å
235D96.6Very high89.9Confident13 Ų1342.8 Ų42.87%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-135.4158.4161.4-167.633.9000111.2K193 V244 I245 V284 A285 W286K193-D235 WeakPolarHBondContact CD-OD1 3.41Å; K193-D235 WeakPolarHBondContact CE-OD1 3.47Å; K193-D235 VanDerWaalsContact NZ-CG 3.3Å; K193-D235 IonicContact NZ-OD1 2.66Å; K193-D235 PolarHBondContact NZ-OD1 3.09Å; K193-D235 IonicContact NZ-OD2 3.14Å; K193-D235 PolarHBondContact NZ-OD2 3.49Å; K193-D235 VanDerWaalsContact NZ-OD2 3.14Å; D235-V244 CarbonylContact O-C 3.55Å; D235-V244 WeakPolarHBondContact O-CA 3.4Å; D235-I245 HydrophobicContact CB-CG2 4Å; D235-I245 PolarHBondContact N-O 2.8Å; D235-I245 VanDerWaalsContact N-O 3.09Å; D235-I245 WeakPolarHBondContact O-CG2 3.29Å; D235-I245 PolarHBondContact O-N 3.15Å; D235-V284 WeakPolarHBondContact CB-O 3.06Å; D235-A285 WeakPolarHBondContact OD2-CA 3.45Å; D235-W286 PolarHBondContact O-NE1 2.83Å; D235-W286 PolarHBondContact OD2-N 2.93Å
236A94.8Very high90Very high1 Ų140.8 Ų40.81%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-132.7141.1178.200000112.5K193 V195 L201 R243 V244 L258 W286K193-A236 VanDerWaalsContact CE-O 3.24Å; K193-A236 WeakPolarHBondContact CE-O 3.18Å; K193-A236 PolarHBondContact NZ-O 2.85Å; V195-A236 HydrophobicContact CG1-CB 3.96Å; L201-A236 HydrophobicContact CD1-CB 3.41Å; L201-A236 VanDerWaalsContact CD1-CB 3.41Å; A236-R243 CarbonylContact C-O 3.54Å; A236-R243 VanDerWaalsContact CA-O 3.22Å; A236-R243 WeakPolarHBondContact CA-O 3.39Å; A236-V244 HydrophobicContact CB-CG2 4.06Å; A236-L258 HydrophobicContact CB-CD2 4.35Å; A236-W286 VanDerWaalsContact C-CD1 3.49Å
237S90.3Very high90.3Very high10 Ų1039.5 Ų39.57%0.0725%0.245CC..  trans-96.3129167.157.60000109.4Q241 C242 R243 L258S237-Q241 WeakPolarHBondContact OG-CB 3.22Å; S237-C242 VanDerWaalsContact O-CA 3.3Å; S237-C242 WeakPolarHBondContact O-CA 3.26Å; S237-C242 PolarHBondContact O-N 2.62Å; S237-R243 PolarHBondContact N-O 3.32Å; S237-R243 PolarHBondContact O-N 3.4Å; S237-R243 WeakPolarHBondContact OG-CB 3.46Å; S237-R243 PolarHBondContact OG-N 2.8Å; S237-R243 VanDerWaalsContact OG-N 3.11Å; S237-R243 PolarHBondContact OG-O 3.2Å; S237-L258 WeakPolarHBondContact O-CD1 3.27Å
238A82.3Confident90.6Very high46 Ų4638.1 Ų38.138%0.3823%0.232SC..  trans-69.1-176.6172.600000110.8V195 Q241 C242V195-A238 WeakPolarHBondContact O-CB 3.34Å; A238-Q241 PolarHBondContact O-N 3.02Å; A238-Q241 VanDerWaalsContact O-N 3.13Å; A238-C242 PolarHBondContact O-N 2.75Å; A238-C242 VanDerWaalsContact O-N 3.07Å
239A76.9Confident90.9Very high81 Ų8129.3 Ų29.367%0.66919%0.193SC*.THydrogen-bonded Turntrans-55.1141171.800000110.8
240P79.6Confident91.2Very high132 Ų13230.8 Ų30.886%0.85720%0.204SC*.THydrogen-bonded Turncis-88.2-12.39.734.6-35.9000115.2
241Q81.9Confident91.6Very high27 Ų2726.7 Ų26.713%0.12617%0.17CC..THydrogen-bonded Turntrans-69.8-40.7-172.9-63.1-170.237.600112.1S237 A238 R243 A287 D291S237-Q241 WeakPolarHBondContact OG-CB 3.22Å; A238-Q241 PolarHBondContact O-N 3.02Å; A238-Q241 VanDerWaalsContact O-N 3.13Å; Q241-R243 VanDerWaalsContact C-N 3.27Å; Q241-R243 HydrophobicContact CB-CG 4.39Å; Q241-R243 VanDerWaalsContact O-CG 3.27Å; Q241-R243 WeakPolarHBondContact O-CG 3.32Å; Q241-R243 PolarHBondContact O-N 3.28Å; Q241-A287 PolarHBondContact NE2-O 2.72Å; Q241-D291 WeakPolarHBondContact CG-OD1 3.44Å
242C89.9Confident91.7Very high24 Ų2426.4 Ų26.416%0.16217%0.167CC..  trans51.839178.1-70.50000114.3S237 A238 L258S237-C242 VanDerWaalsContact O-CA 3.3Å; S237-C242 WeakPolarHBondContact O-CA 3.26Å; S237-C242 PolarHBondContact O-N 2.62Å; A238-C242 PolarHBondContact O-N 2.75Å; A238-C242 VanDerWaalsContact O-N 3.07Å; C242-L258 HydrophobicContact CB-CB 4.32Å; C242-L258 HydrophobicContact CB-CD1 4.37Å; C242-L258 PolarHBondContact O-N 3.5Å
243R94.3Very high91.7Very high53 Ų5326.3 Ų26.320%0.217%0.167CC..EExtended strand (participates in β ladder)trans-107.1152.4-177.4-54.1-172-170.5179.110.8111.5A236 S237 Q241 V255 S256 W286 D291 S308A236-R243 CarbonylContact C-O 3.54Å; A236-R243 VanDerWaalsContact CA-O 3.22Å; A236-R243 WeakPolarHBondContact CA-O 3.39Å; S237-R243 PolarHBondContact N-O 3.32Å; S237-R243 PolarHBondContact O-N 3.4Å; S237-R243 WeakPolarHBondContact OG-CB 3.46Å; S237-R243 PolarHBondContact OG-N 2.8Å; S237-R243 VanDerWaalsContact OG-N 3.11Å; S237-R243 PolarHBondContact OG-O 3.2Å; Q241-R243 VanDerWaalsContact C-N 3.27Å; Q241-R243 HydrophobicContact CB-CG 4.39Å; Q241-R243 VanDerWaalsContact O-CG 3.27Å; Q241-R243 WeakPolarHBondContact O-CG 3.32Å; Q241-R243 PolarHBondContact O-N 3.28Å; R243-V255 HydrophobicContact CB-CG1 4.21Å; R243-S256 CarbonylContact C-O 3.59Å; R243-S256 WeakPolarHBondContact CA-O 3.32Å; R243-W286 HydrophobicContact CB-CH2 4.22Å; R243-W286 HydrophobicContact CB-CZ2 3.7Å; R243-D291 IonicContact CZ-OD1 3.76Å; R243-D291 IonicContact NH2-OD1 3.21Å; R243-D291 PolarHBondContact NH2-OD1 2.79Å; R243-D291 IonicContact NH2-OD2 3.5Å; R243-S308 PolarHBondContact NH1-OG 3.24Å; R243-S308 VanDerWaalsContact NH1-OG 3.12Å
244V96.1Very high91.7Very high0 Ų025.4 Ų25.40%016%0.163CC..EExtended strand (participates in β ladder)trans-123.3126.4168.8-177.30000107.8L201 T234 D235 A236 R246 V255 S256 L258 L261L201-V244 HydrophobicContact CD1-CG2 3.94Å; T234-V244 HydrophobicContact CG2-CG1 3.56Å; D235-V244 CarbonylContact O-C 3.55Å; D235-V244 WeakPolarHBondContact O-CA 3.4Å; A236-V244 HydrophobicContact CB-CG2 4.06Å; V244-R246 HydrophobicContact CG1-CG 4.4Å; V244-V255 CarbonylContact O-C 3.6Å; V244-V255 VanDerWaalsContact O-CA 3.28Å; V244-V255 WeakPolarHBondContact O-CA 3.36Å; V244-S256 PolarHBondContact N-O 3.38Å; V244-S256 PolarHBondContact O-N 3.34Å; V244-L258 HydrophobicContact CG2-CD2 3.26Å; V244-L258 HydrophobicContact CG2-CG 3.77Å; V244-L261 HydrophobicContact CB-CD2 4.3Å; V244-L261 HydrophobicContact CG2-CD2 3.64Å
245I96.8Very high91.7Very high0 Ų025 Ų250%016%0.161CC..EExtended strand (participates in β ladder)trans-101.4130.1169.6179.463.9000108.1T234 D235 A253 V255 V284 W286 F294T234-I245 VanDerWaalsContact CA-O 3.26Å; T234-I245 WeakPolarHBondContact CA-O 3.36Å; T234-I245 WeakPolarHBondContact CG2-O 3.28Å; D235-I245 HydrophobicContact CB-CG2 4Å; D235-I245 PolarHBondContact N-O 2.8Å; D235-I245 VanDerWaalsContact N-O 3.09Å; D235-I245 WeakPolarHBondContact O-CG2 3.29Å; D235-I245 PolarHBondContact O-N 3.15Å; I245-A253 HydrophobicContact CD1-CB 3.95Å; I245-V255 HydrophobicContact CD1-CG2 3.67Å; I245-V284 HydrophobicContact CG1-CG1 4.14Å; I245-V284 HydrophobicContact CG2-CG1 3.54Å; I245-W286 HydrophobicContact CB-CZ2 3.69Å; I245-W286 HydrophobicContact CG2-CZ2 4.2Å; I245-W286 VanDerWaalsContact CG2-NE1 3.31Å; I245-F294 HydrophobicContact CD1-CZ 4.36Å; I245-F294 HydrophobicContact CG1-CD2 4.41Å; I245-F294 HydrophobicContact CG1-CE2 4.31Å
246R96.6Very high91.7Very high9 Ų924.4 Ų24.43%0.03416%0.158CC..EExtended strand (participates in β ladder)trans-116118168.5-74.6176.1-79.2-177.6-8.3108.1V209 S223 P224 P226 W232 W233 T234 V244 A253 V254 S256 L261V209-R246 HydrophobicContact CG2-CG 4.41Å; S223-R246 PolarHBondContact OG-NH1 3.42Å; S223-R246 VanDerWaalsContact OG-NH1 3.16Å; P224-R246 PolarHBondContact O-NH1 3.18Å; P226-R246 HydrophobicContact CG-CB 4.23Å; W232-R246 HydrophobicContact CE3-CB 3.86Å; W232-R246 HydrophobicContact CZ3-CB 4.04Å; W233-R246 CarbonylContact O-C 3.57Å; W233-R246 WeakPolarHBondContact O-CA 3.38Å; T234-R246 HydrophobicContact CG2-CG 4.12Å; V244-R246 HydrophobicContact CG1-CG 4.4Å; R246-A253 WeakPolarHBondContact O-CA 3.29Å; R246-V254 PolarHBondContact N-O 3.45Å; R246-V254 PolarHBondContact O-N 3.19Å; R246-S256 PolarHBondContact NH2-OG 3.49Å; R246-L261 PolarHBondContact NH2-O 2.97Å; R246-L261 VanDerWaalsContact NH2-O 3.11Å
247L96.5Very high91.6Very high0 Ų025.4 Ų25.40%016%0.163CC..EExtended strand (participates in β ladder)trans-109.9125.9178.2179.164000109.4W232 W233 Q252 A253 L270 V284 V296 L299W232-L247 CarbonylContact C-O 3.57Å; W232-L247 VanDerWaalsContact CA-O 3.29Å; W232-L247 WeakPolarHBondContact CA-O 3.39Å; W233-L247 HydrophobicContact CE3-CG 4.36Å; W233-L247 PolarHBondContact N-O 2.97Å; W233-L247 PolarHBondContact O-N 2.96Å; L247-Q252 CarbonylContact C-O 3.59Å; L247-Q252 WeakPolarHBondContact CA-O 3.47Å; L247-A253 HydrophobicContact CD1-CB 4.26Å; L247-L270 HydrophobicContact CD1-CD1 3.67Å; L247-L270 HydrophobicContact CD1-CG 4.22Å; L247-V284 HydrophobicContact CB-CG2 3.91Å; L247-V284 HydrophobicContact CD2-CG2 3.5Å; L247-V284 VanDerWaalsContact CD2-CG2 3.5Å; L247-V284 HydrophobicContact CG-CG2 4.34Å; L247-V296 HydrophobicContact CD2-CB 4.47Å; L247-V296 HydrophobicContact CD2-CG1 3.58Å; L247-V296 HydrophobicContact CD2-CG2 3.97Å; L247-L299 HydrophobicContact CD2-CD1 3.9Å
248S94.8Very high91.6Very high0 Ų025.6 Ų25.60%016%0.163CC..EExtended strand (participates in β ladder)trans-88161175.4820000112.3L231 S250 G251 Q252L231-S248 CarbonylContact O-C 3.44Å; L231-S248 WeakPolarHBondContact O-CA 3.34Å; S248-S250 PolarHBondContact O-N 2.89Å; S248-S250 VanDerWaalsContact O-N 3.15Å; S248-S250 PolarHBondContact OG-N 3.46Å; S248-S250 PolarHBondContact OG-OG 2.98Å; S248-G251 PolarHBondContact O-N 3.24Å; S248-G251 PolarHBondContact OG-N 2.89Å; S248-Q252 PolarHBondContact N-O 3.3Å; S248-Q252 VanDerWaalsContact OG-CB 3.3Å; S248-Q252 WeakPolarHBondContact OG-CB 3.5Å; S248-Q252 PolarHBondContact OG-N 2.97Å
249S92.7Very high91.9Very high21 Ų2132.2 Ų32.215%0.14718%0.178CC..THydrogen-bonded Turntrans-64-12.6170.757.70000114.6C229 L231C229-S249 PolarHBondContact SG-OG 3.11Å; L231-S249 PolarHBondContact O-N 2.85Å
250S90.8Very high92.4Very high65 Ų6532.9 Ų32.946%0.45517%0.171SC..THydrogen-bonded Turntrans-92.25.517266.40000113.3S248 Q269S248-S250 PolarHBondContact O-N 2.89Å; S248-S250 VanDerWaalsContact O-N 3.15Å; S248-S250 PolarHBondContact OG-N 3.46Å; S248-S250 PolarHBondContact OG-OG 2.98Å; S250-Q269 PolarHBondContact O-NE2 3.15Å
251G92.3Very high92.7Very high0 Ų026.6 Ų26.60%013%0.13CC..SBendtrans82.88-178.800000114.9S248 A253 Q269 L270S248-G251 PolarHBondContact O-N 3.24Å; S248-G251 PolarHBondContact OG-N 2.89Å; G251-A253 PolarHBondContact O-N 3.41Å; G251-Q269 PolarHBondContact O-NE2 2.81Å; G251-L270 PolarHBondContact O-N 2.96Å
252Q94.6Very high92.6Very high42 Ų4228.6 Ų28.620%0.19616%0.157CC..EExtended strand (participates in β ladder)trans-74.6116.3175.5-171.1-178.237.400109.6L247 S248 V254L247-Q252 CarbonylContact C-O 3.59Å; L247-Q252 WeakPolarHBondContact CA-O 3.47Å; S248-Q252 PolarHBondContact N-O 3.3Å; S248-Q252 VanDerWaalsContact OG-CB 3.3Å; S248-Q252 WeakPolarHBondContact OG-CB 3.5Å; S248-Q252 PolarHBondContact OG-N 2.97Å; Q252-V254 HydrophobicContact CG-CG2 4.13Å
