A0A093HJG0_STRCA Loading...

WD repeat-containing protein 89

AlphaFold DB , UniProt , Accession A0A093HJG0, Species STRCA (Struthio camelus australis), Gene n/a, Length 386 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
1M48.9Very low78.4Confident213 Ų21374.5 Ų74.5100%1.04936%0.36SS*.  0114.90-158179.7-74.700105
2E57.8Low79.7Confident81 Ų8179.3 Ų79.338%0.37937%0.372SS..  trans-58.9141.1177.2-174.8168.2-176.200108.3I4 E6 R10E2-I4 PolarHBondContact O-N 3.5Å; E2-E6 HydrophobicContact CG-CB 3.68Å; E2-E6 WeakPolarHBondContact CG-OE2 3.47Å; E2-R10 VanDerWaalsContact OE1-CD 3.24Å; E2-R10 WeakPolarHBondContact OE1-CD 3.4Å; E2-R10 IonicContact OE1-CZ 3.66Å; E2-R10 IonicContact OE1-NE 3.6Å; E2-R10 IonicContact OE1-NH1 3.49Å; E2-R10 PolarHBondContact OE1-NH1 3.46Å; E2-R10 IonicContact OE2-NH1 3.94Å; E2-R10 PolarHBondContact OE2-NH1 2.92Å
3K77.5Confident81Confident134 Ų13474.2 Ų74.258%0.58335%0.348SS*.  trans-65.8139.4175.4-74.7-174.5176.4-173.20108E5 E6 Q7K3-E5 PolarHBondContact O-N 3.32Å; K3-E6 HydrophobicContact CB-CG 4.2Å; K3-E6 PolarHBondContact N-OE2 2.91Å; K3-E6 WeakPolarHBondContact O-CB 3.07Å; K3-E6 PolarHBondContact O-N 2.69Å; K3-Q7 PolarHBondContact O-N 3.01Å; K3-Q7 VanDerWaalsContact O-N 3.17Å
4I79.8Confident82Confident15 Ų1570.4 Ų70.48%0.07734%0.335CS..Hα-helixtrans-56.1-30.3-177.9-151.7-179.5000111.8E2 Q7 F8 H284 A287 K289 L291E2-I4 PolarHBondContact O-N 3.5Å; I4-Q7 PolarHBondContact O-N 2.8Å; I4-F8 HydrophobicContact CD1-CD2 4.46Å; I4-F8 HydrophobicContact CD1-CE2 3.61Å; I4-F8 HydrophobicContact CD1-CZ 4.32Å; I4-F8 HydrophobicContact CG1-CD2 3.87Å; I4-F8 HydrophobicContact CG1-CE2 3.42Å; I4-F8 VanDerWaalsContact CG1-CE2 3.42Å; I4-F8 HydrophobicContact CG1-CZ 4.26Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 2.89Å; I4-H284 HydrophobicContact CD1-CB 4.02Å; I4-A287 HydrophobicContact CB-CB 4.38Å; I4-A287 HydrophobicContact CD1-CB 3.67Å; I4-A287 HydrophobicContact CG1-CB 4.1Å; I4-K289 HydrophobicContact CD1-CB 3.96Å; I4-K289 HydrophobicContact CD1-CG 4.4Å; I4-L291 HydrophobicContact CD1-CD1 3.87Å; I4-L291 HydrophobicContact CD1-CD2 4.22Å; I4-L291 HydrophobicContact CD1-CG 4.35Å
5E80Confident82.9Confident95 Ų9571.7 Ų71.744%0.44434%0.339SS..Hα-helixtrans-63.3-41.2173.9-57.1126179.600112.9K3 G9 V314K3-E5 PolarHBondContact O-N 3.32Å; E5-G9 PolarHBondContact O-N 3.07Å; E5-V314 HydrophobicContact CB-CG1 4.04Å; E5-V314 HydrophobicContact CG-CG1 3.79Å
6E82.4Confident83.7Confident108 Ų10871.6 Ų71.651%0.50534%0.335SS..Hα-helixtrans-67.6-42.7177.5-66172.7161.900110.4E2 K3 G9 R10E2-E6 HydrophobicContact CG-CB 3.68Å; E2-E6 WeakPolarHBondContact CG-OE2 3.47Å; K3-E6 HydrophobicContact CB-CG 4.2Å; K3-E6 PolarHBondContact N-OE2 2.91Å; K3-E6 WeakPolarHBondContact O-CB 3.07Å; K3-E6 PolarHBondContact O-N 2.69Å; E6-G9 PolarHBondContact O-N 2.85Å; E6-R10 WeakPolarHBondContact O-CD 3.24Å; E6-R10 VanDerWaalsContact O-CG 3.23Å; E6-R10 WeakPolarHBondContact O-CG 3.48Å; E6-R10 PolarHBondContact O-N 2.85Å; E6-R10 VanDerWaalsContact O-N 3.15Å
7Q82.6Confident84.4Confident13 Ų1367.9 Ų67.96%0.06132%0.318CS..Hα-helixtrans-59.7-51177.9-172.3-175.417.200111.4K3 I4 R10 E335K3-Q7 PolarHBondContact O-N 3.01Å; K3-Q7 VanDerWaalsContact O-N 3.17Å; I4-Q7 PolarHBondContact O-N 2.8Å; Q7-R10 PolarHBondContact O-N 2.95Å; Q7-E335 VanDerWaalsContact NE2-CG 3.32Å; Q7-E335 PolarHBondContact NE2-OE2 3.18Å
8F85.4Confident84.8Confident4 Ų469.7 Ų69.72%0.01834%0.335CS..Hα-helixtrans-70-35.5178.4-71.2-52.8000113I4 R10 L11 L291 L303 V314 W330I4-F8 HydrophobicContact CD1-CD2 4.46Å; I4-F8 HydrophobicContact CD1-CE2 3.61Å; I4-F8 HydrophobicContact CD1-CZ 4.32Å; I4-F8 HydrophobicContact CG1-CD2 3.87Å; I4-F8 HydrophobicContact CG1-CE2 3.42Å; I4-F8 VanDerWaalsContact CG1-CE2 3.42Å; I4-F8 HydrophobicContact CG1-CZ 4.26Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 2.89Å; F8-R10 PolarHBondContact O-N 2.73Å; F8-R10 VanDerWaalsContact O-N 3.14Å; F8-L11 HydrophobicContact CD1-CD1 3.7Å; F8-L11 HydrophobicContact CD1-CG 4.42Å; F8-L11 HydrophobicContact CE1-CD1 4.41Å; F8-L11 WeakPolarHBondContact O-CB 3.41Å; F8-L11 PolarHBondContact O-N 2.97Å; F8-L291 HydrophobicContact CE2-CD1 3.26Å; F8-L291 HydrophobicContact CE2-CD2 4.18Å; F8-L291 HydrophobicContact CE2-CG 4.35Å; F8-L291 HydrophobicContact CZ-CD1 3.29Å; F8-L303 HydrophobicContact CB-CD1 3.73Å; F8-L303 HydrophobicContact CD1-CD1 3.47Å; F8-L303 VanDerWaalsContact CD1-CD1 3.47Å; F8-L303 HydrophobicContact CD2-CD1 4.2Å; F8-L303 HydrophobicContact CE1-CD1 4.1Å; F8-L303 HydrophobicContact CG-CD1 3.55Å; F8-V314 HydrophobicContact CB-CG1 4.33Å; F8-V314 HydrophobicContact CD2-CG1 3.96Å; F8-W330 HydrophobicContact CD1-CH2 4.16Å; F8-W330 HydrophobicContact CD1-CZ3 4.22Å; F8-W330 HydrophobicContact CE1-CE3 4.07Å; F8-W330 AromaticContact CE1-CH2 3.54Å; F8-W330 HydrophobicContact CE1-CH2 3.54Å; F8-W330 HydrophobicContact CE1-CZ2 4.01Å; F8-W330 AromaticContact CE1-CZ3 3.6Å; F8-W330 HydrophobicContact CE1-CZ3 3.6Å; F8-W330 HydrophobicContact CZ-CH2 4.39Å; F8-W330 HydrophobicContact CZ-CZ2 4.44Å
9G84.3Confident84.9Confident39 Ų3971.6 Ų71.640%0.40235%0.346SS..Hα-helixtrans-59.9-23.5174.800000113.3E5 E6 R12E5-G9 PolarHBondContact O-N 3.07Å; E6-G9 PolarHBondContact O-N 2.85Å; G9-R12 PolarHBondContact O-NH1 2.8Å; G9-R12 PolarHBondContact O-NH2 3.49Å
10R89.7Confident84.8Confident117 Ų11770.5 Ų70.544%0.44235%0.346SS..THydrogen-bonded Turntrans-87.8-10176.6-69.5167.365.2-164.6-4.2114.1E2 E6 Q7 F8 R12 P351 G352E2-R10 VanDerWaalsContact OE1-CD 3.24Å; E2-R10 WeakPolarHBondContact OE1-CD 3.4Å; E2-R10 IonicContact OE1-CZ 3.66Å; E2-R10 IonicContact OE1-NE 3.6Å; E2-R10 IonicContact OE1-NH1 3.49Å; E2-R10 PolarHBondContact OE1-NH1 3.46Å; E2-R10 IonicContact OE2-NH1 3.94Å; E2-R10 PolarHBondContact OE2-NH1 2.92Å; E6-R10 WeakPolarHBondContact O-CD 3.24Å; E6-R10 VanDerWaalsContact O-CG 3.23Å; E6-R10 WeakPolarHBondContact O-CG 3.48Å; E6-R10 PolarHBondContact O-N 2.85Å; E6-R10 VanDerWaalsContact O-N 3.15Å; Q7-R10 PolarHBondContact O-N 2.95Å; F8-R10 PolarHBondContact O-N 2.73Å; F8-R10 VanDerWaalsContact O-N 3.14Å; R10-R12 PolarHBondContact O-N 3.33Å; R10-P351 HydrophobicContact CB-CB 4.23Å; R10-P351 CarbonylContact O-C 3.54Å; R10-P351 WeakPolarHBondContact O-CA 3.36Å; R10-G352 PolarHBondContact O-N 2.74Å
11L93.6Very high84.7Confident1 Ų176.6 Ų76.61%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-62.3126.5178.2-72.5-178.6000110.8F8 L317 W330 L337 W349 P351F8-L11 HydrophobicContact CD1-CD1 3.7Å; F8-L11 HydrophobicContact CD1-CG 4.42Å; F8-L11 HydrophobicContact CE1-CD1 4.41Å; F8-L11 WeakPolarHBondContact O-CB 3.41Å; F8-L11 PolarHBondContact O-N 2.97Å; L11-L317 HydrophobicContact CB-CD2 3.8Å; L11-L317 HydrophobicContact CD1-CD1 4.18Å; L11-L317 HydrophobicContact CD1-CD2 4.43Å; L11-W330 HydrophobicContact CD1-CZ3 4.05Å; L11-W330 HydrophobicContact CD2-CZ3 4.34Å; L11-L337 HydrophobicContact CD1-CB 4.29Å; L11-W349 HydrophobicContact CB-CB 4.36Å; L11-W349 HydrophobicContact CD2-CB 4.34Å; L11-P351 HydrophobicContact CD2-CG 4.13Å
12R94.8Very high86.4Confident132 Ų13273.7 Ų73.750%0.49836%0.358SS..EExtended strand (participates in β ladder)trans-136.5157.2175.3-64-64.8179.3-88.2-3.8108.8G9 R10 A14 W349 K350 A353G9-R12 PolarHBondContact O-NH1 2.8Å; G9-R12 PolarHBondContact O-NH2 3.49Å; R10-R12 PolarHBondContact O-N 3.33Å; R12-A14 PolarHBondContact O-N 3.22Å; R12-A14 VanDerWaalsContact O-N 3.13Å; R12-W349 CarbonylContact O-C 3.6Å; R12-W349 VanDerWaalsContact O-CA 3.27Å; R12-W349 WeakPolarHBondContact O-CA 3.43Å; R12-K350 PolarHBondContact N-O 2.99Å; R12-K350 PolarHBondContact O-N 3.21Å; R12-A353 HydrophobicContact CB-CB 4.34Å; R12-A353 WeakPolarHBondContact CB-O 3.39Å
13I95.6Very high88Confident13 Ų1374.3 Ų74.37%0.06737%0.369CS..EExtended strand (participates in β ladder)trans-65.9115.2-179.6-55.7172.7000108.6R16 G320 W349 E355I13-R16 HydrophobicContact CG2-CG 3.96Å; I13-G320 VanDerWaalsContact CD1-CA 3.48Å; I13-W349 HydrophobicContact CD1-CH2 3.77Å; I13-W349 HydrophobicContact CD1-CZ2 4.4Å; I13-W349 HydrophobicContact CD1-CZ3 3.87Å; I13-W349 HydrophobicContact CG1-CD2 4.09Å; I13-W349 HydrophobicContact CG1-CE3 3.53Å; I13-W349 HydrophobicContact CG1-CH2 3.56Å; I13-W349 HydrophobicContact CG1-CZ2 4.11Å; I13-W349 HydrophobicContact CG1-CZ3 3.23Å; I13-E355 WeakPolarHBondContact O-CA 3.45Å; I13-E355 PolarHBondContact O-N 3.16Å