253A96Very high92.4Very high0 Ų028.7 Ų28.70%016%0.162CC..EExtended strand (participates in β ladder)trans-101.3125.3174.600000109.9I245 R246 L247 G251 R267 A268 L270 W311I245-A253 HydrophobicContact CD1-CB 3.95Å; R246-A253 WeakPolarHBondContact O-CA 3.29Å; L247-A253 HydrophobicContact CD1-CB 4.26Å; G251-A253 PolarHBondContact O-N 3.41Å; A253-R267 CarbonylContact O-C 3.55Å; A253-R267 VanDerWaalsContact O-CA 3.3Å; A253-R267 WeakPolarHBondContact O-CA 3.45Å; A253-A268 HydrophobicContact CB-CB 4.47Å; A253-A268 PolarHBondContact N-O 2.73Å; A253-A268 PolarHBondContact O-N 3.36Å; A253-L270 HydrophobicContact CB-CD1 4.38Å; A253-L270 HydrophobicContact CB-CD2 4.26Å; A253-L270 HydrophobicContact CB-CG 4.1Å; A253-W311 HydrophobicContact CB-CH2 4.08Å; A253-W311 HydrophobicContact CB-CZ3 3.95Å
254V96.3Very high92.2Very high1 Ų127.7 Ų27.71%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-126.1118.5176.3-176.50000109.7P226 R246 Q252 A264 R267P226-V254 HydrophobicContact CB-CB 4.11Å; P226-V254 HydrophobicContact CB-CG1 4.16Å; P226-V254 HydrophobicContact CB-CG2 3.7Å; P226-V254 HydrophobicContact CG-CB 4.08Å; P226-V254 HydrophobicContact CG-CG1 4.27Å; P226-V254 HydrophobicContact CG-CG2 4.13Å; R246-V254 PolarHBondContact N-O 3.45Å; R246-V254 PolarHBondContact O-N 3.19Å; Q252-V254 HydrophobicContact CG-CG2 4.13Å; V254-A264 HydrophobicContact CG1-CB 3.74Å; V254-R267 HydrophobicContact CG1-CG 4.32Å; V254-R267 HydrophobicContact CG2-CG 4.22Å
255V96.5Very high92Very high1 Ų131.9 Ų31.91%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-98.4129.9175.3-178.70000109.1R243 V244 I245 A264 L265 C266 W286 W311R243-V255 HydrophobicContact CB-CG1 4.21Å; V244-V255 CarbonylContact O-C 3.6Å; V244-V255 VanDerWaalsContact O-CA 3.28Å; V244-V255 WeakPolarHBondContact O-CA 3.36Å; I245-V255 HydrophobicContact CD1-CG2 3.67Å; V255-A264 CarbonylContact O-C 3.47Å; V255-L265 HydrophobicContact CG1-CD1 4.43Å; V255-L265 PolarHBondContact O-N 3.19Å; V255-C266 PolarHBondContact N-O 2.82Å; V255-C266 PolarHBondContact O-N 3.38Å; V255-W286 HydrophobicContact CG1-CH2 4.09Å; V255-W286 HydrophobicContact CG1-CZ2 3.98Å; V255-W286 HydrophobicContact CG2-CH2 4.08Å; V255-W286 HydrophobicContact CG2-CZ2 4.16Å; V255-W311 HydrophobicContact CG2-CE3 4.39Å; V255-W311 HydrophobicContact CG2-CZ3 4.23Å
256S95.1Very high92Very high0 Ų032.3 Ų32.30%019%0.19CC..EExtended strand (participates in β ladder)trans-128.6161.5175.643.20000111.2R243 V244 R246 G263R243-S256 CarbonylContact C-O 3.59Å; R243-S256 WeakPolarHBondContact CA-O 3.32Å; V244-S256 PolarHBondContact N-O 3.38Å; V244-S256 PolarHBondContact O-N 3.34Å; R246-S256 PolarHBondContact NH2-OG 3.49Å; S256-G263 WeakPolarHBondContact CB-O 3.37Å
257D92.8Very high91.9Very high22 Ų2234.7 Ų34.712%0.11820%0.2CC..EExtended strand (participates in β ladder)trans-84.8135.5174.1-165.7-68.3000110.1R259 N260 L261 L265D257-R259 PolarHBondContact O-N 2.81Å; D257-R259 VanDerWaalsContact O-N 3.15Å; D257-R259 WeakPolarHBondContact OD1-CA 3.3Å; D257-R259 WeakPolarHBondContact OD1-CB 3.33Å; D257-R259 WeakPolarHBondContact OD1-CG 3.38Å; D257-R259 IonicContact OD1-CZ 2.77Å; D257-R259 PolarHBondContact OD1-N 3Å; D257-R259 IonicContact OD1-NE 2.68Å; D257-R259 PolarHBondContact OD1-NE 3.09Å; D257-R259 IonicContact OD1-NH2 3.46Å; D257-R259 IonicContact OD2-CZ 2.93Å; D257-R259 IonicContact OD2-NE 3.66Å; D257-R259 PolarHBondContact OD2-NE 2.93Å; D257-R259 IonicContact OD2-NH2 2.69Å; D257-R259 PolarHBondContact OD2-NH2 2.62Å; D257-N260 CarbonylContact O-C 3.49Å; D257-N260 PolarHBondContact O-N 3.45Å; D257-L261 PolarHBondContact O-N 2.6Å; D257-L265 HydrophobicContact CB-CD1 4.03Å; D257-L265 HydrophobicContact CB-CD2 4.36Å; D257-L265 HydrophobicContact CB-CG 4.31Å
258L90.7Very high91.9Very high14 Ų1434.8 Ų34.87%0.07320%0.2CC..THydrogen-bonded Turntrans-55.4-31.6175.9-83176.7000112.9V195 L201 A236 S237 C242 V244 N260 L261V195-L258 HydrophobicContact CB-CD1 4.02Å; V195-L258 HydrophobicContact CG1-CD1 4.08Å; V195-L258 HydrophobicContact CG1-CD2 4.09Å; L201-L258 HydrophobicContact CD1-CD2 3.74Å; L201-L258 HydrophobicContact CD2-CD2 4.21Å; L201-L258 HydrophobicContact CG-CD2 4.2Å; A236-L258 HydrophobicContact CB-CD2 4.35Å; S237-L258 WeakPolarHBondContact O-CD1 3.27Å; C242-L258 HydrophobicContact CB-CB 4.32Å; C242-L258 HydrophobicContact CB-CD1 4.37Å; C242-L258 PolarHBondContact O-N 3.5Å; V244-L258 HydrophobicContact CG2-CD2 3.26Å; V244-L258 HydrophobicContact CG2-CG 3.77Å; L258-N260 VanDerWaalsContact C-N 3.3Å; L258-L261 HydrophobicContact CD2-CD2 4.47Å
259R88.2Confident92Very high184 Ų18438 Ų3869%0.69422%0.215SC*.THydrogen-bonded Turntrans-80.3-15.1179.9-54.9164.9-70.6-169.7-1.2111.9D257D257-R259 PolarHBondContact O-N 2.81Å; D257-R259 VanDerWaalsContact O-N 3.15Å; D257-R259 WeakPolarHBondContact OD1-CA 3.3Å; D257-R259 WeakPolarHBondContact OD1-CB 3.33Å; D257-R259 WeakPolarHBondContact OD1-CG 3.38Å; D257-R259 IonicContact OD1-CZ 2.77Å; D257-R259 PolarHBondContact OD1-N 3Å; D257-R259 IonicContact OD1-NE 2.68Å; D257-R259 PolarHBondContact OD1-NE 3.09Å; D257-R259 IonicContact OD1-NH2 3.46Å; D257-R259 IonicContact OD2-CZ 2.93Å; D257-R259 IonicContact OD2-NE 3.66Å; D257-R259 PolarHBondContact OD2-NE 2.93Å; D257-R259 IonicContact OD2-NH2 2.69Å; D257-R259 PolarHBondContact OD2-NH2 2.62Å
260N88.4Confident92Very high95 Ų9537.2 Ų37.251%0.50821%0.209SC..EExtended strand (participates in β ladder)trans-147.372.6178.5-175.715.1000111.3D257 L258 G262 G263D257-N260 CarbonylContact O-C 3.49Å; D257-N260 PolarHBondContact O-N 3.45Å; L258-N260 VanDerWaalsContact C-N 3.3Å; N260-G262 PolarHBondContact O-N 2.82Å; N260-G262 VanDerWaalsContact O-N 3.15Å; N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 VanDerWaalsContact O-N 3.16Å
261L86.3Confident91.9Very high1 Ų138.3 Ų38.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-63.2-21-177.7-63.9174.6000114.1L201 V209 L211 S223 V244 R246 D257 L258 G263L201-L261 HydrophobicContact CD2-CD1 4.43Å; V209-L261 HydrophobicContact CG1-CD1 4.36Å; L211-L261 HydrophobicContact CB-CD1 3.92Å; L211-L261 HydrophobicContact CD2-CD1 4.46Å; S223-L261 PolarHBondContact OG-O 3.45Å; V244-L261 HydrophobicContact CB-CD2 4.3Å; V244-L261 HydrophobicContact CG2-CD2 3.64Å; R246-L261 PolarHBondContact NH2-O 2.97Å; R246-L261 VanDerWaalsContact NH2-O 3.11Å; D257-L261 PolarHBondContact O-N 2.6Å; L258-L261 HydrophobicContact CD2-CD2 4.47Å; L261-G263 VanDerWaalsContact C-N 3.3Å; L261-G263 PolarHBondContact O-N 3Å
262G79.7Confident91.3Very high68 Ų6840.1 Ų40.170%0.70122%0.221SC*.EExtended strand (participates in β ladder)trans-74.9-16.2178.400000114.1N260N260-G262 PolarHBondContact O-N 2.82Å; N260-G262 VanDerWaalsContact O-N 3.15Å
263G85.1Confident90.2Very high26 Ų2644.9 Ų44.927%0.26824%0.243SC..EExtended strand (participates in β ladder)trans-106.1125179.700000112.5S256 N260 L261 L265S256-G263 WeakPolarHBondContact CB-O 3.37Å; N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 VanDerWaalsContact O-N 3.16Å; L261-G263 VanDerWaalsContact C-N 3.3Å; L261-G263 PolarHBondContact O-N 3Å; G263-L265 PolarHBondContact O-N 3.48Å
264A89.7Confident88.9Confident33 Ų3348.3 Ų48.327%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-73.6122.7166.600000109.3V254 V255 R267V254-A264 HydrophobicContact CG1-CB 3.74Å; V255-A264 CarbonylContact O-C 3.47Å; A264-R267 HydrophobicContact CB-CG 4.22Å
265L93Very high87.7Confident87 Ų8755.1 Ų55.146%0.45530%0.3SS..EExtended strand (participates in β ladder)trans-71.2-47.7168.7-67.5178.1000110V255 D257 G263V255-L265 HydrophobicContact CG1-CD1 4.43Å; V255-L265 PolarHBondContact O-N 3.19Å; D257-L265 HydrophobicContact CB-CD1 4.03Å; D257-L265 HydrophobicContact CB-CD2 4.36Å; D257-L265 HydrophobicContact CB-CG 4.31Å; G263-L265 PolarHBondContact O-N 3.48Å
266C95.1Very high86.7Confident9 Ų956.2 Ų56.26%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-154.8162.2176.760.90000112.4V255 W311 R312V255-C266 PolarHBondContact N-O 2.82Å; V255-C266 PolarHBondContact O-N 3.38Å; C266-W311 HydrophobicContact CB-CB 3.52Å; C266-R312 CarbonylContact C-O 3.5Å; C266-R312 WeakPolarHBondContact CA-O 3.29Å; C266-R312 VanDerWaalsContact CB-O 3.3Å; C266-R312 WeakPolarHBondContact CB-O 3.47Å
267R96.1Very high85.8Confident60 Ų6062.8 Ų62.823%0.22633%0.332CS..EExtended strand (participates in β ladder)trans-135.9146.6-177.9-61.1-176179.5-114.52110.5A253 V254 A264 R312 A313 P315A253-R267 CarbonylContact O-C 3.55Å; A253-R267 VanDerWaalsContact O-CA 3.3Å; A253-R267 WeakPolarHBondContact O-CA 3.45Å; V254-R267 HydrophobicContact CG1-CG 4.32Å; V254-R267 HydrophobicContact CG2-CG 4.22Å; A264-R267 HydrophobicContact CB-CG 4.22Å; R267-R312 PolarHBondContact N-O 3.17Å; R267-A313 WeakPolarHBondContact CD-O 3.44Å; R267-P315 HydrophobicContact CB-CG 4.38Å
268A96.8Very high85.3Confident1 Ų166.1 Ų66.11%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-145.5160170.200000111.9A253 L270 W311 Q316 A318A253-A268 HydrophobicContact CB-CB 4.47Å; A253-A268 PolarHBondContact N-O 2.73Å; A253-A268 PolarHBondContact O-N 3.36Å; A268-L270 HydrophobicContact CB-CD2 4.48Å; A268-W311 HydrophobicContact CB-CD2 3.73Å; A268-W311 HydrophobicContact CB-CE3 3.62Å; A268-W311 HydrophobicContact CB-CH2 3.47Å; A268-W311 VanDerWaalsContact CB-CH2 3.47Å; A268-W311 HydrophobicContact CB-CZ2 3.66Å; A268-W311 HydrophobicContact CB-CZ3 3.5Å; A268-W311 VanDerWaalsContact CB-CZ3 3.5Å; A268-Q316 CarbonylContact C-O 3.52Å; A268-Q316 WeakPolarHBondContact CA-O 3.47Å; A268-A318 HydrophobicContact CB-CB 3.74Å
269Q95.3Very high84.9Confident67 Ų6768 Ų6831%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-105.4115.7167.3-178.259.754.100107.6S250 G251 Q316 D317 A318S250-Q269 PolarHBondContact O-NE2 3.15Å; G251-Q269 PolarHBondContact O-NE2 2.81Å; Q269-Q316 PolarHBondContact N-O 3.48Å; Q269-D317 WeakPolarHBondContact O-CA 3.39Å; Q269-A318 PolarHBondContact O-N 3.34Å
270L94.3Very high84.7Confident5 Ų563.6 Ų63.63%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-84.4146174.5-52.4-168000109.3L247 G251 A253 A268 V272 F294 V296 Y306 W311 A318L247-L270 HydrophobicContact CD1-CD1 3.67Å; L247-L270 HydrophobicContact CD1-CG 4.22Å; G251-L270 PolarHBondContact O-N 2.96Å; A253-L270 HydrophobicContact CB-CD1 4.38Å; A253-L270 HydrophobicContact CB-CD2 4.26Å; A253-L270 HydrophobicContact CB-CG 4.1Å; A268-L270 HydrophobicContact CB-CD2 4.48Å; L270-V272 PolarHBondContact O-N 2.75Å; L270-V272 VanDerWaalsContact O-N 3.1Å; L270-F294 HydrophobicContact CD1-CE2 4.49Å; L270-V296 HydrophobicContact CD1-CG2 4Å; L270-Y306 HydrophobicContact CD1-CD2 4.26Å; L270-Y306 HydrophobicContact CD1-CE2 3.85Å; L270-Y306 HydrophobicContact CD2-CD1 3.86Å; L270-Y306 HydrophobicContact CD2-CD2 4.47Å; L270-Y306 HydrophobicContact CD2-CE1 3.63Å; L270-Y306 HydrophobicContact CD2-CE2 4.28Å; L270-Y306 HydrophobicContact CD2-CG 4.28Å; L270-W311 HydrophobicContact CD2-CH2 4.06Å; L270-W311 HydrophobicContact CD2-CZ2 4.34Å; L270-A318 HydrophobicContact CD2-CB 3.95Å
271D87.8Confident84.7Confident88 Ų8859.2 Ų59.247%0.47132%0.322SS..  trans-72.6100.5170.9-176.824.5000109.6Q273D271-Q273 PolarHBondContact OD2-NE2 3.46Å
272V80.1Confident85Confident39 Ų3959.6 Ų59.624%0.23633%0.325CS..  trans-102.7104.2177174.50000108L270 T274 L299L270-V272 PolarHBondContact O-N 2.75Å; L270-V272 VanDerWaalsContact O-N 3.1Å; V272-T274 WeakPolarHBondContact CG1-O 3.39Å; V272-L299 HydrophobicContact CG1-CB 4.15Å; V272-L299 HydrophobicContact CG1-CD1 4.42Å; V272-L299 HydrophobicContact CG1-CD2 4.27Å; V272-L299 HydrophobicContact CG2-CD1 3.9Å
273Q70.1Confident85.7Confident142 Ų14257.7 Ų57.766%0.66430%0.3SS*.  trans-87.3-20.1-176-60.4-151.61100113.4D271D271-Q273 PolarHBondContact OD2-NE2 3.46Å
274T69.6Low86.3Confident72 Ų7257.1 Ų57.144%0.44229%0.291SS..SBendtrans-138145-178.361.70000111.9V272 L299V272-T274 WeakPolarHBondContact CG1-O 3.39Å; T274-L299 PolarHBondContact N-O 3.1Å; T274-L299 VanDerWaalsContact O-O 3.09Å; T274-L299 PolarHBondContact OG1-O 2.81Å
275L71.7Confident86.6Confident143 Ų14356.3 Ų56.375%0.74928%0.284SS*.  trans-72.4140.2167.9-75.6167.4000109.3
276P74.9Confident86.8Confident25 Ų2552.7 Ų52.716%0.16226%0.264CS..  trans-64.5141.9177.128.8-34.3000110.1W233 K278 V282 L299W233-P276 HydrophobicContact CH2-CG 4Å; W233-P276 HydrophobicContact CZ2-CG 4.18Å; P276-K278 VanDerWaalsContact C-N 3.35Å; P276-V282 HydrophobicContact CB-CG2 3.51Å; P276-V282 HydrophobicContact CG-CG2 4.11Å; P276-L299 HydrophobicContact CB-CD2 4.14Å; P276-L299 HydrophobicContact CG-CD2 4.07Å
277R75.9Confident86.9Confident137 Ų13752.3 Ų52.352%0.51726%0.262SS..SBendtrans-66.4-42.7175.3-68.2-169.4-175.6-179.611.7110.9P339 F341R277-P339 PolarHBondContact NH2-O 3.23Å; R277-F341 VanDerWaalsContact CZ-CD1 3.49Å
278K82.8Confident86.7Confident93 Ų9352.7 Ų52.740%0.40427%0.272SS..SBendtrans-136.9147.9173.6-48-171.6-171.61740110.3P276 E280 D281P276-K278 VanDerWaalsContact C-N 3.35Å; K278-E280 HydrophobicContact CB-CG 3.99Å; K278-E280 WeakPolarHBondContact CB-OE1 3.45Å; K278-E280 WeakPolarHBondContact CB-OE2 3.41Å; K278-E280 HydrophobicContact CD-CG 4.39Å; K278-E280 WeakPolarHBondContact CD-OE1 3.46Å; K278-E280 IonicContact NZ-OE1 3.96Å; K278-E280 PolarHBondContact O-N 3.35Å; K278-D281 PolarHBondContact N-OD2 2.88Å; K278-D281 PolarHBondContact O-N 3.17Å; K278-D281 VanDerWaalsContact O-N 3.16Å
279P83Confident86.4Confident52 Ų5255.1 Ų55.134%0.33829%0.292SS..G310 helixtrans-57-31.4177.9-24.634.6000113.5L231 W233 D281L231-P279 HydrophobicContact CD1-CB 4.14Å; L231-P279 HydrophobicContact CD1-CG 3.79Å; W233-P279 PolarHBondContact NE1-O 3.21Å; P279-D281 VanDerWaalsContact C-N 3.33Å; P279-D281 PolarHBondContact O-N 2.86Å
280E84Confident86.2Confident92 Ų9253.2 Ų53.243%0.4328%0.284SS..G310 helixtrans-71.7-18.8179.559.4-93.5-152.200115.1K278 V282K278-E280 HydrophobicContact CB-CG 3.99Å; K278-E280 WeakPolarHBondContact CB-OE1 3.45Å; K278-E280 WeakPolarHBondContact CB-OE2 3.41Å; K278-E280 HydrophobicContact CD-CG 4.39Å; K278-E280 WeakPolarHBondContact CD-OE1 3.46Å; K278-E280 IonicContact NZ-OE1 3.96Å; K278-E280 PolarHBondContact O-N 3.35Å; E280-V282 PolarHBondContact O-N 3.11Å
281D86.4Confident86Confident3 Ų358 Ų582%0.01631%0.309CS..G310 helixtrans-79-10.4-179.5-62.5-40.7000112.3Q38 K278 P279 G298Q38-D281 PolarHBondContact NE2-OD1 3Å; K278-D281 PolarHBondContact N-OD2 2.88Å; K278-D281 PolarHBondContact O-N 3.17Å; K278-D281 VanDerWaalsContact O-N 3.16Å; P279-D281 VanDerWaalsContact C-N 3.33Å; P279-D281 PolarHBondContact O-N 2.86Å; D281-G298 WeakPolarHBondContact O-CA 3.43Å
282V93.2Very high86.2Confident10 Ų1053.8 Ų53.86%0.06129%0.287CS..  trans-90.3121.5178.2179.70000109.8W233 P276 E280 V284 S297 L299W233-V282 HydrophobicContact CD2-CB 3.86Å; W233-V282 HydrophobicContact CD2-CG1 3.52Å; W233-V282 VanDerWaalsContact CE2-CB 3.47Å; W233-V282 HydrophobicContact CE3-CB 4.4Å; W233-V282 HydrophobicContact CE3-CG1 3.72Å; W233-V282 HydrophobicContact CG-CB 4.25Å; W233-V282 HydrophobicContact CG-CG1 3.9Å; W233-V282 HydrophobicContact CH2-CB 4.28Å; W233-V282 HydrophobicContact CH2-CG1 4.27Å; W233-V282 HydrophobicContact CH2-CG2 3.87Å; W233-V282 HydrophobicContact CZ2-CB 3.73Å; W233-V282 HydrophobicContact CZ2-CG1 4.1Å; W233-V282 HydrophobicContact CZ2-CG2 3.54Å; W233-V282 HydrophobicContact CZ3-CG1 4.07Å; W233-V282 HydrophobicContact CZ3-CG2 4.45Å; P276-V282 HydrophobicContact CB-CG2 3.51Å; P276-V282 HydrophobicContact CG-CG2 4.11Å; E280-V282 PolarHBondContact O-N 3.11Å; V282-V284 HydrophobicContact CG1-CG2 4.5Å; V282-S297 WeakPolarHBondContact CA-O 3.43Å; V282-L299 HydrophobicContact CG1-CD1 4.36Å; V282-L299 HydrophobicContact CG1-CG 4.2Å; V282-L299 HydrophobicContact CG2-CD2 3.71Å; V282-L299 HydrophobicContact CG2-CG 4.05Å
283T95.4Very high87Confident28 Ų2852.4 Ų52.417%0.17228%0.279CS..EExtended strand (participates in β ladder)trans-113.6133.2174.8-56.80000109.2V296 S297 H345T283-V296 WeakPolarHBondContact O-CA 3.31Å; T283-S297 PolarHBondContact N-O 2.93Å; T283-S297 PolarHBondContact O-N 3.26Å; T283-H345 VanDerWaalsContact CG2-CE1 3.5Å; T283-H345 WeakPolarHBondContact CG2-CE1 3.44Å; T283-H345 PolarHBondContact O-CE1 3.45Å
284V96.9Very high88.3Confident14 Ų1445.6 Ų45.69%0.08525%0.247CC..EExtended strand (participates in β ladder)trans-124130168.7-176.70000107.1W233 D235 I245 L247 V282 F294 S295 V296W233-V284 HydrophobicContact CB-CG2 3.89Å; D235-V284 WeakPolarHBondContact CB-O 3.06Å; I245-V284 HydrophobicContact CG1-CG1 4.14Å; I245-V284 HydrophobicContact CG2-CG1 3.54Å; L247-V284 HydrophobicContact CB-CG2 3.91Å; L247-V284 HydrophobicContact CD2-CG2 3.5Å; L247-V284 VanDerWaalsContact CD2-CG2 3.5Å; L247-V284 HydrophobicContact CG-CG2 4.34Å; V282-V284 HydrophobicContact CG1-CG2 4.5Å; V284-F294 HydrophobicContact CG1-CD2 4.25Å; V284-S295 WeakPolarHBondContact CA-O 3.41Å; V284-V296 HydrophobicContact CG2-CG2 4.48Å
285A97Very high89.6Confident15 Ų1542.2 Ų42.212%0.12423%0.226CC..EExtended strand (participates in β ladder)trans-146.7128.2-177.700000112.1D235 F294 S295 W347D235-A285 WeakPolarHBondContact OD2-CA 3.45Å; A285-F294 CarbonylContact O-C 3.59Å; A285-F294 WeakPolarHBondContact O-CA 3.26Å; A285-F294 WeakPolarHBondContact O-CB 3.46Å; A285-S295 PolarHBondContact N-O 3.16Å; A285-S295 PolarHBondContact O-N 2.99Å; A285-S295 PolarHBondContact O-OG 3.31Å; A285-W347 PolarHBondContact O-NE1 2.91Å
286W96.9Very high90.8Very high11 Ų1135.5 Ų35.54%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-68139.6167.3-76.9102.8000110.6D235 A236 R243 I245 V255 F294D235-W286 PolarHBondContact O-NE1 2.83Å; D235-W286 PolarHBondContact OD2-N 2.93Å; A236-W286 VanDerWaalsContact C-CD1 3.49Å; R243-W286 HydrophobicContact CB-CH2 4.22Å; R243-W286 HydrophobicContact CB-CZ2 3.7Å; I245-W286 HydrophobicContact CB-CZ2 3.69Å; I245-W286 HydrophobicContact CG2-CZ2 4.2Å; I245-W286 VanDerWaalsContact CG2-NE1 3.31Å; V255-W286 HydrophobicContact CG1-CH2 4.09Å; V255-W286 HydrophobicContact CG1-CZ2 3.98Å; V255-W286 HydrophobicContact CG2-CH2 4.08Å; V255-W286 HydrophobicContact CG2-CZ2 4.16Å; W286-F294 HydrophobicContact CD2-CB 4.08Å; W286-F294 HydrophobicContact CE3-CB 3.78Å; W286-F294 HydrophobicContact CH2-CD1 4.16Å; W286-F294 HydrophobicContact CZ3-CB 4.09Å; W286-F294 HydrophobicContact CZ3-CD1 4.02Å; W286-F294 HydrophobicContact CZ3-CG 4.46Å
287A95.8Very high91.8Very high1 Ų134.3 Ų34.31%0.00818%0.184CC..  trans-66.8127.9171.600000110.1Q241 A289 L290 C293 W347Q241-A287 PolarHBondContact NE2-O 2.72Å; A287-A289 VanDerWaalsContact C-N 3.3Å; A287-A289 PolarHBondContact O-N 2.85Å; A287-L290 HydrophobicContact CB-CB 3.77Å; A287-C293 HydrophobicContact CB-CB 3.97Å; A287-C293 VanDerWaalsContact CB-O 3.28Å; A287-C293 WeakPolarHBondContact CB-O 3.37Å; A287-C293 PolarHBondContact N-O 3.14Å; A287-W347 HydrophobicContact CB-CD2 3.85Å; A287-W347 HydrophobicContact CB-CE3 3.64Å; A287-W347 HydrophobicContact CB-CH2 3.53Å; A287-W347 HydrophobicContact CB-CZ2 3.76Å; A287-W347 HydrophobicContact CB-CZ3 3.37Å
288P93Very high92.5Very high69 Ų6928.3 Ų28.345%0.44816%0.164SC..SBendtrans-69.1-30.4-178.425.8-32.9000112.4W347 H348P288-W347 HydrophobicContact CG-CB 3.93Å; P288-H348 WeakPolarHBondContact CG-O 3.36Å
289A90.5Very high92.5Very high52 Ų5224 Ų2443%0.4315%0.146SC..SBendtrans-123.96.1-172.500000114.6A287 P352A287-A289 VanDerWaalsContact C-N 3.3Å; A287-A289 PolarHBondContact O-N 2.85Å; A289-P352 HydrophobicContact CB-CB 3.9Å
290L91Very high92.3Very high27 Ų2722.7 Ų22.714%0.14114%0.138CC..SBendtrans-120.1112.5171.3-68.9178.8000109.6A287 G292 C293 W347 P352 R353 W369A287-L290 HydrophobicContact CB-CB 3.77Å; L290-G292 PolarHBondContact O-N 2.86Å; L290-C293 HydrophobicContact CB-CB 3.78Å; L290-C293 HydrophobicContact CD1-CB 4.42Å; L290-C293 PolarHBondContact O-N 2.84Å; L290-W347 HydrophobicContact CD1-CH2 4.48Å; L290-W347 HydrophobicContact CD1-CZ3 4.12Å; L290-P352 HydrophobicContact CD1-CB 4.42Å; L290-P352 WeakPolarHBondContact CD1-O 3.26Å; L290-P352 HydrophobicContact CD2-CB 3.62Å; L290-P352 HydrophobicContact CG-CB 3.67Å; L290-P352 WeakPolarHBondContact CG-O 3.25Å; L290-R353 HydrophobicContact CD1-CG 3.95Å; L290-W369 HydrophobicContact CD1-CH2 4.09Å; L290-W369 HydrophobicContact CD1-CZ2 3.86Å
291D90.5Very high92.2Very high104 Ų10419 Ų1956%0.55612%0.124SC*.THydrogen-bonded Turntrans-64.4137.5178.9-175.135.9000111Q241 R243 C293Q241-D291 WeakPolarHBondContact CG-OD1 3.44Å; R243-D291 IonicContact CZ-OD1 3.76Å; R243-D291 IonicContact NH2-OD1 3.21Å; R243-D291 PolarHBondContact NH2-OD1 2.79Å; R243-D291 IonicContact NH2-OD2 3.5Å; D291-C293 PolarHBondContact O-N 3.2Å; D291-C293 VanDerWaalsContact O-N 3.09Å
292G92.1Very high92.5Very high1 Ų120.4 Ų20.41%0.0113%0.132CC..THydrogen-bonded Turntrans74.3-10.617800000115.9L290 S308L290-G292 PolarHBondContact O-N 2.86Å; G292-S308 WeakPolarHBondContact CA-OG 3.47Å; G292-S308 WeakPolarHBondContact O-CB 3.28Å; G292-S308 PolarHBondContact O-N 3.4Å; G292-S308 PolarHBondContact O-OG 2.93Å
293C95.8Very high92.6Very high9 Ų919.9 Ų19.96%0.06113%0.129CC..EExtended strand (participates in β ladder)trans-88.9138.3179-68.20000112.2A287 L290 D291 Y306A287-C293 HydrophobicContact CB-CB 3.97Å; A287-C293 VanDerWaalsContact CB-O 3.28Å; A287-C293 WeakPolarHBondContact CB-O 3.37Å; A287-C293 PolarHBondContact N-O 3.14Å; L290-C293 HydrophobicContact CB-CB 3.78Å; L290-C293 HydrophobicContact CD1-CB 4.42Å; L290-C293 PolarHBondContact O-N 2.84Å; D291-C293 PolarHBondContact O-N 3.2Å; D291-C293 VanDerWaalsContact O-N 3.09Å; C293-Y306 VanDerWaalsContact CA-O 3.29Å; C293-Y306 WeakPolarHBondContact CA-O 3.3Å