14A95.1Very high88.8Confident20 Ų2068 Ų6817%0.16534%0.342CS..EExtended strand (participates in β ladder)trans-90-42.117600000111.2R12 L348 K350 A353R12-A14 PolarHBondContact O-N 3.22Å; R12-A14 VanDerWaalsContact O-N 3.13Å; A14-L348 HydrophobicContact CB-CG 4.39Å; A14-L348 WeakPolarHBondContact CB-O 3.23Å; A14-L348 PolarHBondContact N-O 2.72Å; A14-K350 HydrophobicContact CB-CB 4.02Å; A14-K350 HydrophobicContact CB-CD 4.42Å; A14-K350 HydrophobicContact CB-CG 4.04Å; A14-A353 HydrophobicContact CB-CB 3.71Å
15K95.6Very high89.6Confident90 Ų9072.8 Ų72.839%0.39136%0.36SS..EExtended strand (participates in β ladder)trans-147.1155.3-178.9-62.8-67.3175.6175.20111.6L60 L348K15-L60 HydrophobicContact CB-CB 4.45Å; K15-L60 HydrophobicContact CB-CD1 3.8Å; K15-L60 HydrophobicContact CB-CG 3.92Å; K15-L348 HydrophobicContact CB-CB 4.18Å; K15-L348 HydrophobicContact CB-CD2 4.48Å; K15-L348 HydrophobicContact CG-CD2 4.39Å; K15-L348 PolarHBondContact N-O 2.86Å; K15-L348 PolarHBondContact O-N 3.48Å
16R95.6Very high90.4Very high71 Ų7168.3 Ų68.327%0.26834%0.339SS..EExtended strand (participates in β ladder)trans-127.8138.8168-43.7-163.8173.2-126.13.4108.4I13 G319 G320 L347 E355I13-R16 HydrophobicContact CG2-CG 3.96Å; R16-G319 PolarHBondContact NH2-O 2.98Å; R16-G320 PolarHBondContact NH1-O 2.8Å; R16-L347 HydrophobicContact CB-CD2 3.66Å; R16-L347 HydrophobicContact CG-CD2 3.51Å; R16-E355 WeakPolarHBondContact CD-OE1 3.4Å; R16-E355 IonicContact CZ-OE1 3.37Å; R16-E355 IonicContact NE-OE1 3.61Å; R16-E355 PolarHBondContact NE-OE1 3.38Å; R16-E355 IonicContact NE-OE2 2.65Å; R16-E355 IonicContact NH2-OE1 3.84Å; R16-E355 IonicContact NH2-OE2 2.83Å; R16-E355 PolarHBondContact NH2-OE2 3.14Å
17S95.3Very high91.1Very high8 Ų866.4 Ų66.46%0.05633%0.332CS..PPolyproline II helixtrans-64.8152.1168.363.80000110.4L346S17-L346 PolarHBondContact N-O 3.31Å; S17-L346 PolarHBondContact OG-N 3.14Å; S17-L346 PolarHBondContact OG-O 3.13Å
18T91.6Very high91.8Very high100 Ų10066.7 Ų66.761%0.61333%0.334SS*.PPolyproline II helixtrans-67.9139.8167.349.50000109.8S20T18-S20 PolarHBondContact O-N 3.41Å
19L87.3Confident92.4Very high106 Ų10666.8 Ų66.856%0.55534%0.335SS*.PPolyproline II helixtrans-64.3134.8172.5-73.1166.8000109.9A344 Q345L19-A344 HydrophobicContact CD2-CB 4.39Å; L19-Q345 HydrophobicContact CD2-CG 3.95Å
20S82.8Confident93Very high50 Ų5066.4 Ų66.435%0.3532%0.323SS..PPolyproline II helixtrans-69.5152.8170.4-179.80000110.4T18 E22T18-S20 PolarHBondContact O-N 3.41Å; S20-E22 WeakPolarHBondContact CB-O 3.38Å; S20-E22 PolarHBondContact O-N 3.45Å; S20-E22 PolarHBondContact OG-N 3.32Å; S20-E22 PolarHBondContact OG-O 3.33Å
21E82Confident93.2Very high199 Ų19961.6 Ų61.693%0.9331%0.307SS*.SBendtrans-61.7-35.1170.5-63.8-171.9169.500111.3P23E21-P23 WeakPolarHBondContact O-CD 3.43Å
22E86.1Confident93.1Very high152 Ų15261.6 Ų61.671%0.7131%0.307SS*.SBendtrans-108.195170.5-65.3-174.8178.100109S20 R53S20-E22 WeakPolarHBondContact CB-O 3.38Å; S20-E22 PolarHBondContact O-N 3.45Å; S20-E22 PolarHBondContact OG-N 3.32Å; S20-E22 PolarHBondContact OG-O 3.33Å; E22-R53 PolarHBondContact O-NH2 3.35Å; E22-R53 VanDerWaalsContact O-NH2 3.16Å
23P90.4Very high92.5Very high93 Ų9359.9 Ų59.960%0.60430%0.303SS*.  trans-67.9137.6-179.527.8-33.5000110.1E21 A344E21-P23 WeakPolarHBondContact O-CD 3.43Å; P23-A344 HydrophobicContact CB-CB 3.72Å
24A94.8Very high91.1Very high3 Ų362.8 Ų62.83%0.02532%0.323CS..  trans-137.1146.6177.400000108.7C47 S49 A344A24-C47 HydrophobicContact CB-CB 3.93Å; A24-S49 WeakPolarHBondContact CB-OG 3.27Å; A24-A344 WeakPolarHBondContact O-CA 3.16Å; A24-A344 WeakPolarHBondContact O-CB 3.21Å
25Y96.8Very high89.4Confident115 Ų11563.7 Ų63.745%0.45133%0.33SS..  trans-67.9141.2177.9-55.1-19000109.4C47 S48 E342Y25-C47 CarbonylContact O-C 3.53Å; Y25-C47 VanDerWaalsContact O-CA 3.26Å; Y25-C47 WeakPolarHBondContact O-CA 3.43Å; Y25-S48 PolarHBondContact N-OG 3.42Å; Y25-S48 PolarHBondContact O-N 2.87Å; Y25-E342 HydrophobicContact CD1-CB 3.91Å; Y25-E342 HydrophobicContact CD1-CG 4.31Å; Y25-E342 WeakPolarHBondContact CD1-O 3.45Å; Y25-E342 HydrophobicContact CD2-CG 4.15Å; Y25-E342 HydrophobicContact CE1-CB 4.02Å; Y25-E342 VanDerWaalsContact CE1-O 3.26Å; Y25-E342 WeakPolarHBondContact CE1-O 3.26Å; Y25-E342 HydrophobicContact CE2-CG 4.38Å; Y25-E342 HydrophobicContact CG-CB 4.22Å; Y25-E342 HydrophobicContact CG-CG 4.11Å
26L97.3Very high87.5Confident1 Ų169.7 Ų69.71%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-96.8101.7179.4-53-168.4000109.1V45 R326 S327 G341 Q345 L346L26-V45 HydrophobicContact CB-CG1 3.67Å; L26-V45 HydrophobicContact CD1-CG1 4.11Å; L26-V45 HydrophobicContact CD2-CG1 3.78Å; L26-V45 HydrophobicContact CG-CG1 4.03Å; L26-R326 WeakPolarHBondContact O-CB 3.27Å; L26-S327 PolarHBondContact O-OG 2.78Å; L26-G341 PolarHBondContact N-O 3.1Å; L26-Q345 VanDerWaalsContact CD1-C 3.4Å; L26-Q345 VanDerWaalsContact CD1-O 3.29Å; L26-Q345 WeakPolarHBondContact CD1-O 3.45Å; L26-L346 HydrophobicContact CD1-CB 3.82Å
27L96.7Very high85.3Confident68 Ų6870.3 Ų70.336%0.35638%0.375SS..EExtended strand (participates in β ladder)trans-92.8-30.2-163.8-58.7179.5000113.5S46L27-S46 PolarHBondContact N-O 3.13Å
28D97.3Very high83.4Confident19 Ų1979.8 Ų79.810%0.10242%0.418CS..EExtended strand (participates in β ladder)trans-148.6147.4178-162.921.4000109.7V45 S46 G75 V76 R77D28-V45 VanDerWaalsContact O-CA 3.32Å; D28-V45 WeakPolarHBondContact O-CA 3.12Å; D28-V45 WeakPolarHBondContact O-CG1 3.48Å; D28-S46 WeakPolarHBondContact CB-OG 3.43Å; D28-S46 PolarHBondContact N-OG 2.76Å; D28-S46 PolarHBondContact O-N 2.91Å; D28-G75 VanDerWaalsContact OD2-CA 3.28Å; D28-G75 WeakPolarHBondContact OD2-CA 3.48Å; D28-V76 HydrophobicContact CB-CG1 4.29Å; D28-V76 PolarHBondContact OD2-N 2.92Å; D28-R77 IonicContact OD1-NH1 3.68Å; D28-R77 IonicContact OD2-CZ 2.74Å; D28-R77 IonicContact OD2-NH1 3.45Å; D28-R77 PolarHBondContact OD2-NH1 2.96Å; D28-R77 IonicContact OD2-NH2 2.73Å
29I97.6Very high81.6Confident6 Ų676.7 Ų76.73%0.03140%0.4CS..EExtended strand (participates in β ladder)trans-132.1132.7-179.1-65.4167.8000108.2V43 A44 V45 S327 C329 L338 G340 L346I29-V43 HydrophobicContact CG2-CG1 3.72Å; I29-A44 WeakPolarHBondContact CA-O 3.09Å; I29-V45 HydrophobicContact CG1-CG1 4.28Å; I29-V45 HydrophobicContact CG1-CG2 4.22Å; I29-S327 WeakPolarHBondContact CD1-OG 3.32Å; I29-S327 WeakPolarHBondContact CG1-OG 3.32Å; I29-C329 HydrophobicContact CB-CB 4.37Å; I29-C329 HydrophobicContact CG2-CB 3.77Å; I29-L338 HydrophobicContact CG2-CB 4.36Å; I29-G340 VanDerWaalsContact CD1-N 3.34Å; I29-L346 HydrophobicContact CD1-CD1 3.66Å; I29-L346 HydrophobicContact CG1-CD1 4.34Å
30D96.6Very high80.5Confident31 Ų3174.9 Ų74.917%0.16640%0.397CS..EExtended strand (participates in β ladder)trans-135.8158.9164.5-164.124.9000111.6V43 A44 V76 R77 F78D30-V43 WeakPolarHBondContact O-CA 3.24Å; D30-A44 PolarHBondContact N-O 2.86Å; D30-A44 PolarHBondContact O-N 3.01Å; D30-V76 WeakPolarHBondContact CB-O 3.44Å; D30-R77 VanDerWaalsContact OD2-CA 3.24Å; D30-R77 WeakPolarHBondContact OD2-CA 3.11Å; D30-F78 HydrophobicContact CB-CD2 4.26Å; D30-F78 WeakPolarHBondContact O-CE2 3.45Å; D30-F78 PolarHBondContact OD2-N 3.14Å
31V94.5Very high80.7Confident16 Ų1676 Ų7610%0.09739%0.393CS..EExtended strand (participates in β ladder)trans-124.4141.9-176.2-59.30000111.4K33 V43 C329 L338V31-K33 PolarHBondContact O-N 3.15Å; V31-V43 HydrophobicContact CG1-CG1 4.37Å; V31-V43 HydrophobicContact CG1-CG2 4.08Å; V31-C329 HydrophobicContact CG1-CB 4.38Å; V31-L338 HydrophobicContact CG1-CD1 3.46Å; V31-L338 VanDerWaalsContact CG1-CD1 3.46Å
32S91.5Very high81.2Confident1 Ų167.9 Ų67.91%0.00736%0.355CS..PPolyproline II helixtrans-65.3129.8173.263.10000109.7F42 F78S32-F42 PolarHBondContact N-O 3.03Å; S32-F42 VanDerWaalsContact N-O 3.08Å; S32-F42 PolarHBondContact OG-N 3.15Å; S32-F42 PolarHBondContact OG-O 3.36Å; S32-F78 VanDerWaalsContact N-CD2 3.33Å
33K83.2Confident81.6Confident96 Ų9660.7 Ų60.742%0.41732%0.321SS..PPolyproline II helixtrans-66.4142.7168.7-69.9-176.9176.4174.10109.7V31 A35 H80V31-K33 PolarHBondContact O-N 3.15Å; K33-A35 PolarHBondContact O-N 2.78Å; K33-H80 HydrophobicContact CD-CB 4.27Å; K33-H80 VanDerWaalsContact CE-ND1 3.34Å; K33-H80 WeakPolarHBondContact CE-ND1 3.47Å; K33-H80 PolarHBondContact NZ-ND1 3.29Å
34P65.7Low82Confident74 Ų7456.2 Ų56.248%0.48129%0.293SS..PPolyproline II helixtrans-62.9121.717724.4-30.7000109.6
35A58.2Low82.1Confident39 Ų3956.1 Ų56.132%0.32229%0.292SS..PPolyproline II helixtrans-70.2163167.300000110K33 S37K33-A35 PolarHBondContact O-N 2.78Å; A35-S37 PolarHBondContact O-N 3.36Å
36E56.5Low82.1Confident215 Ų21550.7 Ų50.7100%1.00527%0.271SS*.SBendtrans-62.7-5.2177.8-64.4-175.4161.100114.3
37S49.8Very low82Confident84 Ų8450.8 Ų50.859%0.58727%0.271SS*.SBendtrans-112.2157.4172.2760000110.3A35 S39A35-S37 PolarHBondContact O-N 3.36Å; S37-S39 PolarHBondContact O-N 3.34Å
38E54.8Low81.9Confident208 Ų20850.2 Ų50.297%0.97227%0.273SS*.  trans-63.158.7174.1-67-163.9162.200112.8
39S54.4Low81.7Confident34 Ų3451.8 Ų51.824%0.23829%0.286CS..PPolyproline II helixtrans-81.2153178.369.90000109.9S37 R41 D83S37-S39 PolarHBondContact O-N 3.34Å; S39-R41 PolarHBondContact O-N 2.86Å; S39-D83 WeakPolarHBondContact CB-OD2 3.23Å; S39-D83 PolarHBondContact OG-OD2 3.27Å
40S63.7Low81.5Confident69 Ų6955.3 Ų55.348%0.48330%0.301SS..PPolyproline II helixtrans-60.5127.9-178.2-68.60000110.1F42S40-F42 WeakPolarHBondContact O-CD2 3.33Å; S40-F42 WeakPolarHBondContact O-CE2 3.21Å
41R86.1Confident81.4Confident72 Ų7254.1 Ų54.127%0.27230%0.295SS..PPolyproline II helixtrans-81.2124.9176.3-61.6-179.7-178-171.10.4109.6S39 R57 D334S39-R41 PolarHBondContact O-N 2.86Å; R41-R57 HydrophobicContact CB-CB 3.71Å; R41-R57 HydrophobicContact CB-CG 4.36Å; R41-R57 VanDerWaalsContact O-CB 3.25Å; R41-R57 WeakPolarHBondContact O-CB 3.39Å; R41-R57 PolarHBondContact O-N 3.48Å; R41-D334 IonicContact CZ-OD1 2.69Å; R41-D334 IonicContact NH1-OD1 3.54Å; R41-D334 PolarHBondContact NH1-OD1 2.87Å; R41-D334 IonicContact NH1-OD2 3.83Å; R41-D334 PolarHBondContact NH1-OD2 2.7Å
42F93.3Very high81.4Confident30 Ų3053.4 Ų53.413%0.13229%0.29CS..EExtended strand (participates in β ladder)trans-115.7154.8-176.1-57-70.5000112.2S32 S40 V54 Y55 L63 F78 I100S32-F42 PolarHBondContact N-O 3.03Å; S32-F42 VanDerWaalsContact N-O 3.08Å; S32-F42 PolarHBondContact OG-N 3.15Å; S32-F42 PolarHBondContact OG-O 3.36Å; S40-F42 WeakPolarHBondContact O-CD2 3.33Å; S40-F42 WeakPolarHBondContact O-CE2 3.21Å; F42-V54 HydrophobicContact CB-CG1 4.29Å; F42-V54 HydrophobicContact CD1-CG1 4.23Å; F42-Y55 WeakPolarHBondContact CA-O 3.06Å; F42-L63 HydrophobicContact CD1-CD1 3.57Å; F42-L63 HydrophobicContact CE1-CD1 3.59Å; F42-F78 HydrophobicContact CB-CE1 3.97Å; F42-F78 HydrophobicContact CB-CZ 3.6Å; F42-I100 HydrophobicContact CB-CD1 4.15Å; F42-I100 HydrophobicContact CD1-CD1 4.07Å; F42-I100 HydrophobicContact CD2-CD1 3.32Å; F42-I100 HydrophobicContact CE1-CD1 4.27Å; F42-I100 HydrophobicContact CE2-CD1 3.55Å; F42-I100 HydrophobicContact CE2-CG1 4.38Å; F42-I100 HydrophobicContact CG-CD1 3.58Å; F42-I100 HydrophobicContact CZ-CD1 4.01Å
43V95.6Very high81.6Confident0 Ų053.9 Ų53.90%029%0.292CS..EExtended strand (participates in β ladder)trans-125.7131.2168.3-175.70000106.9I29 D30 V31 V45 V54 Y55 R57 L338 L346I29-V43 HydrophobicContact CG2-CG1 3.72Å; D30-V43 WeakPolarHBondContact O-CA 3.24Å; V31-V43 HydrophobicContact CG1-CG1 4.37Å; V31-V43 HydrophobicContact CG1-CG2 4.08Å; V43-V45 HydrophobicContact CG1-CG2 4.05Å; V43-V54 CarbonylContact O-C 3.45Å; V43-V54 VanDerWaalsContact O-CA 3.31Å; V43-V54 WeakPolarHBondContact O-CA 3.44Å; V43-Y55 PolarHBondContact N-O 3.28Å; V43-Y55 PolarHBondContact O-N 3.33Å; V43-R57 HydrophobicContact CG2-CB 3.63Å; V43-R57 HydrophobicContact CG2-CG 3.62Å; V43-L338 HydrophobicContact CB-CD1 4.43Å; V43-L338 HydrophobicContact CG1-CD1 3.98Å; V43-L338 HydrophobicContact CG2-CD1 3.53Å; V43-L346 HydrophobicContact CG1-CD2 4.16Å
44A97Very high82.3Confident0 Ų049.4 Ų49.40%027%0.273CS..EExtended strand (participates in β ladder)trans-111.7136.2174.100000108.1I29 D30 I52 R53 V76 F78 V86I29-A44 WeakPolarHBondContact CA-O 3.09Å; D30-A44 PolarHBondContact N-O 2.86Å; D30-A44 PolarHBondContact O-N 3.01Å; A44-I52 HydrophobicContact CB-CG2 4.36Å; A44-R53 WeakPolarHBondContact CA-O 3.35Å; A44-V76 HydrophobicContact CB-CG2 3.69Å; A44-F78 HydrophobicContact CB-CD2 4.2Å; A44-F78 HydrophobicContact CB-CE2 3.39Å; A44-F78 HydrophobicContact CB-CZ 3.74Å; A44-V86 HydrophobicContact CB-CG1 4.17Å; A44-V86 HydrophobicContact CB-CG2 4.31Å
45V97.4Very high83.7Confident0 Ų046.4 Ų46.40%025%0.252CS..EExtended strand (participates in β ladder)trans-130.1129.2-176.4-173.10000108.9L26 D28 I29 V43 I52 R53 Y55 L346L26-V45 HydrophobicContact CB-CG1 3.67Å; L26-V45 HydrophobicContact CD1-CG1 4.11Å; L26-V45 HydrophobicContact CD2-CG1 3.78Å; L26-V45 HydrophobicContact CG-CG1 4.03Å; D28-V45 VanDerWaalsContact O-CA 3.32Å; D28-V45 WeakPolarHBondContact O-CA 3.12Å; D28-V45 WeakPolarHBondContact O-CG1 3.48Å; I29-V45 HydrophobicContact CG1-CG1 4.28Å; I29-V45 HydrophobicContact CG1-CG2 4.22Å; V43-V45 HydrophobicContact CG1-CG2 4.05Å; V45-I52 CarbonylContact O-C 3.58Å; V45-I52 WeakPolarHBondContact O-CA 3.22Å; V45-R53 PolarHBondContact N-O 3.07Å; V45-R53 PolarHBondContact O-N 2.99Å; V45-Y55 HydrophobicContact CB-CE2 4.39Å; V45-Y55 HydrophobicContact CG2-CD2 4.06Å; V45-Y55 HydrophobicContact CG2-CE2 4.01Å; V45-L346 HydrophobicContact CG2-CD1 4.34Å; V45-L346 HydrophobicContact CG2-CD2 4.12Å
46S96.6Very high85.4Confident2 Ų246.3 Ų46.31%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-84.5135.5169.873.60000109.8L27 D28L27-S46 PolarHBondContact N-O 3.13Å; D28-S46 WeakPolarHBondContact CB-OG 3.43Å; D28-S46 PolarHBondContact N-OG 2.76Å; D28-S46 PolarHBondContact O-N 2.91Å
47C95.8Very high87Confident2 Ų236.3 Ų36.31%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-116.8148.9-175.2-62.30000112.1A24 Y25 S49 K50 S51A24-C47 HydrophobicContact CB-CB 3.93Å; Y25-C47 CarbonylContact O-C 3.53Å; Y25-C47 VanDerWaalsContact O-CA 3.26Å; Y25-C47 WeakPolarHBondContact O-CA 3.43Å; C47-S49 VanDerWaalsContact CB-OG 3.25Å; C47-S49 WeakPolarHBondContact CB-OG 3.48Å; C47-S49 PolarHBondContact O-N 2.77Å; C47-K50 PolarHBondContact O-N 3.38Å; C47-S51 WeakPolarHBondContact CB-O 3.31Å; C47-S51 PolarHBondContact N-O 3.25Å
48S94.8Very high88.9Confident57 Ų5737.1 Ų37.140%0.39919%0.193SC..THydrogen-bonded Turntrans-61.3-15.4173.263.50000113.8Y25 K50Y25-S48 PolarHBondContact N-OG 3.42Å; Y25-S48 PolarHBondContact O-N 2.87Å; S48-K50 PolarHBondContact O-N 2.92Å
49S92.9Very high90.7Very high52 Ų5229.8 Ų29.836%0.36416%0.163SC..THydrogen-bonded Turntrans-74.18.6170.250.60000114.4A24 C47 S51A24-S49 WeakPolarHBondContact CB-OG 3.27Å; C47-S49 VanDerWaalsContact CB-OG 3.25Å; C47-S49 WeakPolarHBondContact CB-OG 3.48Å; C47-S49 PolarHBondContact O-N 2.77Å; S49-S51 PolarHBondContact O-N 2.92Å; S49-S51 PolarHBondContact OG-OG 3.31Å
50K93Very high92.7Very high80 Ų8028.2 Ų28.235%0.34815%0.152SC..SBendtrans61.528.2-176.3-48.8175173.4-168.20113.2C47 S48 S68 P70 G71C47-K50 PolarHBondContact O-N 3.38Å; S48-K50 PolarHBondContact O-N 2.92Å; K50-S68 PolarHBondContact O-N 2.8Å; K50-S68 VanDerWaalsContact O-N 3.11Å; K50-P70 PolarHBondContact NZ-O 2.95Å; K50-G71 WeakPolarHBondContact CD-O 3.29Å
51S93.9Very high94.1Very high6 Ų629.5 Ų29.54%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-122.3152.1179.662.50000112C47 S49 E65 Y66 L73C47-S51 WeakPolarHBondContact CB-O 3.31Å; C47-S51 PolarHBondContact N-O 3.25Å; S49-S51 PolarHBondContact O-N 2.92Å; S49-S51 PolarHBondContact OG-OG 3.31Å; S51-E65 WeakPolarHBondContact CB-OE1 3.4Å; S51-E65 PolarHBondContact OG-OE1 3.08Å; S51-Y66 CarbonylContact C-O 3.55Å; S51-Y66 VanDerWaalsContact CA-O 3.23Å; S51-Y66 WeakPolarHBondContact CA-O 3.03Å; S51-Y66 WeakPolarHBondContact CB-O 3.5Å; S51-L73 VanDerWaalsContact C-CD1 3.42Å; S51-L73 VanDerWaalsContact O-CD1 3.23Å; S51-L73 WeakPolarHBondContact O-CD1 3.34Å