294F97Very high92.6Very high0 Ų019 Ų190%012%0.122CC..EExtended strand (participates in β ladder)trans-144.4162.6170.872.2-83.4000110I245 L270 V284 A285 W286 V296 I305 Y306 W311I245-F294 HydrophobicContact CD1-CZ 4.36Å; I245-F294 HydrophobicContact CG1-CD2 4.41Å; I245-F294 HydrophobicContact CG1-CE2 4.31Å; L270-F294 HydrophobicContact CD1-CE2 4.49Å; V284-F294 HydrophobicContact CG1-CD2 4.25Å; A285-F294 CarbonylContact O-C 3.59Å; A285-F294 WeakPolarHBondContact O-CA 3.26Å; A285-F294 WeakPolarHBondContact O-CB 3.46Å; W286-F294 HydrophobicContact CD2-CB 4.08Å; W286-F294 HydrophobicContact CE3-CB 3.78Å; W286-F294 HydrophobicContact CH2-CD1 4.16Å; W286-F294 HydrophobicContact CZ3-CB 4.09Å; W286-F294 HydrophobicContact CZ3-CD1 4.02Å; W286-F294 HydrophobicContact CZ3-CG 4.46Å; F294-V296 HydrophobicContact CD2-CG2 4.01Å; F294-V296 HydrophobicContact CE2-CG2 3.63Å; F294-I305 WeakPolarHBondContact O-CA 3.4Å; F294-Y306 HydrophobicContact CE2-CD2 4.13Å; F294-Y306 HydrophobicContact CE2-CG 4.49Å; F294-Y306 HydrophobicContact CZ-CD2 4.15Å; F294-Y306 HydrophobicContact CZ-CG 4.06Å; F294-Y306 PolarHBondContact N-O 2.98Å; F294-Y306 PolarHBondContact O-N 3.27Å; F294-W311 AromaticContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CZ2 4.13Å; F294-W311 HydrophobicContact CE1-CZ3 4.08Å; F294-W311 AromaticContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CZ2 4.28Å; F294-W311 HydrophobicContact CZ-CZ3 4.24Å
295S97.4Very high92.6Very high0 Ų018.3 Ų18.30%012%0.118CC..EExtended strand (participates in β ladder)trans-121.5156.118053.10000112.3V284 A285 Q304 H345 W347V284-S295 WeakPolarHBondContact CA-O 3.41Å; A285-S295 PolarHBondContact N-O 3.16Å; A285-S295 PolarHBondContact O-N 2.99Å; A285-S295 PolarHBondContact O-OG 3.31Å; S295-Q304 CarbonylContact C-O 3.59Å; S295-Q304 WeakPolarHBondContact CA-O 2.96Å; S295-H345 VanDerWaalsContact CB-NE2 3.34Å; S295-H345 WeakPolarHBondContact CB-NE2 3.4Å; S295-H345 PolarHBondContact OG-CD2 3Å; S295-H345 VanDerWaalsContact OG-CD2 3.28Å; S295-H345 PolarHBondContact OG-NE2 3.49Å; S295-W347 PolarHBondContact OG-NE1 2.98Å
296V97Very high92.6Very high2 Ų217.6 Ų17.61%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-136.4137.5177.9-176.10000109.2L247 L270 T283 V284 F294 L299 Q304 Y306L247-V296 HydrophobicContact CD2-CB 4.47Å; L247-V296 HydrophobicContact CD2-CG1 3.58Å; L247-V296 HydrophobicContact CD2-CG2 3.97Å; L270-V296 HydrophobicContact CD1-CG2 4Å; T283-V296 WeakPolarHBondContact O-CA 3.31Å; V284-V296 HydrophobicContact CG2-CG2 4.48Å; F294-V296 HydrophobicContact CD2-CG2 4.01Å; F294-V296 HydrophobicContact CE2-CG2 3.63Å; V296-L299 HydrophobicContact CG1-CD1 4.03Å; V296-Q304 PolarHBondContact N-O 2.83Å; V296-Q304 PolarHBondContact O-N 3.03Å; V296-Y306 HydrophobicContact CB-CE2 4.43Å; V296-Y306 HydrophobicContact CG2-CD2 4.29Å; V296-Y306 HydrophobicContact CG2-CE2 4.26Å
297S95.2Very high92.5Very high0 Ų019.3 Ų19.30%012%0.123CC..EExtended strand (participates in β ladder)trans-140.3170.2168.371.70000111.5V282 T283 H345V282-S297 WeakPolarHBondContact CA-O 3.43Å; T283-S297 PolarHBondContact N-O 2.93Å; T283-S297 PolarHBondContact O-N 3.26Å; S297-H345 VanDerWaalsContact CB-ND1 3.29Å; S297-H345 WeakPolarHBondContact CB-ND1 3.46Å; S297-H345 PolarHBondContact OG-CE1 3.17Å; S297-H345 PolarHBondContact OG-ND1 2.8Å
298G90.7Very high92.4Very high11 Ų1119.5 Ų19.511%0.11312%0.124CC..SBendtrans89.4-3.8176.800000115.1D281D281-G298 WeakPolarHBondContact O-CA 3.43Å
299L84.4Confident92.2Very high2 Ų219.2 Ų19.21%0.0113%0.127CC..SBendtrans-112.2-11.9-178.1-66.7-179.9000114.7W233 L247 V272 T274 P276 V282 V296W233-L299 HydrophobicContact CH2-CD2 4.35Å; L247-L299 HydrophobicContact CD2-CD1 3.9Å; V272-L299 HydrophobicContact CG1-CB 4.15Å; V272-L299 HydrophobicContact CG1-CD1 4.42Å; V272-L299 HydrophobicContact CG1-CD2 4.27Å; V272-L299 HydrophobicContact CG2-CD1 3.9Å; T274-L299 PolarHBondContact N-O 3.1Å; T274-L299 VanDerWaalsContact O-O 3.09Å; T274-L299 PolarHBondContact OG1-O 2.81Å; P276-L299 HydrophobicContact CB-CD2 4.14Å; P276-L299 HydrophobicContact CG-CD2 4.07Å; V282-L299 HydrophobicContact CG1-CD1 4.36Å; V282-L299 HydrophobicContact CG1-CG 4.2Å; V282-L299 HydrophobicContact CG2-CD2 3.71Å; V282-L299 HydrophobicContact CG2-CG 4.05Å; V296-L299 HydrophobicContact CG1-CD1 4.03Å
300S77.9Confident92Very high25 Ų2519.9 Ų19.918%0.17514%0.139CC..SBendtrans-142.72.7-173.355.40000114.2L302 Q304S300-L302 PolarHBondContact O-N 2.83Å; S300-Q304 PolarHBondContact OG-OE1 2.85Å
301G82.2Confident92.2Very high14 Ų1420.1 Ų20.114%0.14414%0.138CC..SBendtrans71.7-2.8-168.700000114.1S328 I342G301-S328 PolarHBondContact O-OG 2.86Å; G301-S328 VanDerWaalsContact O-OG 3.1Å; G301-I342 WeakPolarHBondContact O-CG1 3.16Å
302L91.7Very high92.3Very high33 Ų3323 Ų2317%0.17314%0.141CC..SBendtrans-111.5162-178.9-53.6175.2000110.5S300 Q304 Q323 H324 A325S300-L302 PolarHBondContact O-N 2.83Å; L302-Q304 HydrophobicContact CB-CG 4.11Å; L302-Q323 HydrophobicContact CD1-CB 4.46Å; L302-H324 WeakPolarHBondContact CA-O 3Å; L302-A325 HydrophobicContact CD2-CB 3.52Å
303V95.7Very high92.2Very high0 Ų025.6 Ų25.60%016%0.163CC..EExtended strand (participates in β ladder)trans-98.1117.6157.4-172.70000107.5Q323 H324 I342 H345 W367V303-Q323 WeakPolarHBondContact O-CA 3.41Å; V303-H324 HydrophobicContact CB-CB 4.13Å; V303-H324 PolarHBondContact N-O 2.72Å; V303-H324 VanDerWaalsContact N-O 3.17Å; V303-H324 PolarHBondContact O-N 3.17Å; V303-I342 HydrophobicContact CG2-CD1 4.38Å; V303-I342 HydrophobicContact CG2-CG1 4.18Å; V303-I342 HydrophobicContact CG2-CG2 4.05Å; V303-H345 HydrophobicContact CG1-CB 4.29Å; V303-H345 HydrophobicContact CG2-CB 4.26Å; V303-W367 HydrophobicContact CB-CZ2 3.97Å; V303-W367 HydrophobicContact CG1-CH2 4.36Å; V303-W367 HydrophobicContact CG1-CZ2 3.9Å
304Q96Very high91.8Very high8 Ų831.3 Ų31.34%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-109.3132.5-176.8-63.3174.6-73.800109.3S295 V296 S300 L302 Y306 P320 Q323S295-Q304 CarbonylContact C-O 3.59Å; S295-Q304 WeakPolarHBondContact CA-O 2.96Å; V296-Q304 PolarHBondContact N-O 2.83Å; V296-Q304 PolarHBondContact O-N 3.03Å; S300-Q304 PolarHBondContact OG-OE1 2.85Å; L302-Q304 HydrophobicContact CB-CG 4.11Å; Q304-Y306 HydrophobicContact CB-CD2 4.38Å; Q304-Y306 HydrophobicContact CB-CE2 3.6Å; Q304-Y306 PolarHBondContact NE2-OH 2.65Å; Q304-P320 HydrophobicContact CB-CB 4.21Å; Q304-Q323 HydrophobicContact CG-CG 4.21Å
305I96.7Very high91.4Very high0 Ų035.6 Ų35.60%022%0.216CC..EExtended strand (participates in β ladder)trans-107.4131.5175.1-61.7165.3000107.8F294 P320 L321 F322 W347 L355 W367 W369F294-I305 WeakPolarHBondContact O-CA 3.4Å; I305-P320 CarbonylContact O-C 3.51Å; I305-P320 VanDerWaalsContact O-CA 3.29Å; I305-P320 WeakPolarHBondContact O-CA 3.47Å; I305-P320 WeakPolarHBondContact O-CB 3.2Å; I305-L321 PolarHBondContact O-N 3.43Å; I305-F322 HydrophobicContact CB-CB 4.2Å; I305-F322 HydrophobicContact CD1-CB 4.13Å; I305-F322 HydrophobicContact CD1-CD1 4.04Å; I305-F322 HydrophobicContact CD1-CG 4.45Å; I305-F322 PolarHBondContact N-O 3.34Å; I305-F322 PolarHBondContact O-N 2.77Å; I305-W347 HydrophobicContact CD1-CH2 4.35Å; I305-W347 HydrophobicContact CG1-CH2 4.41Å; I305-W347 HydrophobicContact CG1-CZ2 4.35Å; I305-W347 HydrophobicContact CG2-CH2 4.15Å; I305-W347 HydrophobicContact CG2-CZ2 4.4Å; I305-L355 HydrophobicContact CD1-CD1 3.82Å; I305-W367 HydrophobicContact CD1-CH2 3.69Å; I305-W367 HydrophobicContact CD1-CZ3 3.86Å; I305-W367 HydrophobicContact CG1-CH2 4.39Å; I305-W369 HydrophobicContact CD1-CD2 3.82Å; I305-W369 HydrophobicContact CD1-CE3 3.74Å; I305-W369 HydrophobicContact CD1-CH2 3.5Å; I305-W369 HydrophobicContact CD1-CZ2 3.57Å; I305-W369 HydrophobicContact CD1-CZ3 3.62Å; I305-W369 HydrophobicContact CG2-CZ2 4.42Å
306Y96.3Very high91.2Very high1 Ų138.7 Ų38.70%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-119.1147.4177.1-65.7-89.6000109.9L270 C293 F294 V296 Q304 W311 A318 P320L270-Y306 HydrophobicContact CD1-CD2 4.26Å; L270-Y306 HydrophobicContact CD1-CE2 3.85Å; L270-Y306 HydrophobicContact CD2-CD1 3.86Å; L270-Y306 HydrophobicContact CD2-CD2 4.47Å; L270-Y306 HydrophobicContact CD2-CE1 3.63Å; L270-Y306 HydrophobicContact CD2-CE2 4.28Å; L270-Y306 HydrophobicContact CD2-CG 4.28Å; C293-Y306 VanDerWaalsContact CA-O 3.29Å; C293-Y306 WeakPolarHBondContact CA-O 3.3Å; F294-Y306 HydrophobicContact CE2-CD2 4.13Å; F294-Y306 HydrophobicContact CE2-CG 4.49Å; F294-Y306 HydrophobicContact CZ-CD2 4.15Å; F294-Y306 HydrophobicContact CZ-CG 4.06Å; F294-Y306 PolarHBondContact N-O 2.98Å; F294-Y306 PolarHBondContact O-N 3.27Å; V296-Y306 HydrophobicContact CB-CE2 4.43Å; V296-Y306 HydrophobicContact CG2-CD2 4.29Å; V296-Y306 HydrophobicContact CG2-CE2 4.26Å; Q304-Y306 HydrophobicContact CB-CD2 4.38Å; Q304-Y306 HydrophobicContact CB-CE2 3.6Å; Q304-Y306 PolarHBondContact NE2-OH 2.65Å; Y306-W311 HydrophobicContact CD1-CZ2 4.48Å; Y306-A318 HydrophobicContact CD1-CB 4.25Å; Y306-A318 HydrophobicContact CE1-CB 4.42Å; Y306-P320 HydrophobicContact CD1-CB 4.3Å; Y306-P320 HydrophobicContact CE1-CB 3.91Å; Y306-P320 HydrophobicContact CE2-CB 4.49Å
307D94.8Very high91.1Very high47 Ų4745.4 Ų45.425%0.25127%0.267SS..EExtended strand (participates in β ladder)trans-106.4121.3166.1-1744.2000108.8A309 W311 L321D307-A309 WeakPolarHBondContact OD1-CB 3.44Å; D307-A309 PolarHBondContact OD1-N 2.78Å; D307-A309 WeakPolarHBondContact OD2-CB 3.45Å; D307-W311 PolarHBondContact O-NE1 3.2Å; D307-L321 HydrophobicContact CB-CD2 4.48Å
308S94.6Very high91.1Very high4 Ų446 Ų463%0.02827%0.272CS..  trans-79.2-7.8175.461.50000112.9R243 G292 G310 W311R243-S308 PolarHBondContact NH1-OG 3.24Å; R243-S308 VanDerWaalsContact NH1-OG 3.12Å; G292-S308 WeakPolarHBondContact CA-OG 3.47Å; G292-S308 WeakPolarHBondContact O-CB 3.28Å; G292-S308 PolarHBondContact O-N 3.4Å; G292-S308 PolarHBondContact O-OG 2.93Å; S308-G310 PolarHBondContact O-N 3.32Å; S308-W311 WeakPolarHBondContact O-CB 3.26Å; S308-W311 PolarHBondContact O-N 3.27Å; S308-W311 VanDerWaalsContact O-N 3.15Å
309A89.7Confident91.2Very high63 Ų6350.5 Ų50.552%0.52130%0.301SS..THydrogen-bonded Turntrans-60.6128.9172.500000110.1D307 W311D307-A309 WeakPolarHBondContact OD1-CB 3.44Å; D307-A309 PolarHBondContact OD1-N 2.78Å; D307-A309 WeakPolarHBondContact OD2-CB 3.45Å; A309-W311 VanDerWaalsContact C-N 3.31Å; A309-W311 PolarHBondContact O-N 3.46Å
310G86.4Confident91.7Very high66 Ų6652 Ų5268%0.6831%0.311SS*.THydrogen-bonded Turntrans84.7-2.4-178.100000115.1S308S308-G310 PolarHBondContact O-N 3.32Å