52I95.7Very high94.5Very high1 Ų130.8 Ų30.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-103.5120.9171.9-54.3160.3000106.6A44 V45 E65 Y66 L73 V76 V86 S88 W98A44-I52 HydrophobicContact CB-CG2 4.36Å; V45-I52 CarbonylContact O-C 3.58Å; V45-I52 WeakPolarHBondContact O-CA 3.22Å; I52-E65 CarbonylContact O-C 3.55Å; I52-E65 VanDerWaalsContact O-CA 3.25Å; I52-E65 WeakPolarHBondContact O-CA 3.43Å; I52-Y66 PolarHBondContact N-O 2.71Å; I52-Y66 PolarHBondContact O-N 3.44Å; I52-L73 HydrophobicContact CD1-CD2 4.49Å; I52-L73 HydrophobicContact CG1-CD1 3.78Å; I52-L73 HydrophobicContact CG1-CD2 4.24Å; I52-V76 HydrophobicContact CG2-CG2 3.93Å; I52-V86 HydrophobicContact CG2-CG1 4.5Å; I52-S88 WeakPolarHBondContact CD1-OG 3.49Å; I52-W98 HydrophobicContact CD1-CZ2 4.4Å; I52-W98 VanDerWaalsContact CD1-NE1 3.28Å
53R95.9Very high94.5Very high10 Ų1032.8 Ų32.84%0.03817%0.173CC..EExtended strand (participates in β ladder)trans-105.7130.3176.9-65.4-177.5-179.3160.8-3.7109.8E22 A44 V45 Y55 F62 E65E22-R53 PolarHBondContact O-NH2 3.35Å; E22-R53 VanDerWaalsContact O-NH2 3.16Å; A44-R53 WeakPolarHBondContact CA-O 3.35Å; V45-R53 PolarHBondContact N-O 3.07Å; V45-R53 PolarHBondContact O-N 2.99Å; R53-Y55 HydrophobicContact CB-CD2 4.4Å; R53-Y55 HydrophobicContact CB-CE2 3.48Å; R53-Y55 VanDerWaalsContact CB-CE2 3.48Å; R53-Y55 WeakPolarHBondContact CD-OH 3.49Å; R53-F62 HydrophobicContact CB-CE2 4.28Å; R53-F62 HydrophobicContact CG-CE2 4.21Å; R53-E65 HydrophobicContact CG-CB 4.4Å; R53-E65 HydrophobicContact CG-CG 4.06Å; R53-E65 IonicContact CZ-OE1 3.79Å; R53-E65 IonicContact NE-OE1 3.01Å; R53-E65 PolarHBondContact NE-OE1 2.92Å; R53-E65 IonicContact NH2-OE1 2.96Å
54V96.2Very high94.4Very high2 Ų237.1 Ų37.11%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-108.9131.1179.9-176.50000109.3F42 V43 L63 R64 Y66 I100F42-V54 HydrophobicContact CB-CG1 4.29Å; F42-V54 HydrophobicContact CD1-CG1 4.23Å; V43-V54 CarbonylContact O-C 3.45Å; V43-V54 VanDerWaalsContact O-CA 3.31Å; V43-V54 WeakPolarHBondContact O-CA 3.44Å; V54-L63 HydrophobicContact CG1-CD1 4.48Å; V54-L63 WeakPolarHBondContact O-CB 3.13Å; V54-L63 PolarHBondContact O-N 2.79Å; V54-R64 PolarHBondContact N-O 2.8Å; V54-R64 PolarHBondContact O-N 3.09Å; V54-Y66 HydrophobicContact CG2-CD2 4.26Å; V54-Y66 HydrophobicContact CG2-CE2 3.97Å; V54-I100 HydrophobicContact CG1-CD1 4.49Å; V54-I100 HydrophobicContact CG2-CG2 4.19Å
55Y95.7Very high94.3Very high11 Ų1140.5 Ų40.54%0.04321%0.205CC..EExtended strand (participates in β ladder)trans-123.9154.6-178.5-60.2-97.5000110.6F42 V43 V45 R53 N61 F62 L346F42-Y55 WeakPolarHBondContact CA-O 3.06Å; V43-Y55 PolarHBondContact N-O 3.28Å; V43-Y55 PolarHBondContact O-N 3.33Å; V45-Y55 HydrophobicContact CB-CE2 4.39Å; V45-Y55 HydrophobicContact CG2-CD2 4.06Å; V45-Y55 HydrophobicContact CG2-CE2 4.01Å; R53-Y55 HydrophobicContact CB-CD2 4.4Å; R53-Y55 HydrophobicContact CB-CE2 3.48Å; R53-Y55 VanDerWaalsContact CB-CE2 3.48Å; R53-Y55 WeakPolarHBondContact CD-OH 3.49Å; Y55-N61 CarbonylContact C-O 3.56Å; Y55-N61 VanDerWaalsContact CA-O 3.29Å; Y55-N61 WeakPolarHBondContact CA-O 3.47Å; Y55-F62 HydrophobicContact CD1-CB 4.09Å; Y55-F62 HydrophobicContact CE1-CB 3.89Å; Y55-F62 HydrophobicContact CE1-CD2 4.04Å; Y55-F62 HydrophobicContact CE1-CG 4.49Å; Y55-L346 HydrophobicContact CD2-CD2 3.9Å; Y55-L346 HydrophobicContact CE2-CD2 4.36Å; Y55-L346 HydrophobicContact CG-CD2 3.99Å
56N93.6Very high94.1Very high37 Ų3740.7 Ų40.720%0.19821%0.206CC..EExtended strand (participates in β ladder)trans-71128.4163.6176.2-83.5000108.8E58 T59 L60 N61 L63N56-E58 PolarHBondContact O-N 3.17Å; N56-E58 PolarHBondContact OD1-N 3.42Å; N56-E58 VanDerWaalsContact OD1-N 3.12Å; N56-T59 WeakPolarHBondContact CB-OG1 3.29Å; N56-T59 VanDerWaalsContact CG-OG1 3.25Å; N56-T59 PolarHBondContact OD1-N 2.93Å; N56-T59 PolarHBondContact OD1-OG1 3.02Å; N56-L60 WeakPolarHBondContact O-CA 3.45Å; N56-L60 PolarHBondContact O-N 2.87Å; N56-N61 PolarHBondContact N-O 2.9Å; N56-L63 HydrophobicContact CB-CD1 4.12Å; N56-L63 HydrophobicContact CB-CD2 4.28Å; N56-L63 HydrophobicContact CB-CG 4.35Å
57R91.4Very high93.8Very high5 Ų543.4 Ų43.42%0.01923%0.225CC..THydrogen-bonded Turntrans-67.4-31.5-171.4-176.7164.3166.8-116.9-32.3114.8R41 V43 D331 D334R41-R57 HydrophobicContact CB-CB 3.71Å; R41-R57 HydrophobicContact CB-CG 4.36Å; R41-R57 VanDerWaalsContact O-CB 3.25Å; R41-R57 WeakPolarHBondContact O-CB 3.39Å; R41-R57 PolarHBondContact O-N 3.48Å; V43-R57 HydrophobicContact CG2-CB 3.63Å; V43-R57 HydrophobicContact CG2-CG 3.62Å; R57-D331 IonicContact CZ-OD2 3.67Å; R57-D331 IonicContact NE-OD2 3.37Å; R57-D331 IonicContact NH1-OD2 3.95Å; R57-D331 PolarHBondContact NH1-OD2 2.83Å; R57-D331 IonicContact NH2-OD1 3.74Å; R57-D331 IonicContact NH2-OD2 3.93Å; R57-D331 PolarHBondContact NH2-OD2 3.05Å; R57-D334 IonicContact CZ-OD2 3.81Å; R57-D334 IonicContact NH1-OD2 3.44Å; R57-D334 IonicContact NH2-OD2 3.28Å; R57-D334 PolarHBondContact NH2-OD2 2.83Å
58E89.9Confident93Very high101 Ų10143.3 Ų43.347%0.47222%0.224SC..THydrogen-bonded Turntrans-86.1-37.5-177.2-62.9-172.5171.100112.7N56N56-E58 PolarHBondContact O-N 3.17Å; N56-E58 PolarHBondContact OD1-N 3.42Å; N56-E58 VanDerWaalsContact OD1-N 3.12Å
59T92.2Very high92.2Very high54 Ų5443.7 Ų43.733%0.33123%0.226SC..THydrogen-bonded Turntrans-97.2-20.2-174.460.10000112.9N56 N61N56-T59 WeakPolarHBondContact CB-OG1 3.29Å; N56-T59 VanDerWaalsContact CG-OG1 3.25Å; N56-T59 PolarHBondContact OD1-N 2.93Å; N56-T59 PolarHBondContact OD1-OG1 3.02Å; T59-N61 PolarHBondContact O-N 2.82Å; T59-N61 WeakPolarHBondContact OG1-CB 3.33Å; T59-N61 PolarHBondContact OG1-N 3.04Å; T59-N61 PolarHBondContact OG1-ND2 3.37Å
60L95.1Very high91.7Very high2 Ų245.8 Ų45.81%0.0124%0.239CC..  trans55.324.4-166.8-54.7-171.8000113.6K15 N56 F62 L338 L346 L348K15-L60 HydrophobicContact CB-CB 4.45Å; K15-L60 HydrophobicContact CB-CD1 3.8Å; K15-L60 HydrophobicContact CB-CG 3.92Å; N56-L60 WeakPolarHBondContact O-CA 3.45Å; N56-L60 PolarHBondContact O-N 2.87Å; L60-F62 PolarHBondContact O-N 2.78Å; L60-L338 HydrophobicContact CD2-CD2 3.86Å; L60-L346 HydrophobicContact CD1-CG 4.25Å; L60-L346 WeakPolarHBondContact CD1-O 3.46Å; L60-L346 HydrophobicContact CD2-CD2 3.86Å; L60-L346 HydrophobicContact CD2-CG 4.24Å; L60-L348 HydrophobicContact CD1-CB 3.78Å; L60-L348 HydrophobicContact CD2-CB 4.35Å; L60-L348 HydrophobicContact CG-CB 4.19Å
61N94.3Very high91.3Very high96 Ų9642.4 Ų42.451%0.51323%0.226SC..  trans-69.7130.6170.5-71.6-13.7000109.2Y55 N56 T59 L63Y55-N61 CarbonylContact C-O 3.56Å; Y55-N61 VanDerWaalsContact CA-O 3.29Å; Y55-N61 WeakPolarHBondContact CA-O 3.47Å; N56-N61 PolarHBondContact N-O 2.9Å; T59-N61 PolarHBondContact O-N 2.82Å; T59-N61 WeakPolarHBondContact OG1-CB 3.33Å; T59-N61 PolarHBondContact OG1-N 3.04Å; T59-N61 PolarHBondContact OG1-ND2 3.37Å; N61-L63 PolarHBondContact O-N 3.05Å
62F94.8Very high91.2Very high98 Ų9846.6 Ų46.643%0.4325%0.247SC..EExtended strand (participates in β ladder)trans-61.1133.8171.5173.9-99.4000110.2R53 Y55 L60 R64 E65R53-F62 HydrophobicContact CB-CE2 4.28Å; R53-F62 HydrophobicContact CG-CE2 4.21Å; Y55-F62 HydrophobicContact CD1-CB 4.09Å; Y55-F62 HydrophobicContact CE1-CB 3.89Å; Y55-F62 HydrophobicContact CE1-CD2 4.04Å; Y55-F62 HydrophobicContact CE1-CG 4.49Å; L60-F62 PolarHBondContact O-N 2.78Å; F62-R64 WeakPolarHBondContact CE2-O 3.45Å; F62-R64 VanDerWaalsContact CZ-C 3.42Å; F62-E65 HydrophobicContact CE2-CB 4.03Å; F62-E65 HydrophobicContact CZ-CB 3.79Å
63L93.4Very high91.2Very high73 Ų7346.9 Ų46.938%0.38225%0.248SC..EExtended strand (participates in β ladder)trans-112.8-53.4179.9-58.8178.3000111.1F42 V54 N56 N61F42-L63 HydrophobicContact CD1-CD1 3.57Å; F42-L63 HydrophobicContact CE1-CD1 3.59Å; V54-L63 HydrophobicContact CG1-CD1 4.48Å; V54-L63 WeakPolarHBondContact O-CB 3.13Å; V54-L63 PolarHBondContact O-N 2.79Å; N56-L63 HydrophobicContact CB-CD1 4.12Å; N56-L63 HydrophobicContact CB-CD2 4.28Å; N56-L63 HydrophobicContact CB-CG 4.35Å; N61-L63 PolarHBondContact O-N 3.05Å