311W94.7Very high92.4Very high32 Ų3253.4 Ų53.412%0.12132%0.316CS..  trans-68.9149.5168.1-659.5000111.5A253 V255 C266 A268 L270 F294 Y306 D307 S308 A309 A318A253-W311 HydrophobicContact CB-CH2 4.08Å; A253-W311 HydrophobicContact CB-CZ3 3.95Å; V255-W311 HydrophobicContact CG2-CE3 4.39Å; V255-W311 HydrophobicContact CG2-CZ3 4.23Å; C266-W311 HydrophobicContact CB-CB 3.52Å; A268-W311 HydrophobicContact CB-CD2 3.73Å; A268-W311 HydrophobicContact CB-CE3 3.62Å; A268-W311 HydrophobicContact CB-CH2 3.47Å; A268-W311 VanDerWaalsContact CB-CH2 3.47Å; A268-W311 HydrophobicContact CB-CZ2 3.66Å; A268-W311 HydrophobicContact CB-CZ3 3.5Å; A268-W311 VanDerWaalsContact CB-CZ3 3.5Å; L270-W311 HydrophobicContact CD2-CH2 4.06Å; L270-W311 HydrophobicContact CD2-CZ2 4.34Å; F294-W311 AromaticContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CH2 3.56Å; F294-W311 HydrophobicContact CE1-CZ2 4.13Å; F294-W311 HydrophobicContact CE1-CZ3 4.08Å; F294-W311 AromaticContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CH2 3.53Å; F294-W311 HydrophobicContact CZ-CZ2 4.28Å; F294-W311 HydrophobicContact CZ-CZ3 4.24Å; Y306-W311 HydrophobicContact CD1-CZ2 4.48Å; D307-W311 PolarHBondContact O-NE1 3.2Å; S308-W311 WeakPolarHBondContact O-CB 3.26Å; S308-W311 PolarHBondContact O-N 3.27Å; S308-W311 VanDerWaalsContact O-N 3.15Å; A309-W311 VanDerWaalsContact C-N 3.31Å; A309-W311 PolarHBondContact O-N 3.46Å; W311-A318 HydrophobicContact CH2-CB 4.47Å; W311-A318 HydrophobicContact CZ2-CB 3.62Å
312R92.6Very high93.1Very high164 Ų16453.7 Ų53.762%0.61931%0.313SS*.BIsolated β-bridgetrans-111.2170.4-177.4-61.6-177.1-177-83.5-4.3111.2C266 R267 E314C266-R312 CarbonylContact C-O 3.5Å; C266-R312 WeakPolarHBondContact CA-O 3.29Å; C266-R312 VanDerWaalsContact CB-O 3.3Å; C266-R312 WeakPolarHBondContact CB-O 3.47Å; R267-R312 PolarHBondContact N-O 3.17Å; R312-E314 VanDerWaalsContact C-N 3.28Å
313A88.6Confident93.2Very high56 Ų5656.5 Ų56.546%0.46333%0.326SS..SBendtrans-66.3-34.5175.900000111.4R267R267-A313 WeakPolarHBondContact CD-O 3.44Å
314E89Confident93.1Very high129 Ų12956.6 Ų56.660%0.60333%0.326SS*.SBendtrans-71.8139.2171.1-58.985-179.700111.4R312 Q316R312-E314 VanDerWaalsContact C-N 3.28Å; E314-Q316 PolarHBondContact O-N 2.81Å
315P88.9Confident92.9Very high90 Ų9057.2 Ų57.258%0.58433%0.333SS*.  trans-59.9135.7174.8-21.232.4000112.1R267R267-P315 HydrophobicContact CB-CG 4.38Å
316Q93.1Very high92.5Very high66 Ų6657.2 Ų57.231%0.30833%0.333SS..  trans-140.5153.1174.963.1179.725.600110.1A268 Q269 E314A268-Q316 CarbonylContact C-O 3.52Å; A268-Q316 WeakPolarHBondContact CA-O 3.47Å; Q269-Q316 PolarHBondContact N-O 3.48Å; E314-Q316 PolarHBondContact O-N 2.81Å
317D94.9Very high92.2Very high143 Ų14357.2 Ų57.277%0.76533%0.333SS*.EExtended strand (participates in β ladder)trans-67.5134.5172.5-60.3-33.4000109.9Q269Q269-D317 WeakPolarHBondContact O-CA 3.39Å
318A94.2Very high91.7Very high13 Ų1356.3 Ų56.311%0.10733%0.33CS..EExtended strand (participates in β ladder)trans-114.3131.1177.100000110.8A268 Q269 L270 Y306 W311A268-A318 HydrophobicContact CB-CB 3.74Å; Q269-A318 PolarHBondContact O-N 3.34Å; L270-A318 HydrophobicContact CD2-CB 3.95Å; Y306-A318 HydrophobicContact CD1-CB 4.25Å; Y306-A318 HydrophobicContact CE1-CB 4.42Å; W311-A318 HydrophobicContact CH2-CB 4.47Å; W311-A318 HydrophobicContact CZ2-CB 3.62Å
319S92.9Very high90.9Very high105 Ų10556.8 Ų56.873%0.73433%0.333SS*.  trans-91.7145.6167.747.40000110.1
320P94.3Very high89.8Confident32 Ų3256.6 Ų56.621%0.20833%0.328CS..  trans-67.5139.8174.827.2-32.5000110.6Q304 I305 Y306 F322 Q323Q304-P320 HydrophobicContact CB-CB 4.21Å; I305-P320 CarbonylContact O-C 3.51Å; I305-P320 VanDerWaalsContact O-CA 3.29Å; I305-P320 WeakPolarHBondContact O-CA 3.47Å; I305-P320 WeakPolarHBondContact O-CB 3.2Å; Y306-P320 HydrophobicContact CD1-CB 4.3Å; Y306-P320 HydrophobicContact CE1-CB 3.91Å; Y306-P320 HydrophobicContact CE2-CB 4.49Å; P320-F322 VanDerWaalsContact C-N 3.25Å; P320-Q323 HydrophobicContact CB-CG 3.8Å; P320-Q323 VanDerWaalsContact CG-CD 3.41Å; P320-Q323 HydrophobicContact CG-CG 3.42Å; P320-Q323 VanDerWaalsContact CG-CG 3.42Å
321L94.4Very high88.6Confident55 Ų5554.8 Ų54.829%0.28831%0.305SS..SBendtrans-63.8-34.9168.1177.665.5000111.1I305 D307 P372I305-L321 PolarHBondContact O-N 3.43Å; D307-L321 HydrophobicContact CB-CD2 4.48Å; L321-P372 HydrophobicContact CD1-CG 4.12Å
322F95Very high87Confident20 Ų2057.3 Ų57.39%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-152.8149.6179.8-174-92.7000111.4Y25 I305 P320 H324 W367 W369Y25-F322 HydrophobicContact CD1-CZ 4.13Å; Y25-F322 AromaticContact CE1-CE1 3.83Å; Y25-F322 HydrophobicContact CE1-CE1 3.83Å; Y25-F322 AromaticContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE1-CZ 3.48Å; Y25-F322 VanDerWaalsContact CE1-CZ 3.48Å; Y25-F322 HydrophobicContact CE2-CZ 4.26Å; Y25-F322 AromaticContact CZ-CZ 3.54Å; I305-F322 HydrophobicContact CB-CB 4.2Å; I305-F322 HydrophobicContact CD1-CB 4.13Å; I305-F322 HydrophobicContact CD1-CD1 4.04Å; I305-F322 HydrophobicContact CD1-CG 4.45Å; I305-F322 PolarHBondContact N-O 3.34Å; I305-F322 PolarHBondContact O-N 2.77Å; P320-F322 VanDerWaalsContact C-N 3.25Å; F322-H324 HydrophobicContact CE1-CB 4.2Å; F322-W367 HydrophobicContact CD1-CH2 4.05Å; F322-W367 AromaticContact CD1-CZ3 3.62Å; F322-W367 HydrophobicContact CD1-CZ3 3.62Å; F322-W367 AromaticContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CH2 4.03Å; F322-W367 AromaticContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CZ-CZ3 4.41Å; F322-W369 HydrophobicContact CB-CG 4.49Å; F322-W369 HydrophobicContact CD1-CB 4.16Å; F322-W369 HydrophobicContact CD1-CG 4.1Å; F322-W369 HydrophobicContact CD2-CB 3.87Å; F322-W369 AromaticContact CD2-CD1 3.64Å; F322-W369 AromaticContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CE1-CB 3.87Å; F322-W369 HydrophobicContact CE1-CG 4.31Å; F322-W369 HydrophobicContact CE2-CB 3.54Å; F322-W369 HydrophobicContact CE2-CG 4.09Å; F322-W369 HydrophobicContact CG-CB 4.16Å; F322-W369 AromaticContact CG-CD1 3.76Å; F322-W369 AromaticContact CG-CG 3.88Å; F322-W369 HydrophobicContact CG-CG 3.88Å; F322-W369 HydrophobicContact CZ-CB 3.55Å; F322-W369 HydrophobicContact CZ-CG 4.3Å
323Q94.1Very high85.1Confident93 Ų9355.3 Ų55.344%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-132.6125.6175.9-57.3-175.4-90.100110.9L302 V303 Q304 P320L302-Q323 HydrophobicContact CD1-CB 4.46Å; V303-Q323 WeakPolarHBondContact O-CA 3.41Å; Q304-Q323 HydrophobicContact CG-CG 4.21Å; P320-Q323 HydrophobicContact CB-CG 3.8Å; P320-Q323 VanDerWaalsContact CG-CD 3.41Å; P320-Q323 HydrophobicContact CG-CG 3.42Å; P320-Q323 VanDerWaalsContact CG-CG 3.42Å
324H94.4Very high83.3Confident1 Ų154.5 Ų54.51%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-95.2113.5171.1179.667.6000110.8Y25 L302 V303 F322 H327 H365 W367Y25-H324 AromaticContact CE1-ND1 3.62Å; Y25-H324 AromaticContact CZ-ND1 3.49Å; Y25-H324 WeakPolarHBondContact OH-CA 3.21Å; Y25-H324 PolarHBondContact OH-ND1 3.19Å; L302-H324 WeakPolarHBondContact CA-O 3Å; V303-H324 HydrophobicContact CB-CB 4.13Å; V303-H324 PolarHBondContact N-O 2.72Å; V303-H324 VanDerWaalsContact N-O 3.17Å; V303-H324 PolarHBondContact O-N 3.17Å; F322-H324 HydrophobicContact CE1-CB 4.2Å; H324-H327 AromaticContact CD2-CD2 3.73Å; H324-H327 AromaticContact NE2-CD2 3.56Å; H324-H327 AromaticContact NE2-NE2 3.89Å; H324-H365 AromaticContact CE1-ND1 3.54Å; H324-H365 AromaticContact NE2-CE1 3.98Å; H324-H365 AromaticContact NE2-CG 3.88Å; H324-H365 AromaticContact NE2-ND1 2.97Å; H324-H365 PolarHBondContact NE2-ND1 3.1Å; H324-W367 HydrophobicContact CB-CD2 4.34Å; H324-W367 HydrophobicContact CB-CH2 3.77Å; H324-W367 HydrophobicContact CB-CZ2 3.56Å; H324-W367 HydrophobicContact CB-CZ3 4.27Å; H324-W367 AromaticContact CD2-NE1 3.78Å; H324-W367 AromaticContact CG-CE2 3.74Å; H324-W367 AromaticContact CG-CZ2 3.97Å; H324-W367 AromaticContact CG-NE1 3.87Å
325A91Very high81.3Confident21 Ų2156.8 Ų56.817%0.17433%0.329CS..  trans-107.75.4179.900000114.3L302 H327 S328 V329L302-A325 HydrophobicContact CD2-CB 3.52Å; A325-H327 VanDerWaalsContact C-N 3.26Å; A325-H327 PolarHBondContact O-N 3.16Å; A325-S328 PolarHBondContact O-N 3.11Å; A325-S328 VanDerWaalsContact O-N 3.11Å; A325-V329 HydrophobicContact CB-CG2 4.28Å; A325-V329 WeakPolarHBondContact O-CG2 3.4Å; A325-V329 PolarHBondContact O-N 3.1Å; A325-V329 VanDerWaalsContact O-N 3.1Å
326G88.6Confident79.7Confident0 Ų056.3 Ų56.30%034%0.34CS..Hα-helixtrans-58.7-35.3-170.800000114S330 H365G326-S330 WeakPolarHBondContact O-CB 3.47Å; G326-S330 PolarHBondContact O-N 2.94Å; G326-S330 PolarHBondContact O-OG 3.44Å; G326-H365 VanDerWaalsContact C-CE1 3.44Å
327H90.4Very high78.2Confident1 Ų156.8 Ų56.81%0.00535%0.351CS..Hα-helixtrans-68.6-41.6178.5-65.7-77.2000112.2H324 A325 S331 V340 I342 S357 A359 S363 H365H324-H327 AromaticContact CD2-CD2 3.73Å; H324-H327 AromaticContact NE2-CD2 3.56Å; H324-H327 AromaticContact NE2-NE2 3.89Å; A325-H327 VanDerWaalsContact C-N 3.26Å; A325-H327 PolarHBondContact O-N 3.16Å; H327-S331 PolarHBondContact O-OG 3.2Å; H327-V340 HydrophobicContact CB-CG1 4.42Å; H327-I342 HydrophobicContact CB-CD1 3.66Å; H327-I342 WeakPolarHBondContact CD2-CD1 3.33Å; H327-S357 PolarHBondContact CE1-O 3.35Å; H327-S357 WeakPolarHBondContact NE2-CB 3.49Å; H327-S357 PolarHBondContact NE2-O 2.99Å; H327-S357 PolarHBondContact NE2-OG 3.02Å; H327-A359 HydrophobicContact CB-CB 3.93Å; H327-A359 WeakPolarHBondContact ND1-CB 3.23Å; H327-S363 PolarHBondContact CE1-O 3.34Å; H327-S363 PolarHBondContact ND1-OG 3.17Å; H327-H365 AromaticContact CD2-CE1 3.93Å; H327-H365 AromaticContact CD2-ND1 3.54Å; H327-H365 AromaticContact CE1-CD2 3.61Å; H327-H365 AromaticContact CE1-CE1 3.6Å; H327-H365 AromaticContact CE1-CG 3.39Å; H327-H365 AromaticContact CE1-ND1 3.38Å; H327-H365 PolarHBondContact CE1-ND1 3.1Å; H327-H365 AromaticContact CE1-NE2 3.75Å; H327-H365 AromaticContact CG-CE1 3.62Å; H327-H365 AromaticContact CG-ND1 3.72Å; H327-H365 PolarHBondContact N-CE1 2.86Å; H327-H365 AromaticContact ND1-CD2 3.98Å; H327-H365 AromaticContact ND1-CE1 3.38Å; H327-H365 PolarHBondContact ND1-CE1 3.5Å; H327-H365 AromaticContact ND1-CG 3.98Å; H327-H365 AromaticContact ND1-ND1 3.6Å; H327-H365 AromaticContact ND1-NE2 3.63Å; H327-H365 AromaticContact NE2-CE1 3.94Å; H327-H365 AromaticContact NE2-CG 3.54Å; H327-H365 AromaticContact NE2-ND1 3.34Å; H327-H365 PolarHBondContact NE2-ND1 2.82Å
328S83.4Confident77.1Confident29 Ų2953.1 Ų53.120%0.20334%0.34CS..Hα-helixtrans-69-44.3-179.8-52.20000111.7G301 A325 S331 Q332G301-S328 PolarHBondContact O-OG 2.86Å; G301-S328 VanDerWaalsContact O-OG 3.1Å; A325-S328 PolarHBondContact O-N 3.11Å; A325-S328 VanDerWaalsContact O-N 3.11Å; S328-S331 PolarHBondContact O-N 3.17Å; S328-S331 PolarHBondContact O-OG 3.45Å; S328-Q332 WeakPolarHBondContact O-CG 3.29Å