64R92.9Very high91.1Very high90 Ų9048.7 Ų48.734%0.3426%0.259SS..EExtended strand (participates in β ladder)trans-152.9160.5-172.7-58.8-170.9-155.4-9512.7112.1V54 F62 Y66 I100 R101V54-R64 PolarHBondContact N-O 2.8Å; V54-R64 PolarHBondContact O-N 3.09Å; F62-R64 WeakPolarHBondContact CE2-O 3.45Å; F62-R64 VanDerWaalsContact CZ-C 3.42Å; R64-Y66 HydrophobicContact CB-CE2 4.14Å; R64-Y66 WeakPolarHBondContact CD-OH 3.45Å; R64-I100 VanDerWaalsContact CZ-O 3.27Å; R64-I100 PolarHBondContact NE-O 3.26Å; R64-I100 PolarHBondContact NH2-O 2.92Å; R64-I100 VanDerWaalsContact NH2-O 3.13Å; R64-R101 PolarHBondContact NH2-O 3.38Å
65E93.9Very high91Very high72 Ų7248.8 Ų48.834%0.33626%0.26SS..EExtended strand (participates in β ladder)trans-132.5140.3171.1-176.9166.9-137.600109.7S51 I52 R53 F62 Q105S51-E65 WeakPolarHBondContact CB-OE1 3.4Å; S51-E65 PolarHBondContact OG-OE1 3.08Å; I52-E65 CarbonylContact O-C 3.55Å; I52-E65 VanDerWaalsContact O-CA 3.25Å; I52-E65 WeakPolarHBondContact O-CA 3.43Å; R53-E65 HydrophobicContact CG-CB 4.4Å; R53-E65 HydrophobicContact CG-CG 4.06Å; R53-E65 IonicContact CZ-OE1 3.79Å; R53-E65 IonicContact NE-OE1 3.01Å; R53-E65 PolarHBondContact NE-OE1 2.92Å; R53-E65 IonicContact NH2-OE1 2.96Å; F62-E65 HydrophobicContact CE2-CB 4.03Å; F62-E65 HydrophobicContact CZ-CB 3.79Å; E65-Q105 PolarHBondContact O-NE2 2.85Å; E65-Q105 PolarHBondContact O-OE1 2.9Å
66Y93.8Very high91.1Very high4 Ų448.2 Ų48.22%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-120.3134.6175-61.3-82.1000109.4S51 I52 V54 R64 W98 I100 L102 T104S51-Y66 CarbonylContact C-O 3.55Å; S51-Y66 VanDerWaalsContact CA-O 3.23Å; S51-Y66 WeakPolarHBondContact CA-O 3.03Å; S51-Y66 WeakPolarHBondContact CB-O 3.5Å; I52-Y66 PolarHBondContact N-O 2.71Å; I52-Y66 PolarHBondContact O-N 3.44Å; V54-Y66 HydrophobicContact CG2-CD2 4.26Å; V54-Y66 HydrophobicContact CG2-CE2 3.97Å; R64-Y66 HydrophobicContact CB-CE2 4.14Å; R64-Y66 WeakPolarHBondContact CD-OH 3.45Å; Y66-W98 HydrophobicContact CD1-CD2 4.25Å; Y66-W98 AromaticContact CD1-CE3 3.62Å; Y66-W98 HydrophobicContact CD1-CE3 3.62Å; Y66-W98 HydrophobicContact CD1-CZ3 4.13Å; Y66-W98 HydrophobicContact CE1-CE3 4.39Å; Y66-W98 HydrophobicContact CG-CD2 4.24Å; Y66-W98 HydrophobicContact CG-CE3 4.02Å; Y66-I100 HydrophobicContact CE2-CG2 4.16Å; Y66-I100 VanDerWaalsContact OH-CA 3.29Å; Y66-I100 WeakPolarHBondContact OH-CA 3.41Å; Y66-L102 PolarHBondContact OH-O 2.99Å; Y66-T104 WeakPolarHBondContact CE1-O 3.38Å
67S90.6Very high91.3Very high58 Ų5848 Ų4841%0.40625%0.254SS..EExtended strand (participates in β ladder)trans-89.2123.4173.3-173.50000110.8C69 W98S67-C69 PolarHBondContact OG-SG 2.93Å; S67-C69 VanDerWaalsContact OG-SG 3.33Å; S67-W98 VanDerWaalsContact O-CH2 3.3Å; S67-W98 WeakPolarHBondContact O-CH2 3.4Å
68S79.1Confident91.5Very high0 Ų047.9 Ų47.90%025%0.254CS..  trans-98.813.1176.4-168.30000113.1K50 L73 C90 K96K50-S68 PolarHBondContact O-N 2.8Å; K50-S68 VanDerWaalsContact O-N 3.11Å; S68-L73 WeakPolarHBondContact OG-CD2 3.14Å; S68-C90 PolarHBondContact O-SG 3.3Å; S68-C90 VanDerWaalsContact O-SG 3.34Å; S68-K96 PolarHBondContact O-NZ 2.91Å
69C78.1Confident91.7Very high65 Ų6543.2 Ų43.244%0.43923%0.233SC..THydrogen-bonded Turntrans-47.7152.7177.7-750000113.2S67 K96S67-C69 PolarHBondContact OG-SG 2.93Å; S67-C69 VanDerWaalsContact OG-SG 3.33Å; C69-K96 PolarHBondContact O-NZ 2.78Å
70P82.8Confident91.6Very high97 Ų9743.1 Ų43.163%0.6323%0.228SC*.THydrogen-bonded Turncis-88-16.68.133.1-36.2000117.1K50 D92K50-P70 PolarHBondContact NZ-O 2.95Å; P70-D92 WeakPolarHBondContact CD-OD2 3.4Å; P70-D92 HydrophobicContact CG-CB 4.32Å
71G85.1Confident91.2Very high8 Ų848 Ų488%0.08226%0.259CS..SBendtrans-80.4178.2-173.800000115.3K50 C90 S91K50-G71 WeakPolarHBondContact CD-O 3.29Å; G71-C90 WeakPolarHBondContact CA-SG 3.25Å; G71-S91 WeakPolarHBondContact CA-OG 3.17Å
72I91.9Very high90.9Very high95 Ų9545.3 Ų45.349%0.48725%0.247SC..  trans-82.8140174.2-60.7172.4000108.5C90 S91I72-C90 CarbonylContact O-C 3.57Å; I72-C90 VanDerWaalsContact O-CA 3.29Å; I72-C90 WeakPolarHBondContact O-CA 3.48Å; I72-S91 PolarHBondContact N-OG 2.87Å; I72-S91 PolarHBondContact O-N 2.88Å
73L94.5Very high90.5Very high6 Ų641.9 Ų41.93%0.03123%0.233CC..BIsolated β-bridgetrans-76.7127.1175.2-80.9172.2000110.7S51 I52 S68S51-L73 VanDerWaalsContact C-CD1 3.42Å; S51-L73 VanDerWaalsContact O-CD1 3.23Å; S51-L73 WeakPolarHBondContact O-CD1 3.34Å; I52-L73 HydrophobicContact CD1-CD2 4.49Å; I52-L73 HydrophobicContact CG1-CD1 3.78Å; I52-L73 HydrophobicContact CG1-CD2 4.24Å; S68-L73 WeakPolarHBondContact OG-CD2 3.14Å
74N94.4Very high90.3Very high48 Ų4838.5 Ų38.526%0.25722%0.216SC..  trans-117.630.1-179.2-71.8-45.5000112.5A89 F119N74-A89 PolarHBondContact N-O 2.91Å; N74-F119 PolarHBondContact ND2-O 2.86Å
75G93.9Very high90.3Very high4 Ų435.4 Ų35.44%0.04121%0.207CC..  trans145.5170.4167.900000112.9D28 F122D28-G75 VanDerWaalsContact OD2-CA 3.28Å; D28-G75 WeakPolarHBondContact OD2-CA 3.48Å; G75-F122 VanDerWaalsContact C-CE1 3.44Å
76V97.4Very high90.4Very high0 Ų032.1 Ų32.10%019%0.191CC..  trans-144.1133172.464.40000110.4D28 D30 A44 I52 V86 F87D28-V76 HydrophobicContact CB-CG1 4.29Å; D28-V76 PolarHBondContact OD2-N 2.92Å; D30-V76 WeakPolarHBondContact CB-O 3.44Å; A44-V76 HydrophobicContact CB-CG2 3.69Å; I52-V76 HydrophobicContact CG2-CG2 3.93Å; V76-V86 HydrophobicContact CG2-CG1 3.44Å; V76-V86 VanDerWaalsContact CG2-CG1 3.44Å; V76-F87 WeakPolarHBondContact CA-O 3.26Å
77R97.3Very high90.5Very high32 Ų3232.2 Ų32.212%0.12119%0.192CC..EExtended strand (participates in β ladder)trans-136.6134.1178.9-64.9-67.4177.3-89.4-8.2111.2D28 D30 V86 F87 F122 D123 I124D28-R77 IonicContact OD1-NH1 3.68Å; D28-R77 IonicContact OD2-CZ 2.74Å; D28-R77 IonicContact OD2-NH1 3.45Å; D28-R77 PolarHBondContact OD2-NH1 2.96Å; D28-R77 IonicContact OD2-NH2 2.73Å; D30-R77 VanDerWaalsContact OD2-CA 3.24Å; D30-R77 WeakPolarHBondContact OD2-CA 3.11Å; R77-V86 CarbonylContact O-C 3.57Å; R77-V86 WeakPolarHBondContact O-CA 3.45Å; R77-F87 PolarHBondContact N-O 2.97Å; R77-F87 PolarHBondContact O-N 2.72Å; R77-F122 HydrophobicContact CB-CE2 4.16Å; R77-F122 HydrophobicContact CB-CZ 4.1Å; R77-F122 HydrophobicContact CG-CE2 4.08Å; R77-F122 HydrophobicContact CG-CZ 3.89Å; R77-D123 IonicContact NE-OD1 3.09Å; R77-I124 HydrophobicContact CB-CG2 4.28Å
78F95.6Very high90.8Very high3 Ų329.5 Ų29.51%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-73.4151.5164.3-81.5-87.9000110.1D30 S32 F42 A44 D83 V85 V86 I100D30-F78 HydrophobicContact CB-CD2 4.26Å; D30-F78 WeakPolarHBondContact O-CE2 3.45Å; D30-F78 PolarHBondContact OD2-N 3.14Å; S32-F78 VanDerWaalsContact N-CD2 3.33Å; F42-F78 HydrophobicContact CB-CE1 3.97Å; F42-F78 HydrophobicContact CB-CZ 3.6Å; A44-F78 HydrophobicContact CB-CD2 4.2Å; A44-F78 HydrophobicContact CB-CE2 3.39Å; A44-F78 HydrophobicContact CB-CZ 3.74Å; F78-D83 WeakPolarHBondContact CD1-O 3.17Å; F78-D83 WeakPolarHBondContact CE1-O 3.36Å; F78-V85 WeakPolarHBondContact CA-O 3.19Å; F78-V86 HydrophobicContact CD1-CG2 3.54Å; F78-V86 HydrophobicContact CD2-CG2 4.48Å; F78-V86 HydrophobicContact CE1-CG2 3.31Å; F78-V86 HydrophobicContact CE2-CG2 4.31Å; F78-V86 HydrophobicContact CG-CG2 4.14Å; F78-V86 HydrophobicContact CZ-CG2 3.73Å; F78-I100 HydrophobicContact CE1-CD1 4.06Å
79A94.3Very high91.6Very high3 Ų329.5 Ų29.53%0.02517%0.173CC..  trans-63.9141.6160.700000109.4C82 V85 F87 D128A79-C82 HydrophobicContact CB-CB 4.19Å; A79-C82 WeakPolarHBondContact CB-O 3.26Å; A79-V85 HydrophobicContact CB-CB 3.85Å; A79-V85 HydrophobicContact CB-CG1 4.05Å; A79-V85 PolarHBondContact N-O 2.96Å; A79-F87 HydrophobicContact CB-CE2 3.96Å; A79-D128 WeakPolarHBondContact CA-OD1 3.16Å
80H91Very high92.4Very high51 Ų5126.4 Ų26.424%0.23615%0.152CC..SBendtrans-73.7-29.8-178.4-63.1-78.4000112.9K33 I124 N125 D128K33-H80 HydrophobicContact CD-CB 4.27Å; K33-H80 VanDerWaalsContact CE-ND1 3.34Å; K33-H80 WeakPolarHBondContact CE-ND1 3.47Å; K33-H80 PolarHBondContact NZ-ND1 3.29Å; H80-I124 PolarHBondContact NE2-O 3.48Å; H80-N125 PolarHBondContact CD2-O 2.85Å; H80-D128 IonicContact CD2-OD1 2.76Å; H80-D128 PolarHBondContact CD2-OD1 3.3Å; H80-D128 VanDerWaalsContact CD2-OD1 3.28Å; H80-D128 IonicContact CG-OD1 2.74Å; H80-D128 VanDerWaalsContact N-CG 3.26Å; H80-D128 PolarHBondContact N-OD1 2.89Å; H80-D128 PolarHBondContact N-OD2 3.45Å
81T87.4Confident93Very high105 Ų10523.3 Ų23.364%0.64413%0.132SC*.SBendtrans-103.4-14.7-176.166.50000113.1D128T81-D128 WeakPolarHBondContact CA-OD2 3.14Å; T81-D128 VanDerWaalsContact CB-OD2 3.26Å; T81-D128 WeakPolarHBondContact CB-OD2 3.33Å; T81-D128 WeakPolarHBondContact CG2-OD2 3.34Å; T81-D128 PolarHBondContact N-OD2 3.05Å; T81-D128 PolarHBondContact OG1-OD2 3.32Å
82C87.1Confident93.4Very high39 Ų3925.3 Ų25.326%0.26414%0.141SC..  trans-133.6102.6-179.8-165.80000111.8A79 S84 V85A79-C82 HydrophobicContact CB-CB 4.19Å; A79-C82 WeakPolarHBondContact CB-O 3.26Å; C82-S84 PolarHBondContact O-N 3.22Å; C82-S84 PolarHBondContact SG-OG 2.89Å; C82-V85 HydrophobicContact CB-CB 4.33Å; C82-V85 HydrophobicContact CB-CG2 4.12Å; C82-V85 PolarHBondContact O-N 3.42Å; C82-V85 VanDerWaalsContact O-N 3.1Å
83D87.3Confident93.5Very high27 Ų2721.1 Ų21.114%0.14412%0.122CC..THydrogen-bonded Turntrans-59.7-18-178.668.3-15.6000115.5S39 F78S39-D83 WeakPolarHBondContact CB-OD2 3.23Å; S39-D83 PolarHBondContact OG-OD2 3.27Å; F78-D83 WeakPolarHBondContact CD1-O 3.17Å; F78-D83 WeakPolarHBondContact CE1-O 3.36Å
84S89Confident93.6Very high2 Ų221.9 Ų21.91%0.01413%0.126CC..THydrogen-bonded Turntrans-93.7-4.5-178.862.60000114.4C82 D99 I100 R101C82-S84 PolarHBondContact O-N 3.22Å; C82-S84 PolarHBondContact SG-OG 2.89Å; S84-D99 CarbonylContact O-C 3.49Å; S84-D99 WeakPolarHBondContact O-CA 3.34Å; S84-I100 WeakPolarHBondContact O-CG1 3.2Å; S84-I100 PolarHBondContact O-N 3.2Å; S84-R101 PolarHBondContact OG-NE 3.04Å
85V93Very high93.6Very high25 Ų2519.6 Ų19.615%0.15211%0.114CC..EExtended strand (participates in β ladder)trans-106.9128.7-177.6175.50000110F78 A79 C82 F87 C97 W98F78-V85 WeakPolarHBondContact CA-O 3.19Å; A79-V85 HydrophobicContact CB-CB 3.85Å; A79-V85 HydrophobicContact CB-CG1 4.05Å; A79-V85 PolarHBondContact N-O 2.96Å; C82-V85 HydrophobicContact CB-CB 4.33Å; C82-V85 HydrophobicContact CB-CG2 4.12Å; C82-V85 PolarHBondContact O-N 3.42Å; C82-V85 VanDerWaalsContact O-N 3.1Å; V85-F87 HydrophobicContact CG1-CD2 4.3Å; V85-F87 HydrophobicContact CG1-CE2 3.64Å; V85-F87 HydrophobicContact CG1-CZ 3.76Å; V85-C97 WeakPolarHBondContact CG1-SG 3.26Å; V85-W98 WeakPolarHBondContact CA-O 3.43Å
86V95.4Very high93.7Very high2 Ų220.2 Ų20.21%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-124.2139.4176.9177.40000109.3A44 I52 V76 R77 F78 C97 W98 I100A44-V86 HydrophobicContact CB-CG1 4.17Å; A44-V86 HydrophobicContact CB-CG2 4.31Å; I52-V86 HydrophobicContact CG2-CG1 4.5Å; V76-V86 HydrophobicContact CG2-CG1 3.44Å; V76-V86 VanDerWaalsContact CG2-CG1 3.44Å; R77-V86 CarbonylContact O-C 3.57Å; R77-V86 WeakPolarHBondContact O-CA 3.45Å; F78-V86 HydrophobicContact CD1-CG2 3.54Å; F78-V86 HydrophobicContact CD2-CG2 4.48Å; F78-V86 HydrophobicContact CE1-CG2 3.31Å; F78-V86 HydrophobicContact CE2-CG2 4.31Å; F78-V86 HydrophobicContact CG-CG2 4.14Å; F78-V86 HydrophobicContact CZ-CG2 3.73Å; V86-C97 CarbonylContact O-C 3.57Å; V86-C97 WeakPolarHBondContact O-CA 3.31Å; V86-W98 HydrophobicContact CB-CB 4.47Å; V86-W98 PolarHBondContact N-O 3.28Å; V86-W98 VanDerWaalsContact O-CD1 3.32Å; V86-W98 PolarHBondContact O-N 3.01Å; V86-I100 HydrophobicContact CB-CG2 4.41Å; V86-I100 HydrophobicContact CG2-CG2 3.72Å
87F96.6Very high93.6Very high7 Ų720.3 Ų20.33%0.03112%0.116CC..EExtended strand (participates in β ladder)trans-112.3150.5173.4-61.4-86.8000110.6V76 R77 A79 V85 K96 C97 F111 F122 I124 I131V76-F87 WeakPolarHBondContact CA-O 3.26Å; R77-F87 PolarHBondContact N-O 2.97Å; R77-F87 PolarHBondContact O-N 2.72Å; A79-F87 HydrophobicContact CB-CE2 3.96Å; V85-F87 HydrophobicContact CG1-CD2 4.3Å; V85-F87 HydrophobicContact CG1-CE2 3.64Å; V85-F87 HydrophobicContact CG1-CZ 3.76Å; F87-K96 CarbonylContact C-O 3.44Å; F87-K96 VanDerWaalsContact CA-O 3.29Å; F87-K96 WeakPolarHBondContact CA-O 3.26Å; F87-C97 HydrophobicContact CD1-CB 3.82Å; F87-C97 HydrophobicContact CE1-CB 3.68Å; F87-C97 WeakPolarHBondContact CE1-SG 3.16Å; F87-F111 HydrophobicContact CD1-CE2 4.16Å; F87-F111 AromaticContact CE1-CE2 3.89Å; F87-F111 HydrophobicContact CE1-CE2 3.89Å; F87-F111 HydrophobicContact CE1-CZ 4.22Å; F87-F122 HydrophobicContact CB-CE2 3.71Å; F87-F122 HydrophobicContact CB-CZ 4.18Å; F87-I124 HydrophobicContact CD2-CD1 3.92Å; F87-I124 HydrophobicContact CE1-CD1 4.48Å; F87-I124 HydrophobicContact CE2-CD1 3.35Å; F87-I124 HydrophobicContact CZ-CD1 3.68Å; F87-I131 HydrophobicContact CD1-CD1 3.81Å; F87-I131 HydrophobicContact CE1-CD1 3.69Å; F87-I131 HydrophobicContact CZ-CD1 4.35Å
88S96.9Very high93.4Very high0 Ų019.1 Ų19.10%011%0.112CC..EExtended strand (participates in β ladder)trans-146.8129.1174.460.60000111.1I52 I95 K96 W98I52-S88 WeakPolarHBondContact CD1-OG 3.49Å; S88-I95 CarbonylContact O-C 3.51Å; S88-I95 WeakPolarHBondContact O-CA 3.41Å; S88-K96 PolarHBondContact N-O 2.97Å; S88-K96 PolarHBondContact O-N 3.49Å; S88-W98 PolarHBondContact OG-NE1 2.84Å
89A95.9Very high93.3Very high0 Ų020 Ų200%012%0.117CC..EExtended strand (participates in β ladder)trans-86146.7168.800000111.4N74 I95 F119 F122N74-A89 PolarHBondContact N-O 2.91Å; A89-I95 HydrophobicContact CB-CG1 4.21Å; A89-F119 HydrophobicContact CB-CB 4.4Å; A89-F122 HydrophobicContact CB-CB 3.85Å; A89-F122 HydrophobicContact CB-CD1 3.15Å; A89-F122 HydrophobicContact CB-CD2 4.46Å; A89-F122 HydrophobicContact CB-CE1 3.75Å; A89-F122 HydrophobicContact CB-CG 3.56Å; A89-F122 VanDerWaalsContact N-CE1 3.27Å
90C94.3Very high93.2Very high0 Ų020.1 Ų20.10%012%0.117CC..EExtended strand (participates in β ladder)trans-132.9143.1-176.8-171.60000109.9S68 G71 I72 D92 G93 T94S68-C90 PolarHBondContact O-SG 3.3Å; S68-C90 VanDerWaalsContact O-SG 3.34Å; G71-C90 WeakPolarHBondContact CA-SG 3.25Å; I72-C90 CarbonylContact O-C 3.57Å; I72-C90 VanDerWaalsContact O-CA 3.29Å; I72-C90 WeakPolarHBondContact O-CA 3.48Å; C90-D92 WeakPolarHBondContact CB-OD1 3.17Å; C90-D92 PolarHBondContact O-N 3.14Å; C90-D92 PolarHBondContact SG-OD1 3.37Å; C90-D92 VanDerWaalsContact SG-OD1 3.34Å; C90-D92 PolarHBondContact SG-OD2 3.29Å; C90-G93 PolarHBondContact O-N 3.18Å; C90-T94 WeakPolarHBondContact CB-O 3.29Å; C90-T94 PolarHBondContact N-O 2.86Å
91S95.3Very high93Very high32 Ų3225.3 Ų25.322%0.22413%0.134CC..THydrogen-bonded Turntrans-65.4-1.6176.878.90000113.7G71 I72 G93G71-S91 WeakPolarHBondContact CA-OG 3.17Å; I72-S91 PolarHBondContact N-OG 2.87Å; I72-S91 PolarHBondContact O-N 2.88Å; S91-G93 PolarHBondContact O-N 3.36Å
92D93.6Very high93Very high51 Ų5124 Ų2427%0.27312%0.123SC..THydrogen-bonded Turntrans-82.29.1172.866.37000113.1P70 C90 T94 K96P70-D92 WeakPolarHBondContact CD-OD2 3.4Å; P70-D92 HydrophobicContact CG-CB 4.32Å; C90-D92 WeakPolarHBondContact CB-OD1 3.17Å; C90-D92 PolarHBondContact O-N 3.14Å; C90-D92 PolarHBondContact SG-OD1 3.37Å; C90-D92 VanDerWaalsContact SG-OD1 3.34Å; C90-D92 PolarHBondContact SG-OD2 3.29Å; D92-T94 VanDerWaalsContact C-N 3.34Å; D92-T94 WeakPolarHBondContact OD1-CB 3.1Å; D92-T94 PolarHBondContact OD1-N 3.29Å; D92-T94 PolarHBondContact OD1-OG1 3.39Å; D92-T94 PolarHBondContact OD2-OG1 3.43Å; D92-K96 IonicContact OD2-NZ 2.95Å; D92-K96 PolarHBondContact OD2-NZ 2.83Å
93G94Very high92.8Very high7 Ų726.1 Ų26.17%0.07214%0.144CC..THydrogen-bonded Turntrans77.221.9-178.800000112.9C90 S91 G113 N117 F119C90-G93 PolarHBondContact O-N 3.18Å; S91-G93 PolarHBondContact O-N 3.36Å; G93-G113 PolarHBondContact O-N 2.8Å; G93-N117 WeakPolarHBondContact CA-O 3.38Å; G93-F119 VanDerWaalsContact C-CD2 3.43Å; G93-F119 WeakPolarHBondContact O-CE2 3.22Å