329V78Confident76.4Confident13 Ų1357.1 Ų57.18%0.07937%0.365CS..Hα-helixtrans-67.5-42.7-176.6175.20000111.3L14 W17 A325 S331 Q332L14-V329 HydrophobicContact CD2-CG1 3.49Å; L14-V329 VanDerWaalsContact CD2-CG1 3.49Å; L14-V329 WeakPolarHBondContact CD2-O 3.29Å; W17-V329 HydrophobicContact CB-CG1 3.93Å; W17-V329 HydrophobicContact CB-CG2 4.31Å; W17-V329 HydrophobicContact CD2-CB 4.2Å; W17-V329 HydrophobicContact CD2-CG1 3.9Å; W17-V329 HydrophobicContact CD2-CG2 4.25Å; W17-V329 HydrophobicContact CE3-CG1 3.98Å; W17-V329 HydrophobicContact CG-CB 4.23Å; W17-V329 HydrophobicContact CG-CG1 3.86Å; W17-V329 HydrophobicContact CG-CG2 3.85Å; A325-V329 HydrophobicContact CB-CG2 4.28Å; A325-V329 WeakPolarHBondContact O-CG2 3.4Å; A325-V329 PolarHBondContact O-N 3.1Å; A325-V329 VanDerWaalsContact O-N 3.1Å; V329-S331 PolarHBondContact O-N 3.49Å; V329-S331 VanDerWaalsContact O-N 3.17Å; V329-Q332 PolarHBondContact O-N 2.85Å
330S66.9Low76.2Confident59 Ų5953.1 Ų53.141%0.41334%0.336SS..Hα-helixtrans-66.2-19.2179.5-52.90000113.6G326G326-S330 WeakPolarHBondContact O-CB 3.47Å; G326-S330 PolarHBondContact O-N 2.94Å; G326-S330 PolarHBondContact O-OG 3.44Å
331S61.9Low75.9Confident28 Ų2853.4 Ų53.420%0.19633%0.334CS..THydrogen-bonded Turntrans-92.2-9.7-17472.70000115.3H327 S328 V329 H333H327-S331 PolarHBondContact O-OG 3.2Å; S328-S331 PolarHBondContact O-N 3.17Å; S328-S331 PolarHBondContact O-OG 3.45Å; V329-S331 PolarHBondContact O-N 3.49Å; V329-S331 VanDerWaalsContact O-N 3.17Å; S331-H333 PolarHBondContact O-N 2.93Å
332Q59.9Low75.9Confident85 Ų8550.8 Ų50.840%0.39732%0.321SS..THydrogen-bonded Turntrans-729.5-173.7-63-165.1-6.500114.4I10 S328 V329I10-Q332 HydrophobicContact CG2-CB 4.19Å; S328-Q332 WeakPolarHBondContact O-CG 3.29Å; V329-Q332 PolarHBondContact O-N 2.85Å
333H52.7Low75.9Confident122 Ų12249.9 Ų49.957%0.56532%0.317SS*.THydrogen-bonded Turntrans-94.4-3.6-175.2-68.817.5000114.2L14 S331L14-H333 WeakPolarHBondContact CD1-CE1 3.42Å; L14-H333 WeakPolarHBondContact CD1-NE2 3.31Å; S331-H333 PolarHBondContact O-N 2.93Å
334G51.2Low76Confident39 Ų3946.1 Ų46.140%0.40230%0.3SS..SBendtrans-109.1101.3-17600000113.4G336 S337G334-G336 PolarHBondContact O-N 2.83Å; G334-S337 PolarHBondContact O-N 2.93Å; G334-S337 PolarHBondContact O-OG 2.84Å
335D46.8Very low76.1Confident178 Ų17846.2 Ų46.295%0.95230%0.3SS*.THydrogen-bonded Turntrans-55.9118.7173-163.99.1000110.5
336G56Low76.4Confident80 Ų8046.3 Ų46.383%0.82530%0.299SS*.THydrogen-bonded Turntrans83.15.3176.600000118G334G334-G336 PolarHBondContact O-N 2.83Å
337S61.1Low76.9Confident76 Ų7647 Ų4753%0.53130%0.302SS..PPolyproline II helixtrans-80.8147.517674.80000112.6G334G334-S337 PolarHBondContact O-N 2.93Å; G334-S337 PolarHBondContact O-OG 2.84Å
338A71.9Confident77.1Confident66 Ų6647.1 Ų47.155%0.54530%0.302SS..PPolyproline II helixtrans-62.7143.8176.600000110.2V340A338-V340 PolarHBondContact O-N 3.31Å
339P79.9Confident77.6Confident97 Ų9748.2 Ų48.263%0.6331%0.309SS*.PPolyproline II helixtrans-60134.6-176.321.2-30000110.6R277R277-P339 PolarHBondContact NH2-O 3.23Å
340V87.4Confident78.2Confident20 Ų2054.8 Ų54.812%0.12134%0.338CS..PPolyproline II helixtrans-67.8135.5177.7173.50000109.7H327 A338 A359 S360 D361H327-V340 HydrophobicContact CB-CG1 4.42Å; A338-V340 PolarHBondContact O-N 3.31Å; V340-A359 HydrophobicContact CG1-CB 3.61Å; V340-S360 WeakPolarHBondContact CA-OG 3.36Å; V340-D361 HydrophobicContact CG1-CB 4.42Å; V340-D361 HydrophobicContact CG2-CB 3.84Å
341F89.1Confident79.4Confident38 Ų3854 Ų5417%0.16733%0.327CS..  trans-129.3149.4177.761.7-83.7000110.2R277 T343 A359 S360R277-F341 VanDerWaalsContact CZ-CD1 3.49Å; F341-T343 HydrophobicContact CD2-CG2 4.29Å; F341-T343 HydrophobicContact CE2-CG2 3.89Å; F341-T343 PolarHBondContact O-N 2.84Å; F341-A359 CarbonylContact O-C 3.54Å; F341-A359 VanDerWaalsContact O-CA 3.26Å; F341-A359 WeakPolarHBondContact O-CA 3.36Å; F341-A359 WeakPolarHBondContact O-CB 3.4Å; F341-S360 WeakPolarHBondContact CD1-OG 3.49Å; F341-S360 WeakPolarHBondContact CE1-OG 3.49Å; F341-S360 PolarHBondContact N-OG 3.48Å; F341-S360 PolarHBondContact O-N 3.28Å
342I93.9Very high80.8Confident1 Ų154.9 Ų54.91%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-69.8127.6174.4-51.3-55.2000108.4G301 V303 H327 T344 A358 A359G301-I342 WeakPolarHBondContact O-CG1 3.16Å; V303-I342 HydrophobicContact CG2-CD1 4.38Å; V303-I342 HydrophobicContact CG2-CG1 4.18Å; V303-I342 HydrophobicContact CG2-CG2 4.05Å; H327-I342 HydrophobicContact CB-CD1 3.66Å; H327-I342 WeakPolarHBondContact CD2-CD1 3.33Å; I342-T344 WeakPolarHBondContact CG2-O 3.3Å; I342-A358 WeakPolarHBondContact CA-O 3.25Å; I342-A358 WeakPolarHBondContact CG2-O 3.31Å; I342-A359 HydrophobicContact CD1-CB 4.34Å
343T94.4Very high82.5Confident1 Ų154.1 Ų54.11%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-93.1-32.9178.151.60000111.5T37 Q38 F341 A358T37-T343 VanDerWaalsContact O-CB 3.26Å; T37-T343 WeakPolarHBondContact O-CB 3.48Å; T37-T343 PolarHBondContact O-OG1 3.41Å; Q38-T343 HydrophobicContact CG-CG2 4.18Å; F341-T343 HydrophobicContact CD2-CG2 4.29Å; F341-T343 HydrophobicContact CE2-CG2 3.89Å; F341-T343 PolarHBondContact O-N 2.84Å; T343-A358 PolarHBondContact N-O 3.48Å; T343-A358 VanDerWaalsContact OG1-C 3.3Å; T343-A358 PolarHBondContact OG1-O 3.32Å; T343-A358 VanDerWaalsContact OG1-O 3.09Å
344T96.2Very high84.5Confident14 Ų1448.3 Ų48.39%0.08630%0.298CS..EExtended strand (participates in β ladder)trans-166163177.3-171.60000111.5Q38 I40 I342 S357 A358Q38-T344 WeakPolarHBondContact O-CB 3.47Å; Q38-T344 WeakPolarHBondContact O-CG2 3.46Å; I40-T344 HydrophobicContact CD1-CG2 4.05Å; I40-T344 HydrophobicContact CG1-CG2 3.8Å; I342-T344 WeakPolarHBondContact CG2-O 3.3Å; T344-S357 WeakPolarHBondContact O-CA 3.16Å; T344-A358 HydrophobicContact CG2-CB 4.1Å; T344-A358 PolarHBondContact O-N 2.87Å
345H97.8Very high86.7Confident2 Ų246.4 Ų46.41%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-147.9156.5165.470.9-85.5000111T283 S295 S297 V303 L356T283-H345 VanDerWaalsContact CG2-CE1 3.5Å; T283-H345 WeakPolarHBondContact CG2-CE1 3.44Å; T283-H345 PolarHBondContact O-CE1 3.45Å; S295-H345 VanDerWaalsContact CB-NE2 3.34Å; S295-H345 WeakPolarHBondContact CB-NE2 3.4Å; S295-H345 PolarHBondContact OG-CD2 3Å; S295-H345 VanDerWaalsContact OG-CD2 3.28Å; S295-H345 PolarHBondContact OG-NE2 3.49Å; S297-H345 VanDerWaalsContact CB-ND1 3.29Å; S297-H345 WeakPolarHBondContact CB-ND1 3.46Å; S297-H345 PolarHBondContact OG-CE1 3.17Å; S297-H345 PolarHBondContact OG-ND1 2.8Å; V303-H345 HydrophobicContact CG1-CB 4.29Å; V303-H345 HydrophobicContact CG2-CB 4.26Å; H345-L356 CarbonylContact C-O 3.54Å; H345-L356 WeakPolarHBondContact CA-O 3.3Å; H345-L356 VanDerWaalsContact CB-O 3.27Å; H345-L356 WeakPolarHBondContact CB-O 3.42Å
346V97.8Very high89.1Confident23 Ų2338 Ų3814%0.13923%0.233CC..EExtended strand (participates in β ladder)trans-138.8144.7173.4-55.70000111.8I40 W42 L355 L356I40-V346 HydrophobicContact CB-CG1 4.06Å; I40-V346 HydrophobicContact CB-CG2 4.09Å; I40-V346 HydrophobicContact CG2-CG1 4.45Å; I40-V346 HydrophobicContact CG2-CG2 3.62Å; I40-V346 WeakPolarHBondContact O-CG1 3.32Å; W42-V346 HydrophobicContact CZ2-CG2 4.12Å; V346-L355 CarbonylContact O-C 3.54Å; V346-L355 VanDerWaalsContact O-CA 3.25Å; V346-L355 WeakPolarHBondContact O-CA 3.3Å; V346-L355 WeakPolarHBondContact O-CB 3.12Å; V346-L356 HydrophobicContact CG2-CB 4.09Å; V346-L356 PolarHBondContact N-O 2.97Å; V346-L356 PolarHBondContact O-N 3.32Å
347W97.6Very high91.1Very high15 Ų1534.1 Ų34.16%0.05719%0.194CC..EExtended strand (participates in β ladder)trans-74.2142.9169.4-70.285.3000111W42 A285 A287 P288 L290 S295 I305 P352 L355 W369W42-W347 PolarHBondContact NE1-O 2.93Å; A285-W347 PolarHBondContact O-NE1 2.91Å; A287-W347 HydrophobicContact CB-CD2 3.85Å; A287-W347 HydrophobicContact CB-CE3 3.64Å; A287-W347 HydrophobicContact CB-CH2 3.53Å; A287-W347 HydrophobicContact CB-CZ2 3.76Å; A287-W347 HydrophobicContact CB-CZ3 3.37Å; P288-W347 HydrophobicContact CG-CB 3.93Å; L290-W347 HydrophobicContact CD1-CH2 4.48Å; L290-W347 HydrophobicContact CD1-CZ3 4.12Å; S295-W347 PolarHBondContact OG-NE1 2.98Å; I305-W347 HydrophobicContact CD1-CH2 4.35Å; I305-W347 HydrophobicContact CG1-CH2 4.41Å; I305-W347 HydrophobicContact CG1-CZ2 4.35Å; I305-W347 HydrophobicContact CG2-CH2 4.15Å; I305-W347 HydrophobicContact CG2-CZ2 4.4Å; W347-P352 VanDerWaalsContact CZ3-O 3.28Å; W347-P352 WeakPolarHBondContact CZ3-O 3.34Å; W347-L355 HydrophobicContact CD2-CD1 4.48Å; W347-L355 HydrophobicContact CD2-CD2 3.79Å; W347-L355 HydrophobicContact CD2-CG 4.02Å; W347-L355 HydrophobicContact CE3-CD1 4.32Å; W347-L355 HydrophobicContact CE3-CD2 4.4Å; W347-L355 HydrophobicContact CE3-CG 4.18Å; W347-L355 HydrophobicContact CG-CD2 3.99Å; W347-L355 HydrophobicContact CG-CG 4.38Å; W347-L355 HydrophobicContact CH2-CD1 4.35Å; W347-L355 HydrophobicContact CZ2-CD1 4.49Å; W347-L355 HydrophobicContact CZ2-CD2 4.16Å; W347-L355 HydrophobicContact CZ3-CD1 4.34Å; W347-W369 HydrophobicContact CE3-CH2 4.39Å; W347-W369 AromaticContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CH2 3.49Å; W347-W369 VanDerWaalsContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CZ2 4.2Å; W347-W369 HydrophobicContact CH2-CZ3 4.34Å; W347-W369 AromaticContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CZ2 4.33Å; W347-W369 HydrophobicContact CZ3-CZ3 4.11Å
348H96.1Very high92.8Very high3 Ų330.6 Ų30.61%0.01417%0.169CC..  trans-65.9133.7166.8-170-68.1000110.3W42 G45 P288 E350 R351 T354W42-H348 HydrophobicContact CH2-CB 4.23Å; W42-H348 AromaticContact CH2-CD2 3.41Å; W42-H348 VanDerWaalsContact CH2-CD2 3.41Å; W42-H348 WeakPolarHBondContact CH2-CD2 3.44Å; W42-H348 AromaticContact CH2-CG 3.95Å; W42-H348 VanDerWaalsContact CZ2-CA 3.44Å; W42-H348 HydrophobicContact CZ2-CB 3.94Å; G45-H348 PolarHBondContact O-NE2 2.89Å; G45-H348 VanDerWaalsContact O-NE2 3.12Å; P288-H348 WeakPolarHBondContact CG-O 3.36Å; H348-E350 VanDerWaalsContact C-N 3.31Å; H348-E350 PolarHBondContact ND1-N 2.92Å; H348-E350 PolarHBondContact O-N 3.2Å; H348-R351 HydrophobicContact CB-CB 3.97Å; H348-R351 PolarHBondContact ND1-N 3.4Å; H348-R351 VanDerWaalsContact ND1-N 3.11Å; H348-T354 HydrophobicContact CB-CG2 4.07Å; H348-T354 VanDerWaalsContact CB-O 3.32Å; H348-T354 WeakPolarHBondContact CB-O 3.23Å; H348-T354 PolarHBondContact N-O 3.15Å
349P93Very high93.9Very high53 Ų5327.4 Ų27.434%0.34414%0.143SC..SBendtrans-62-36.9-173.721.9-34000113.3W42W42-P349 HydrophobicContact CD2-CG 4.36Å
350E90.3Very high94.4Very high150 Ų15024.2 Ų24.270%0.70112%0.123SC*.SBendtrans-111.5-13.6-173.7-60176178.600114.8H348H348-E350 VanDerWaalsContact C-N 3.31Å; H348-E350 PolarHBondContact ND1-N 2.92Å; H348-E350 PolarHBondContact O-N 3.2Å
351R92.1Very high94.6Very high44 Ų4425.9 Ų25.917%0.16613%0.131CC..  trans-109.3106.9-172.8-66.3178.265.593.81.1108.5H348 R353 T354 D368H348-R351 HydrophobicContact CB-CB 3.97Å; H348-R351 PolarHBondContact ND1-N 3.4Å; H348-R351 VanDerWaalsContact ND1-N 3.11Å; R351-R353 PolarHBondContact O-N 3.2Å; R351-R353 VanDerWaalsContact O-N 3.08Å; R351-T354 VanDerWaalsContact CB-OG1 3.3Å; R351-T354 WeakPolarHBondContact CB-OG1 3.41Å; R351-T354 PolarHBondContact NE-OG1 3.02Å; R351-T354 PolarHBondContact O-N 2.65Å; R351-T354 VanDerWaalsContact O-N 3.15Å; R351-D368 IonicContact CZ-OD2 3.86Å; R351-D368 IonicContact NE-OD2 3.79Å; R351-D368 IonicContact NH2-OD2 3.35Å; R351-D368 PolarHBondContact NH2-OD2 3.04Å
352P92.3Very high94.8Very high45 Ų4524.1 Ų24.129%0.29212%0.124SC..THydrogen-bonded Turntrans-61.9-28.5-164.921.3-32.9000113.6A289 L290 W347A289-P352 HydrophobicContact CB-CB 3.9Å; L290-P352 HydrophobicContact CD1-CB 4.42Å; L290-P352 WeakPolarHBondContact CD1-O 3.26Å; L290-P352 HydrophobicContact CD2-CB 3.62Å; L290-P352 HydrophobicContact CG-CB 3.67Å; L290-P352 WeakPolarHBondContact CG-O 3.25Å; W347-P352 VanDerWaalsContact CZ3-O 3.28Å; W347-P352 WeakPolarHBondContact CZ3-O 3.34Å
353R94.2Very high94.8Very high69 Ų6924.3 Ų24.326%0.2613%0.125SC..THydrogen-bonded Turntrans-11323.8-178.5-65.4-176-169.678.6-3.8113.9L290 R351 D368 W369 D371L290-R353 HydrophobicContact CD1-CG 3.95Å; R351-R353 PolarHBondContact O-N 3.2Å; R351-R353 VanDerWaalsContact O-N 3.08Å; R353-D368 WeakPolarHBondContact O-CA 3.5Å; R353-W369 HydrophobicContact CB-CD2 4.01Å; R353-W369 HydrophobicContact CB-CE3 3.92Å; R353-W369 HydrophobicContact CB-CH2 3.86Å; R353-W369 HydrophobicContact CB-CZ2 3.99Å; R353-W369 HydrophobicContact CB-CZ3 3.81Å; R353-W369 WeakPolarHBondContact CD-O 3.3Å; R353-W369 HydrophobicContact CG-CD2 4.37Å; R353-W369 HydrophobicContact CG-CH2 3.98Å; R353-W369 HydrophobicContact CG-CZ2 3.69Å; R353-W369 HydrophobicContact CG-CZ3 4.42Å; R353-W369 WeakPolarHBondContact O-CZ3 3.48Å; R353-W369 PolarHBondContact O-N 3.37Å; R353-D371 IonicContact CZ-OD2 3.65Å; R353-D371 IonicContact NE-OD2 3.7Å; R353-D371 IonicContact NH2-OD2 2.67Å; R353-D371 PolarHBondContact NH2-OD2 3.25Å
354T95.1Very high94.9Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-113.2131.6178.5-50.90000110.4L69 H348 R351 V366 W367 D368L69-T354 HydrophobicContact CD2-CG2 4.33Å; H348-T354 HydrophobicContact CB-CG2 4.07Å; H348-T354 VanDerWaalsContact CB-O 3.32Å; H348-T354 WeakPolarHBondContact CB-O 3.23Å; H348-T354 PolarHBondContact N-O 3.15Å; R351-T354 VanDerWaalsContact CB-OG1 3.3Å; R351-T354 WeakPolarHBondContact CB-OG1 3.41Å; R351-T354 PolarHBondContact NE-OG1 3.02Å; R351-T354 PolarHBondContact O-N 2.65Å; R351-T354 VanDerWaalsContact O-N 3.15Å; T354-V366 HydrophobicContact CG2-CG2 3.88Å; T354-W367 VanDerWaalsContact CA-O 3.29Å; T354-W367 WeakPolarHBondContact CA-O 3.22Å; T354-D368 PolarHBondContact OG1-OD2 3.41Å
355L97.5Very high94.8Very high0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-126.7159.9168.3-64.4104.4000111.3I305 V346 W347 V366 W367 W369I305-L355 HydrophobicContact CD1-CD1 3.82Å; V346-L355 CarbonylContact O-C 3.54Å; V346-L355 VanDerWaalsContact O-CA 3.25Å; V346-L355 WeakPolarHBondContact O-CA 3.3Å; V346-L355 WeakPolarHBondContact O-CB 3.12Å; W347-L355 HydrophobicContact CD2-CD1 4.48Å; W347-L355 HydrophobicContact CD2-CD2 3.79Å; W347-L355 HydrophobicContact CD2-CG 4.02Å; W347-L355 HydrophobicContact CE3-CD1 4.32Å; W347-L355 HydrophobicContact CE3-CD2 4.4Å; W347-L355 HydrophobicContact CE3-CG 4.18Å; W347-L355 HydrophobicContact CG-CD2 3.99Å; W347-L355 HydrophobicContact CG-CG 4.38Å; W347-L355 HydrophobicContact CH2-CD1 4.35Å; W347-L355 HydrophobicContact CZ2-CD1 4.49Å; W347-L355 HydrophobicContact CZ2-CD2 4.16Å; W347-L355 HydrophobicContact CZ3-CD1 4.34Å; L355-V366 WeakPolarHBondContact O-CA 3.45Å; L355-W367 HydrophobicContact CB-CD2 4.45Å; L355-W367 HydrophobicContact CB-CH2 4.42Å; L355-W367 HydrophobicContact CB-CZ2 3.88Å; L355-W367 HydrophobicContact CD1-CE3 4.33Å; L355-W367 HydrophobicContact CD1-CH2 3.44Å; L355-W367 VanDerWaalsContact CD1-CH2 3.44Å; L355-W367 HydrophobicContact CD1-CZ2 3.76Å; L355-W367 HydrophobicContact CD1-CZ3 3.74Å; L355-W367 HydrophobicContact CG-CH2 4.43Å; L355-W367 HydrophobicContact CG-CZ2 4.29Å; L355-W367 PolarHBondContact N-O 3.01Å; L355-W367 PolarHBondContact O-N 3.28Å; L355-W369 HydrophobicContact CD1-CE3 3.83Å; L355-W369 HydrophobicContact CD1-CH2 3.89Å; L355-W369 HydrophobicContact CD1-CZ3 3.13Å; L355-W369 HydrophobicContact CG-CZ3 4.41Å
356L97.9Very high94.7Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-109.4144.6158.5-79.577.1000109.7I40 W42 V48 L65 F83 H345 V346 H365 V366I40-L356 HydrophobicContact CD1-CB 3.9Å; I40-L356 HydrophobicContact CG2-CB 4.26Å; I40-L356 HydrophobicContact CG2-CD2 4.01Å; W42-L356 HydrophobicContact CH2-CD1 3.4Å; W42-L356 VanDerWaalsContact CH2-CD1 3.4Å; W42-L356 HydrophobicContact CZ2-CD1 3.47Å; W42-L356 VanDerWaalsContact CZ2-CD1 3.47Å; V48-L356 HydrophobicContact CG1-CD2 4.04Å; V48-L356 HydrophobicContact CG2-CD2 3.9Å; L65-L356 HydrophobicContact CD2-CD1 4.1Å; L65-L356 HydrophobicContact CD2-CD2 3.75Å; L65-L356 HydrophobicContact CD2-CG 4.39Å; F83-L356 HydrophobicContact CE1-CD2 4.05Å; F83-L356 HydrophobicContact CZ-CD2 4.4Å; H345-L356 CarbonylContact C-O 3.54Å; H345-L356 WeakPolarHBondContact CA-O 3.3Å; H345-L356 VanDerWaalsContact CB-O 3.27Å; H345-L356 WeakPolarHBondContact CB-O 3.42Å; V346-L356 HydrophobicContact CG2-CB 4.09Å; V346-L356 PolarHBondContact N-O 2.97Å; V346-L356 PolarHBondContact O-N 3.32Å; L356-H365 CarbonylContact C-O 3.54Å; L356-H365 WeakPolarHBondContact CA-O 3.5Å; L356-V366 HydrophobicContact CD1-CB 4.11Å; L356-V366 HydrophobicContact CD1-CG2 3.64Å; L356-V366 HydrophobicContact CG-CB 3.91Å; L356-V366 HydrophobicContact CG-CG2 4.02Å
357S97.8Very high94.6Very high0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-139.7146.917351.60000111H327 T344 V364 H365 W367H327-S357 PolarHBondContact CE1-O 3.35Å; H327-S357 WeakPolarHBondContact NE2-CB 3.49Å; H327-S357 PolarHBondContact NE2-O 2.99Å; H327-S357 PolarHBondContact NE2-OG 3.02Å; T344-S357 WeakPolarHBondContact O-CA 3.16Å; S357-V364 CarbonylContact O-C 3.59Å; S357-V364 WeakPolarHBondContact O-CA 3.42Å; S357-H365 PolarHBondContact N-O 2.78Å; S357-H365 PolarHBondContact O-N 2.95Å; S357-W367 PolarHBondContact OG-NE1 3.44Å; S357-W367 VanDerWaalsContact OG-NE1 3.11Å
358A96.4Very high94.4Very high1 Ų122.3 Ų22.31%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-125.1154.7175.500000110.7T37 I40 I342 T343 T344 S363 V364T37-A358 HydrophobicContact CG2-CB 3.59Å; I40-A358 HydrophobicContact CD1-CB 4.01Å; I40-A358 HydrophobicContact CG1-CB 4.48Å; I342-A358 WeakPolarHBondContact CA-O 3.25Å; I342-A358 WeakPolarHBondContact CG2-O 3.31Å; T343-A358 PolarHBondContact N-O 3.48Å; T343-A358 VanDerWaalsContact OG1-C 3.3Å; T343-A358 PolarHBondContact OG1-O 3.32Å; T343-A358 VanDerWaalsContact OG1-O 3.09Å; T344-A358 HydrophobicContact CG2-CB 4.1Å; T344-A358 PolarHBondContact O-N 2.87Å; A358-S363 VanDerWaalsContact CA-O 3.3Å; A358-S363 WeakPolarHBondContact CA-O 3.3Å; A358-V364 HydrophobicContact CB-CG2 4.16Å
359A94.6Very high94.2Very high0 Ų022.2 Ų22.20%011%0.114CC..EExtended strand (participates in β ladder)trans-133.7169.5179.600000113.3H327 V340 F341 I342 D361 G362 S363H327-A359 HydrophobicContact CB-CB 3.93Å; H327-A359 WeakPolarHBondContact ND1-CB 3.23Å; V340-A359 HydrophobicContact CG1-CB 3.61Å; F341-A359 CarbonylContact O-C 3.54Å; F341-A359 VanDerWaalsContact O-CA 3.26Å; F341-A359 WeakPolarHBondContact O-CA 3.36Å; F341-A359 WeakPolarHBondContact O-CB 3.4Å; I342-A359 HydrophobicContact CD1-CB 4.34Å; A359-D361 PolarHBondContact O-N 2.77Å; A359-G362 PolarHBondContact O-N 3.34Å; A359-S363 PolarHBondContact N-O 3.48Å
360S92.1Very high94.1Very high30 Ų3021.4 Ų21.421%0.2111%0.108CC..THydrogen-bonded Turntrans-66.1-16-173.561.50000115.2V340 F341 G362V340-S360 WeakPolarHBondContact CA-OG 3.36Å; F341-S360 WeakPolarHBondContact CD1-OG 3.49Å; F341-S360 WeakPolarHBondContact CE1-OG 3.49Å; F341-S360 PolarHBondContact N-OG 3.48Å; F341-S360 PolarHBondContact O-N 3.28Å; S360-G362 VanDerWaalsContact C-N 3.31Å
361D91Very high93.6Very high55 Ų5515.6 Ų15.629%0.2948%0.082SC..THydrogen-bonded Turntrans-86.6-1.1173.862.3-3.4000113Q32 V340 A359 S363Q32-D361 PolarHBondContact NE2-O 2.89Å; V340-D361 HydrophobicContact CG1-CB 4.42Å; V340-D361 HydrophobicContact CG2-CB 3.84Å; A359-D361 PolarHBondContact O-N 2.77Å; D361-S363 VanDerWaalsContact C-N 3.35Å; D361-S363 VanDerWaalsContact OD1-CB 3.31Å; D361-S363 WeakPolarHBondContact OD1-CB 3.23Å; D361-S363 PolarHBondContact OD1-N 3.32Å; D361-S363 PolarHBondContact OD1-OG 3.21Å; D361-S363 PolarHBondContact OD2-OG 3.32Å
362G92.5Very high92.6Very high1 Ų116.8 Ų16.81%0.0110%0.095CC..SBendtrans85.13.8-177.800000114.8Q32 L33 A359 S360Q32-G362 PolarHBondContact NE2-O 2.86Å; L33-G362 WeakPolarHBondContact CB-O 3.08Å; L33-G362 PolarHBondContact N-O 2.94Å; A359-G362 PolarHBondContact O-N 3.34Å; S360-G362 VanDerWaalsContact C-N 3.31Å
363S94.1Very high91.4Very high4 Ų422.2 Ų22.23%0.02812%0.116CC..EExtended strand (participates in β ladder)trans-68.8135.7171.361.70000110.8Y31 H327 A358 A359 D361Y31-S363 CarbonylContact O-C 3.55Å; Y31-S363 WeakPolarHBondContact O-CA 3.44Å; H327-S363 PolarHBondContact CE1-O 3.34Å; H327-S363 PolarHBondContact ND1-OG 3.17Å; A358-S363 VanDerWaalsContact CA-O 3.3Å; A358-S363 WeakPolarHBondContact CA-O 3.3Å; A359-S363 PolarHBondContact N-O 3.48Å; D361-S363 VanDerWaalsContact C-N 3.35Å; D361-S363 VanDerWaalsContact OD1-CB 3.31Å; D361-S363 WeakPolarHBondContact OD1-CB 3.23Å; D361-S363 PolarHBondContact OD1-N 3.32Å; D361-S363 PolarHBondContact OD1-OG 3.21Å; D361-S363 PolarHBondContact OD2-OG 3.32Å
364V95.9Very high89.8Confident1 Ų123.7 Ų23.71%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-124.7121.1174179.50000108Y31 L33 T37 F83 S357 A358Y31-V364 PolarHBondContact N-O 3.48Å; Y31-V364 PolarHBondContact O-N 3.33Å; L33-V364 HydrophobicContact CD1-CG2 3.44Å; L33-V364 VanDerWaalsContact CD1-CG2 3.44Å; L33-V364 HydrophobicContact CG-CG2 3.78Å; T37-V364 HydrophobicContact CG2-CG2 4.5Å; F83-V364 HydrophobicContact CE1-CG1 4.45Å; F83-V364 HydrophobicContact CZ-CG1 4.22Å; S357-V364 CarbonylContact O-C 3.59Å; S357-V364 WeakPolarHBondContact O-CA 3.42Å; A358-V364 HydrophobicContact CB-CG2 4.16Å