94T95.3Very high92.8Very high21 Ų2127.6 Ų27.613%0.12915%0.153CC..EExtended strand (participates in β ladder)trans-125.7148.9177.172.70000113.3C90 D92 K96 I110 F111C90-T94 WeakPolarHBondContact CB-O 3.29Å; C90-T94 PolarHBondContact N-O 2.86Å; D92-T94 VanDerWaalsContact C-N 3.34Å; D92-T94 WeakPolarHBondContact OD1-CB 3.1Å; D92-T94 PolarHBondContact OD1-N 3.29Å; D92-T94 PolarHBondContact OD1-OG1 3.39Å; D92-T94 PolarHBondContact OD2-OG1 3.43Å; T94-K96 VanDerWaalsContact OG1-CE 3.28Å; T94-K96 WeakPolarHBondContact OG1-CE 3.36Å; T94-I110 HydrophobicContact CG2-CG2 4.11Å; T94-F111 CarbonylContact C-O 3.48Å; T94-F111 VanDerWaalsContact CA-O 3.27Å; T94-F111 WeakPolarHBondContact CA-O 3.26Å
95I96.2Very high92.8Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-110.3129162.8-51.4169.1000106.7S88 A89 F111 F119 F122 I131 A133 W147S88-I95 CarbonylContact O-C 3.51Å; S88-I95 WeakPolarHBondContact O-CA 3.41Å; A89-I95 HydrophobicContact CB-CG1 4.21Å; I95-F111 HydrophobicContact CB-CB 4.14Å; I95-F111 HydrophobicContact CB-CD2 4.14Å; I95-F111 HydrophobicContact CG2-CD2 4.31Å; I95-F111 PolarHBondContact N-O 3.25Å; I95-F111 WeakPolarHBondContact O-CD2 3.4Å; I95-F111 PolarHBondContact O-N 2.88Å; I95-F119 HydrophobicContact CG1-CD2 4.1Å; I95-F119 HydrophobicContact CG1-CE2 4.27Å; I95-F122 HydrophobicContact CD1-CB 4.33Å; I95-F122 HydrophobicContact CG2-CD2 4.19Å; I95-F122 HydrophobicContact CG2-CE2 4.3Å; I95-I131 HydrophobicContact CD1-CG2 3.33Å; I95-A133 HydrophobicContact CD1-CB 3.69Å; I95-A133 HydrophobicContact CG1-CB 4.44Å; I95-W147 HydrophobicContact CD1-CE3 4.02Å; I95-W147 HydrophobicContact CD1-CH2 4.12Å; I95-W147 HydrophobicContact CD1-CZ3 3.65Å
96K95.3Very high92.6Very high18 Ų1839.4 Ų39.48%0.07820%0.204CC..EExtended strand (participates in β ladder)trans-109.7136.2-177.2-68168.6-174.21520109.3S68 C69 F87 S88 D92 T94 W98 A107S68-K96 PolarHBondContact O-NZ 2.91Å; C69-K96 PolarHBondContact O-NZ 2.78Å; F87-K96 CarbonylContact C-O 3.44Å; F87-K96 VanDerWaalsContact CA-O 3.29Å; F87-K96 WeakPolarHBondContact CA-O 3.26Å; S88-K96 PolarHBondContact N-O 2.97Å; S88-K96 PolarHBondContact O-N 3.49Å; D92-K96 IonicContact OD2-NZ 2.95Å; D92-K96 PolarHBondContact OD2-NZ 2.83Å; T94-K96 VanDerWaalsContact OG1-CE 3.28Å; T94-K96 WeakPolarHBondContact OG1-CE 3.36Å; K96-W98 HydrophobicContact CB-CH2 4.42Å; K96-W98 HydrophobicContact CB-CZ2 3.54Å; K96-W98 HydrophobicContact CD-CH2 4.12Å; K96-W98 HydrophobicContact CD-CZ2 3.68Å; K96-W98 HydrophobicContact CG-CZ2 4.16Å; K96-W98 PolarHBondContact O-NE1 3.28Å; K96-A107 HydrophobicContact CB-CB 3.97Å; K96-A107 HydrophobicContact CG-CB 4.22Å
97C94.8Very high92.4Very high2 Ų240.4 Ų40.41%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-105.2136.4174-175.80000109.7V85 V86 F87 A107 V108 Q109 F111V85-C97 WeakPolarHBondContact CG1-SG 3.26Å; V86-C97 CarbonylContact O-C 3.57Å; V86-C97 WeakPolarHBondContact O-CA 3.31Å; F87-C97 HydrophobicContact CD1-CB 3.82Å; F87-C97 HydrophobicContact CE1-CB 3.68Å; F87-C97 WeakPolarHBondContact CE1-SG 3.16Å; C97-A107 CarbonylContact O-C 3.46Å; C97-A107 VanDerWaalsContact O-CA 3.26Å; C97-A107 WeakPolarHBondContact O-CA 3.48Å; C97-A107 WeakPolarHBondContact O-CB 3.22Å; C97-V108 HydrophobicContact CB-CG2 4.04Å; C97-V108 WeakPolarHBondContact O-CG2 3.31Å; C97-V108 PolarHBondContact O-N 3.12Å; C97-Q109 HydrophobicContact CB-CB 3.82Å; C97-Q109 PolarHBondContact N-O 2.74Å; C97-F111 HydrophobicContact CB-CE2 4.23Å
98W93.9Very high92.1Very high6 Ų642.7 Ų42.72%0.02323%0.227CC..EExtended strand (participates in β ladder)trans-128.7131.7-174.2-47.594.5000109.6I52 Y66 S67 V85 V86 S88 K96 A107I52-W98 HydrophobicContact CD1-CZ2 4.4Å; I52-W98 VanDerWaalsContact CD1-NE1 3.28Å; Y66-W98 HydrophobicContact CD1-CD2 4.25Å; Y66-W98 AromaticContact CD1-CE3 3.62Å; Y66-W98 HydrophobicContact CD1-CE3 3.62Å; Y66-W98 HydrophobicContact CD1-CZ3 4.13Å; Y66-W98 HydrophobicContact CE1-CE3 4.39Å; Y66-W98 HydrophobicContact CG-CD2 4.24Å; Y66-W98 HydrophobicContact CG-CE3 4.02Å; S67-W98 VanDerWaalsContact O-CH2 3.3Å; S67-W98 WeakPolarHBondContact O-CH2 3.4Å; V85-W98 WeakPolarHBondContact CA-O 3.43Å; V86-W98 HydrophobicContact CB-CB 4.47Å; V86-W98 PolarHBondContact N-O 3.28Å; V86-W98 VanDerWaalsContact O-CD1 3.32Å; V86-W98 PolarHBondContact O-N 3.01Å; S88-W98 PolarHBondContact OG-NE1 2.84Å; K96-W98 HydrophobicContact CB-CH2 4.42Å; K96-W98 HydrophobicContact CB-CZ2 3.54Å; K96-W98 HydrophobicContact CD-CH2 4.12Å; K96-W98 HydrophobicContact CD-CZ2 3.68Å; K96-W98 HydrophobicContact CG-CZ2 4.16Å; K96-W98 PolarHBondContact O-NE1 3.28Å; W98-A107 HydrophobicContact CD2-CB 4.49Å; W98-A107 HydrophobicContact CE3-CB 4.19Å; W98-A107 HydrophobicContact CH2-CB 4.16Å; W98-A107 HydrophobicContact CZ2-CB 4.46Å; W98-A107 HydrophobicContact CZ3-CB 4.02Å
99D92.1Very high91.9Very high22 Ų2244.2 Ų44.212%0.11823%0.234CC..EExtended strand (participates in β ladder)trans-96.9112167.3-176.6-25.2000108.8S84 R101 L102 V108S84-D99 CarbonylContact O-C 3.49Å; S84-D99 WeakPolarHBondContact O-CA 3.34Å; D99-R101 PolarHBondContact O-N 2.73Å; D99-R101 WeakPolarHBondContact OD1-CB 3.3Å; D99-R101 WeakPolarHBondContact OD1-CG 3.27Å; D99-R101 IonicContact OD1-CZ 2.7Å; D99-R101 PolarHBondContact OD1-N 2.76Å; D99-R101 IonicContact OD1-NE 3.15Å; D99-R101 PolarHBondContact OD1-NE 2.74Å; D99-R101 IonicContact OD1-NH2 3.8Å; D99-R101 IonicContact OD2-CZ 3.81Å; D99-R101 IonicContact OD2-NE 3.34Å; D99-R101 PolarHBondContact OD2-NE 3.43Å; D99-R101 IonicContact OD2-NH2 3.8Å; D99-R101 PolarHBondContact OD2-NH2 3.03Å; D99-L102 HydrophobicContact CB-CB 4.5Å; D99-L102 HydrophobicContact CB-CD1 3.87Å; D99-L102 HydrophobicContact CB-CG 3.9Å; D99-L102 PolarHBondContact O-N 2.93Å; D99-V108 HydrophobicContact CB-CG1 3.94Å
100I92.3Very high91.8Very high6 Ų647.2 Ų47.23%0.03125%0.25CC..THydrogen-bonded Turntrans-73.2-7-174.674.2-171.6000113.7F42 V54 R64 Y66 F78 S84 V86F42-I100 HydrophobicContact CB-CD1 4.15Å; F42-I100 HydrophobicContact CD1-CD1 4.07Å; F42-I100 HydrophobicContact CD2-CD1 3.32Å; F42-I100 HydrophobicContact CE1-CD1 4.27Å; F42-I100 HydrophobicContact CE2-CD1 3.55Å; F42-I100 HydrophobicContact CE2-CG1 4.38Å; F42-I100 HydrophobicContact CG-CD1 3.58Å; F42-I100 HydrophobicContact CZ-CD1 4.01Å; V54-I100 HydrophobicContact CG1-CD1 4.49Å; V54-I100 HydrophobicContact CG2-CG2 4.19Å; R64-I100 VanDerWaalsContact CZ-O 3.27Å; R64-I100 PolarHBondContact NE-O 3.26Å; R64-I100 PolarHBondContact NH2-O 2.92Å; R64-I100 VanDerWaalsContact NH2-O 3.13Å; Y66-I100 HydrophobicContact CE2-CG2 4.16Å; Y66-I100 VanDerWaalsContact OH-CA 3.29Å; Y66-I100 WeakPolarHBondContact OH-CA 3.41Å; F78-I100 HydrophobicContact CE1-CD1 4.06Å; S84-I100 WeakPolarHBondContact O-CG1 3.2Å; S84-I100 PolarHBondContact O-N 3.2Å; V86-I100 HydrophobicContact CB-CG2 4.41Å; V86-I100 HydrophobicContact CG2-CG2 3.72Å
101R88.6Confident91.8Very high159 Ų15947.2 Ų47.260%0.625%0.25SC*.THydrogen-bonded Turntrans-79.2-28.5171.6-57.3168.6-60.8-179.61.8110.3R64 S84 D99R64-R101 PolarHBondContact NH2-O 3.38Å; S84-R101 PolarHBondContact OG-NE 3.04Å; D99-R101 PolarHBondContact O-N 2.73Å; D99-R101 WeakPolarHBondContact OD1-CB 3.3Å; D99-R101 WeakPolarHBondContact OD1-CG 3.27Å; D99-R101 IonicContact OD1-CZ 2.7Å; D99-R101 PolarHBondContact OD1-N 2.76Å; D99-R101 IonicContact OD1-NE 3.15Å; D99-R101 PolarHBondContact OD1-NE 2.74Å; D99-R101 IonicContact OD1-NH2 3.8Å; D99-R101 IonicContact OD2-CZ 3.81Å; D99-R101 IonicContact OD2-NE 3.34Å; D99-R101 PolarHBondContact OD2-NE 3.43Å; D99-R101 IonicContact OD2-NH2 3.8Å; D99-R101 PolarHBondContact OD2-NH2 3.03Å
102L86.9Confident91.8Very high78 Ų7847 Ų4741%0.40825%0.248SC..SBendtrans-83.4133.4-180-53-178.7000110.3Y66 D99 T104 V108Y66-L102 PolarHBondContact OH-O 2.99Å; D99-L102 HydrophobicContact CB-CB 4.5Å; D99-L102 HydrophobicContact CB-CD1 3.87Å; D99-L102 HydrophobicContact CB-CG 3.9Å; D99-L102 PolarHBondContact O-N 2.93Å; L102-T104 HydrophobicContact CB-CG2 3.74Å; L102-T104 HydrophobicContact CD1-CG2 4.29Å; L102-T104 PolarHBondContact O-N 2.78Å; L102-V108 HydrophobicContact CD1-CG1 3.87Å
103A81.9Confident91.8Very high84 Ų8445.3 Ų45.369%0.69424%0.243SC*.  trans-78.72.8175.100000113.3