365H95.4Very high87.4Confident1 Ų132.2 Ų32.21%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-108.9138.6179.1-61.7173.7000109.6H29 V30 H324 G326 H327 L356 S357H29-H365 CarbonylContact O-C 3.53Å; H29-H365 VanDerWaalsContact O-CA 3.3Å; H29-H365 WeakPolarHBondContact O-CA 3.48Å; V30-H365 WeakPolarHBondContact CG1-NE2 3.37Å; H324-H365 AromaticContact CE1-ND1 3.54Å; H324-H365 AromaticContact NE2-CE1 3.98Å; H324-H365 AromaticContact NE2-CG 3.88Å; H324-H365 AromaticContact NE2-ND1 2.97Å; H324-H365 PolarHBondContact NE2-ND1 3.1Å; G326-H365 VanDerWaalsContact C-CE1 3.44Å; H327-H365 AromaticContact CD2-CE1 3.93Å; H327-H365 AromaticContact CD2-ND1 3.54Å; H327-H365 AromaticContact CE1-CD2 3.61Å; H327-H365 AromaticContact CE1-CE1 3.6Å; H327-H365 AromaticContact CE1-CG 3.39Å; H327-H365 AromaticContact CE1-ND1 3.38Å; H327-H365 PolarHBondContact CE1-ND1 3.1Å; H327-H365 AromaticContact CE1-NE2 3.75Å; H327-H365 AromaticContact CG-CE1 3.62Å; H327-H365 AromaticContact CG-ND1 3.72Å; H327-H365 PolarHBondContact N-CE1 2.86Å; H327-H365 AromaticContact ND1-CD2 3.98Å; H327-H365 AromaticContact ND1-CE1 3.38Å; H327-H365 PolarHBondContact ND1-CE1 3.5Å; H327-H365 AromaticContact ND1-CG 3.98Å; H327-H365 AromaticContact ND1-ND1 3.6Å; H327-H365 AromaticContact ND1-NE2 3.63Å; H327-H365 AromaticContact NE2-CE1 3.94Å; H327-H365 AromaticContact NE2-CG 3.54Å; H327-H365 AromaticContact NE2-ND1 3.34Å; H327-H365 PolarHBondContact NE2-ND1 2.82Å; L356-H365 CarbonylContact C-O 3.54Å; L356-H365 WeakPolarHBondContact CA-O 3.5Å; S357-H365 PolarHBondContact N-O 2.78Å; S357-H365 PolarHBondContact O-N 2.95Å
366V95.9Very high86.9Confident0 Ų033.9 Ų33.90%019%0.188CC..EExtended strand (participates in β ladder)trans-114.7127.815860.40000108.3H29 P66 L69 F83 T354 L355 L356H29-V366 HydrophobicContact CB-CG1 3.64Å; H29-V366 PolarHBondContact N-O 3.3Å; H29-V366 PolarHBondContact O-N 3.13Å; P66-V366 HydrophobicContact CG-CG1 4.19Å; L69-V366 HydrophobicContact CD2-CB 4.44Å; L69-V366 HydrophobicContact CD2-CG1 4.14Å; L69-V366 HydrophobicContact CD2-CG2 3.41Å; L69-V366 VanDerWaalsContact CD2-CG2 3.41Å; F83-V366 HydrophobicContact CE2-CB 4.44Å; F83-V366 HydrophobicContact CE2-CG1 3.74Å; F83-V366 HydrophobicContact CZ-CB 3.82Å; F83-V366 HydrophobicContact CZ-CG1 3.55Å; T354-V366 HydrophobicContact CG2-CG2 3.88Å; L355-V366 WeakPolarHBondContact O-CA 3.45Å; L356-V366 HydrophobicContact CD1-CB 4.11Å; L356-V366 HydrophobicContact CD1-CG2 3.64Å; L356-V366 HydrophobicContact CG-CB 3.91Å; L356-V366 HydrophobicContact CG-CG2 4.02Å
367W94.8Very high86.3Confident0 Ų035.6 Ų35.60%020%0.198CC..EExtended strand (participates in β ladder)trans-143.3143.9-171.452.2-84.7000111.8Y25 D27 L28 V303 I305 F322 H324 T354 L355 S357 W369Y25-W367 HydrophobicContact CD1-CB 3.97Å; Y25-W367 HydrophobicContact CD1-CE3 4.31Å; Y25-W367 HydrophobicContact CE1-CB 4.02Å; Y25-W367 HydrophobicContact CE1-CD2 4.19Å; Y25-W367 AromaticContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CE3 3.83Å; Y25-W367 HydrophobicContact CE1-CG 4.32Å; D27-W367 CarbonylContact O-C 3.57Å; D27-W367 VanDerWaalsContact O-CA 3.29Å; D27-W367 WeakPolarHBondContact O-CA 3.35Å; L28-W367 HydrophobicContact CD1-CB 3.74Å; V303-W367 HydrophobicContact CB-CZ2 3.97Å; V303-W367 HydrophobicContact CG1-CH2 4.36Å; V303-W367 HydrophobicContact CG1-CZ2 3.9Å; I305-W367 HydrophobicContact CD1-CH2 3.69Å; I305-W367 HydrophobicContact CD1-CZ3 3.86Å; I305-W367 HydrophobicContact CG1-CH2 4.39Å; F322-W367 HydrophobicContact CD1-CH2 4.05Å; F322-W367 AromaticContact CD1-CZ3 3.62Å; F322-W367 HydrophobicContact CD1-CZ3 3.62Å; F322-W367 AromaticContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CE3 3.96Å; F322-W367 HydrophobicContact CE1-CH2 4.03Å; F322-W367 AromaticContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CE1-CZ3 3.38Å; F322-W367 HydrophobicContact CZ-CZ3 4.41Å; H324-W367 HydrophobicContact CB-CD2 4.34Å; H324-W367 HydrophobicContact CB-CH2 3.77Å; H324-W367 HydrophobicContact CB-CZ2 3.56Å; H324-W367 HydrophobicContact CB-CZ3 4.27Å; H324-W367 AromaticContact CD2-NE1 3.78Å; H324-W367 AromaticContact CG-CE2 3.74Å; H324-W367 AromaticContact CG-CZ2 3.97Å; H324-W367 AromaticContact CG-NE1 3.87Å; T354-W367 VanDerWaalsContact CA-O 3.29Å; T354-W367 WeakPolarHBondContact CA-O 3.22Å; L355-W367 HydrophobicContact CB-CD2 4.45Å; L355-W367 HydrophobicContact CB-CH2 4.42Å; L355-W367 HydrophobicContact CB-CZ2 3.88Å; L355-W367 HydrophobicContact CD1-CE3 4.33Å; L355-W367 HydrophobicContact CD1-CH2 3.44Å; L355-W367 VanDerWaalsContact CD1-CH2 3.44Å; L355-W367 HydrophobicContact CD1-CZ2 3.76Å; L355-W367 HydrophobicContact CD1-CZ3 3.74Å; L355-W367 HydrophobicContact CG-CH2 4.43Å; L355-W367 HydrophobicContact CG-CZ2 4.29Å; L355-W367 PolarHBondContact N-O 3.01Å; L355-W367 PolarHBondContact O-N 3.28Å; S357-W367 PolarHBondContact OG-NE1 3.44Å; S357-W367 VanDerWaalsContact OG-NE1 3.11Å; W367-W369 HydrophobicContact CE3-CB 4.37Å; W367-W369 AromaticContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CH2-CE3 4.41Å; W367-W369 HydrophobicContact CZ3-CB 4.32Å; W367-W369 HydrophobicContact CZ3-CD2 4.09Å; W367-W369 AromaticContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CE3 3.46Å; W367-W369 VanDerWaalsContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CG 4.46Å; W367-W369 HydrophobicContact CZ3-CZ3 4.17Å
368D92.7Very high85.6Confident11 Ų1137.6 Ų37.66%0.05921%0.209CC..EExtended strand (participates in β ladder)trans-122.9117.2177.6-167.3-55.6000107.6Y25 K26 D27 R351 R353 T354Y25-D368 CarbonylContact C-O 3.57Å; Y25-D368 WeakPolarHBondContact CA-O 3.38Å; K26-D368 HydrophobicContact CB-CB 4.27Å; K26-D368 PolarHBondContact N-O 3.08Å; D27-D368 HydrophobicContact CB-CB 4.04Å; D27-D368 PolarHBondContact N-O 2.81Å; D27-D368 PolarHBondContact O-N 3.1Å; R351-D368 IonicContact CZ-OD2 3.86Å; R351-D368 IonicContact NE-OD2 3.79Å; R351-D368 IonicContact NH2-OD2 3.35Å; R351-D368 PolarHBondContact NH2-OD2 3.04Å; R353-D368 WeakPolarHBondContact O-CA 3.5Å; T354-D368 PolarHBondContact OG1-OD2 3.41Å
369W93.6Very high85Confident2 Ų239.8 Ų39.81%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-99151-175.778.396.9000112.5S24 L290 I305 F322 W347 R353 L355 W367S24-W369 WeakPolarHBondContact O-CA 3.46Å; L290-W369 HydrophobicContact CD1-CH2 4.09Å; L290-W369 HydrophobicContact CD1-CZ2 3.86Å; I305-W369 HydrophobicContact CD1-CD2 3.82Å; I305-W369 HydrophobicContact CD1-CE3 3.74Å; I305-W369 HydrophobicContact CD1-CH2 3.5Å; I305-W369 HydrophobicContact CD1-CZ2 3.57Å; I305-W369 HydrophobicContact CD1-CZ3 3.62Å; I305-W369 HydrophobicContact CG2-CZ2 4.42Å; F322-W369 HydrophobicContact CB-CG 4.49Å; F322-W369 HydrophobicContact CD1-CB 4.16Å; F322-W369 HydrophobicContact CD1-CG 4.1Å; F322-W369 HydrophobicContact CD2-CB 3.87Å; F322-W369 AromaticContact CD2-CD1 3.64Å; F322-W369 AromaticContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CD2-CG 3.88Å; F322-W369 HydrophobicContact CE1-CB 3.87Å; F322-W369 HydrophobicContact CE1-CG 4.31Å; F322-W369 HydrophobicContact CE2-CB 3.54Å; F322-W369 HydrophobicContact CE2-CG 4.09Å; F322-W369 HydrophobicContact CG-CB 4.16Å; F322-W369 AromaticContact CG-CD1 3.76Å; F322-W369 AromaticContact CG-CG 3.88Å; F322-W369 HydrophobicContact CG-CG 3.88Å; F322-W369 HydrophobicContact CZ-CB 3.55Å; F322-W369 HydrophobicContact CZ-CG 4.3Å; W347-W369 HydrophobicContact CE3-CH2 4.39Å; W347-W369 AromaticContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CH2 3.49Å; W347-W369 VanDerWaalsContact CH2-CH2 3.49Å; W347-W369 HydrophobicContact CH2-CZ2 4.2Å; W347-W369 HydrophobicContact CH2-CZ3 4.34Å; W347-W369 AromaticContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CH2 3.37Å; W347-W369 HydrophobicContact CZ3-CZ2 4.33Å; W347-W369 HydrophobicContact CZ3-CZ3 4.11Å; R353-W369 HydrophobicContact CB-CD2 4.01Å; R353-W369 HydrophobicContact CB-CE3 3.92Å; R353-W369 HydrophobicContact CB-CH2 3.86Å; R353-W369 HydrophobicContact CB-CZ2 3.99Å; R353-W369 HydrophobicContact CB-CZ3 3.81Å; R353-W369 WeakPolarHBondContact CD-O 3.3Å; R353-W369 HydrophobicContact CG-CD2 4.37Å; R353-W369 HydrophobicContact CG-CH2 3.98Å; R353-W369 HydrophobicContact CG-CZ2 3.69Å; R353-W369 HydrophobicContact CG-CZ3 4.42Å; R353-W369 WeakPolarHBondContact O-CZ3 3.48Å; R353-W369 PolarHBondContact O-N 3.37Å; L355-W369 HydrophobicContact CD1-CE3 3.83Å; L355-W369 HydrophobicContact CD1-CH2 3.89Å; L355-W369 HydrophobicContact CD1-CZ3 3.13Å; L355-W369 HydrophobicContact CG-CZ3 4.41Å; W367-W369 HydrophobicContact CE3-CB 4.37Å; W367-W369 AromaticContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CE3-CE3 3.9Å; W367-W369 HydrophobicContact CH2-CE3 4.41Å; W367-W369 HydrophobicContact CZ3-CB 4.32Å; W367-W369 HydrophobicContact CZ3-CD2 4.09Å; W367-W369 AromaticContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CE3 3.46Å; W367-W369 VanDerWaalsContact CZ3-CE3 3.46Å; W367-W369 HydrophobicContact CZ3-CG 4.46Å; W367-W369 HydrophobicContact CZ3-CZ3 4.17Å
370V89.4Confident84.4Confident36 Ų3642.3 Ų42.322%0.21823%0.234CC..PPolyproline II helixtrans-77.2135.7178-177.80000109.5S24 K26 P372S24-V370 PolarHBondContact O-N 3.07Å; K26-V370 HydrophobicContact CB-CG2 4.43Å; V370-P372 VanDerWaalsContact O-CD 3.26Å; V370-P372 WeakPolarHBondContact O-CD 3.47Å
371D81.6Confident83.9Confident28 Ų2843.1 Ų43.115%0.1524%0.236CC..PPolyproline II helixtrans-67.8118.2173.6-171.1-21000110R353 Q373 T374R353-D371 IonicContact CZ-OD2 3.65Å; R353-D371 IonicContact NE-OD2 3.7Å; R353-D371 IonicContact NH2-OD2 2.67Å; R353-D371 PolarHBondContact NH2-OD2 3.25Å; D371-Q373 PolarHBondContact O-N 3.42Å; D371-Q373 VanDerWaalsContact O-N 3.08Å; D371-Q373 WeakPolarHBondContact OD1-CB 3.43Å; D371-Q373 PolarHBondContact OD1-N 3.42Å; D371-T374 HydrophobicContact CB-CG2 3.94Å; D371-T374 WeakPolarHBondContact CB-OG1 3.25Å; D371-T374 PolarHBondContact O-N 3.46Å; D371-T374 PolarHBondContact O-OG1 3.03Å
372P70.4Confident83.4Confident68 Ų6842.2 Ų42.244%0.44223%0.232SC..G310 helixtrans-57.5-24.5178.4-22.333.3000113.3L321 V370L321-P372 HydrophobicContact CD1-CG 4.12Å; V370-P372 VanDerWaalsContact O-CD 3.26Å; V370-P372 WeakPolarHBondContact O-CD 3.47Å
373Q67Low82.7Confident160 Ų16045.4 Ų45.475%0.74825%0.249SC*.G310 helixtrans-84.1-8.2-179.5-58.5-170.25.400114.1D371D371-Q373 PolarHBondContact O-N 3.42Å; D371-Q373 VanDerWaalsContact O-N 3.08Å; D371-Q373 WeakPolarHBondContact OD1-CB 3.43Å; D371-Q373 PolarHBondContact OD1-N 3.42Å
374T60Low81.8Confident99 Ų9948.8 Ų48.861%0.60727%0.267SS*.G310 helixtrans-103.51.5-178.860.90000114.4D371D371-T374 HydrophobicContact CB-CG2 3.94Å; D371-T374 WeakPolarHBondContact CB-OG1 3.25Å; D371-T374 PolarHBondContact O-N 3.46Å; D371-T374 PolarHBondContact O-OG1 3.03Å
375N44.6Very low80.5Confident180 Ų18053.2 Ų53.296%0.96329%0.291SS*.  trans-98.30177.2-91.4-13.5000112.9

Retrieved 375 of 375 residues in 370.7 ms (Link to these results)