104T87.9Confident91.7Very high57 Ų5750 Ų5035%0.3526%0.259SS..  trans-70.9141.8-178.7-176.70000111.2Y66 L102 K106Y66-T104 WeakPolarHBondContact CE1-O 3.38Å; L102-T104 HydrophobicContact CB-CG2 3.74Å; L102-T104 HydrophobicContact CD1-CG2 4.29Å; L102-T104 PolarHBondContact O-N 2.78Å; T104-K106 VanDerWaalsContact C-N 3.25Å; T104-K106 WeakPolarHBondContact CG2-O 3.35Å; T104-K106 PolarHBondContact OG1-N 3.37Å; T104-K106 VanDerWaalsContact OG1-N 3.11Å
105Q88.1Confident91.4Very high108 Ų10854.6 Ų54.651%0.50529%0.289SS..SBendtrans-86.63.7170-68.3-63-49.600112.5E65E65-Q105 PolarHBondContact O-NE2 2.85Å; E65-Q105 PolarHBondContact O-OE1 2.9Å
106K89Confident91.1Very high167 Ų16759 Ų5973%0.72632%0.32SS*.SBendtrans-93.7131.8176.8-63.5-173.3175.8-174.50110.1T104T104-K106 VanDerWaalsContact C-N 3.25Å; T104-K106 WeakPolarHBondContact CG2-O 3.35Å; T104-K106 PolarHBondContact OG1-N 3.37Å; T104-K106 VanDerWaalsContact OG1-N 3.11Å
107A91.4Very high91Very high23 Ų2358.9 Ų58.919%0.1932%0.32CS..  trans-57.4138.7169.500000110.1K96 C97 W98 I110K96-A107 HydrophobicContact CB-CB 3.97Å; K96-A107 HydrophobicContact CG-CB 4.22Å; C97-A107 CarbonylContact O-C 3.46Å; C97-A107 VanDerWaalsContact O-CA 3.26Å; C97-A107 WeakPolarHBondContact O-CA 3.48Å; C97-A107 WeakPolarHBondContact O-CB 3.22Å; W98-A107 HydrophobicContact CD2-CB 4.49Å; W98-A107 HydrophobicContact CE3-CB 4.19Å; W98-A107 HydrophobicContact CH2-CB 4.16Å; W98-A107 HydrophobicContact CZ2-CB 4.46Å; W98-A107 HydrophobicContact CZ3-CB 4.02Å; A107-I110 HydrophobicContact CB-CD1 4.47Å; A107-I110 HydrophobicContact CB-CG1 3.93Å
108V91.2Very high91.1Very high55 Ų5560.4 Ų60.433%0.33333%0.329SS..SBendtrans-76.8-28.2177.8-64.80000111.6C97 D99 L102C97-V108 HydrophobicContact CB-CG2 4.04Å; C97-V108 WeakPolarHBondContact O-CG2 3.31Å; C97-V108 PolarHBondContact O-N 3.12Å; D99-V108 HydrophobicContact CB-CG1 3.94Å; L102-V108 HydrophobicContact CD1-CG1 3.87Å
109Q91.6Very high91.2Very high32 Ų3260.1 Ų60.115%0.1533%0.328CS..EExtended strand (participates in β ladder)trans-142.4148.9171.2-57.5-178.762.800109.6C97 F111C97-Q109 HydrophobicContact CB-CB 3.82Å; C97-Q109 PolarHBondContact N-O 2.74Å; Q109-F111 HydrophobicContact CB-CE2 4.24Å; Q109-F111 HydrophobicContact CB-CZ 4.39Å
110I93.9Very high91.5Very high64 Ų6460.5 Ų60.533%0.32833%0.33SS..EExtended strand (participates in β ladder)trans-128.9127175.3-58.1177.7000107.2T94 A107 S159 K160T94-I110 HydrophobicContact CG2-CG2 4.11Å; A107-I110 HydrophobicContact CB-CD1 4.47Å; A107-I110 HydrophobicContact CB-CG1 3.93Å; I110-S159 CarbonylContact O-C 3.45Å; I110-S159 WeakPolarHBondContact O-CA 3.44Å; I110-K160 PolarHBondContact O-N 2.86Å
111F95.2Very high91.7Very high0 Ų060.4 Ų60.40%033%0.33CS..EExtended strand (participates in β ladder)trans-104.3117.1173.4-52.2-94.3000107.1F87 T94 I95 C97 Q109 I131 W147 D148 K160F87-F111 HydrophobicContact CD1-CE2 4.16Å; F87-F111 AromaticContact CE1-CE2 3.89Å; F87-F111 HydrophobicContact CE1-CE2 3.89Å; F87-F111 HydrophobicContact CE1-CZ 4.22Å; T94-F111 CarbonylContact C-O 3.48Å; T94-F111 VanDerWaalsContact CA-O 3.27Å; T94-F111 WeakPolarHBondContact CA-O 3.26Å; I95-F111 HydrophobicContact CB-CB 4.14Å; I95-F111 HydrophobicContact CB-CD2 4.14Å; I95-F111 HydrophobicContact CG2-CD2 4.31Å; I95-F111 PolarHBondContact N-O 3.25Å; I95-F111 WeakPolarHBondContact O-CD2 3.4Å; I95-F111 PolarHBondContact O-N 2.88Å; C97-F111 HydrophobicContact CB-CE2 4.23Å; Q109-F111 HydrophobicContact CB-CE2 4.24Å; Q109-F111 HydrophobicContact CB-CZ 4.39Å; F111-I131 HydrophobicContact CD1-CD1 4.48Å; F111-I131 HydrophobicContact CD2-CD1 4.11Å; F111-I131 HydrophobicContact CE1-CD1 4.06Å; F111-I131 HydrophobicContact CE2-CD1 3.68Å; F111-I131 HydrophobicContact CZ-CD1 3.66Å; F111-W147 HydrophobicContact CB-CD2 4.11Å; F111-W147 HydrophobicContact CB-CG 3.96Å; F111-W147 HydrophobicContact CD1-CB 3.66Å; F111-W147 AromaticContact CD1-CD1 3.97Å; F111-W147 AromaticContact CD1-CG 3.86Å; F111-W147 HydrophobicContact CD1-CG 3.86Å; F111-W147 HydrophobicContact CE1-CB 4.28Å; F111-W147 HydrophobicContact CG-CB 4.47Å; F111-W147 HydrophobicContact CG-CG 4.32Å; F111-D148 WeakPolarHBondContact CE1-O 3.25Å; F111-K160 HydrophobicContact CD1-CB 3.85Å; F111-K160 HydrophobicContact CD1-CD 4.03Å; F111-K160 HydrophobicContact CD1-CG 4.31Å; F111-K160 HydrophobicContact CE1-CB 4.37Å; F111-K160 HydrophobicContact CE1-CD 3.72Å; F111-K160 HydrophobicContact CE1-CG 4.36Å
112S94.8Very high92.2Very high28 Ų2853 Ų5320%0.19630%0.302CS..EExtended strand (participates in β ladder)trans-102.5135.7-176.3-580000109.4W147 S159 K160 P162S112-W147 PolarHBondContact O-NE1 2.65Å; S112-S159 WeakPolarHBondContact CB-OG 3.33Å; S112-S159 PolarHBondContact OG-OG 2.83Å; S112-K160 PolarHBondContact N-O 2.82Å; S112-K160 VanDerWaalsContact N-O 3.09Å; S112-P162 WeakPolarHBondContact O-CD 3.19Å; S112-P162 WeakPolarHBondContact O-CG 2.96Å
113G93.2Very high92.8Very high15 Ų1550 Ų5016%0.15529%0.287CS..  trans-78.3-178.3169.900000113.2G93G93-G113 PolarHBondContact O-N 2.8Å
114Y92.3Very high93.5Very high105 Ų10546 Ų4641%0.41225%0.253SS..  trans-68.4158.3169.6-63.2-82.4000110.9S116 N117 V145 P162 V165Y114-S116 PolarHBondContact O-N 2.92Å; Y114-N117 PolarHBondContact N-ND2 3.29Å; Y114-N117 VanDerWaalsContact O-CB 3.32Å; Y114-N117 WeakPolarHBondContact O-CB 3.44Å; Y114-N117 PolarHBondContact O-N 2.91Å; Y114-N117 VanDerWaalsContact O-N 3.1Å; Y114-V145 HydrophobicContact CE2-CG1 4.32Å; Y114-P162 HydrophobicContact CD2-CG 4.12Å; Y114-P162 HydrophobicContact CE2-CB 3.78Å; Y114-P162 HydrophobicContact CE2-CG 3.63Å; Y114-V165 HydrophobicContact CD2-CG1 4Å; Y114-V165 HydrophobicContact CE2-CG1 3.42Å; Y114-V165 VanDerWaalsContact CE2-CG1 3.42Å
115P89.3Confident93.9Very high117 Ų11743.5 Ų43.576%0.7624%0.238SC*.THydrogen-bonded Turntrans-51.4138172.5-25.735000111.1N117P115-N117 VanDerWaalsContact C-N 3.28Å; P115-N117 PolarHBondContact O-N 3.49Å
116S89.6Confident94.3Very high94 Ų9439.7 Ų39.766%0.65722%0.223SC*.THydrogen-bonded Turntrans76.2-5.5-176.9-46.60000116.5Y114 V118Y114-S116 PolarHBondContact O-N 2.92Å; S116-V118 PolarHBondContact O-N 2.85Å
117N93.9Very high94.5Very high14 Ų1433.5 Ų33.58%0.07520%0.201CC..  trans-64.9128.7175.1-71.914.5000111.2G93 Y114 P115 F119 T135G93-N117 WeakPolarHBondContact CA-O 3.38Å; Y114-N117 PolarHBondContact N-ND2 3.29Å; Y114-N117 VanDerWaalsContact O-CB 3.32Å; Y114-N117 WeakPolarHBondContact O-CB 3.44Å; Y114-N117 PolarHBondContact O-N 2.91Å; Y114-N117 VanDerWaalsContact O-N 3.1Å; P115-N117 VanDerWaalsContact C-N 3.28Å; P115-N117 PolarHBondContact O-N 3.49Å; N117-F119 HydrophobicContact CB-CE1 3.9Å; N117-F119 HydrophobicContact CB-CZ 4.2Å; N117-T135 HydrophobicContact CB-CG2 4.14Å
118V95.9Very high94.7Very high34 Ų3433.3 Ų33.321%0.20620%0.196CC..  trans-117.1105.8172.2179.60000107.6S116 T135 E136S116-V118 PolarHBondContact O-N 2.85Å; V118-T135 CarbonylContact O-C 3.57Å; V118-T135 WeakPolarHBondContact O-CA 3.48Å; V118-E136 HydrophobicContact CB-CB 4.31Å; V118-E136 HydrophobicContact CB-CG 4.39Å; V118-E136 HydrophobicContact CG1-CG 4.1Å; V118-E136 PolarHBondContact O-N 2.81Å
119F96.9Very high94.8Very high0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-80125.9-178.3-59.7-40000111.8N74 A89 G93 I95 N117 A133 G134 T135 V145 W147N74-F119 PolarHBondContact ND2-O 2.86Å; A89-F119 HydrophobicContact CB-CB 4.4Å; G93-F119 VanDerWaalsContact C-CD2 3.43Å; G93-F119 WeakPolarHBondContact O-CE2 3.22Å; I95-F119 HydrophobicContact CG1-CD2 4.1Å; I95-F119 HydrophobicContact CG1-CE2 4.27Å; N117-F119 HydrophobicContact CB-CE1 3.9Å; N117-F119 HydrophobicContact CB-CZ 4.2Å; F119-A133 HydrophobicContact CB-CB 4.42Å; F119-A133 HydrophobicContact CD1-CB 3.78Å; F119-A133 HydrophobicContact CD2-CB 4.37Å; F119-A133 HydrophobicContact CE1-CB 4.14Å; F119-A133 HydrophobicContact CG-CB 3.95Å; F119-G134 WeakPolarHBondContact CA-O 3.22Å; F119-T135 HydrophobicContact CD1-CG2 3.87Å; F119-T135 HydrophobicContact CE1-CG2 3.9Å; F119-V145 HydrophobicContact CE1-CB 4.37Å; F119-V145 HydrophobicContact CE1-CG2 4.08Å; F119-W147 AromaticContact CE1-CH2 3.85Å; F119-W147 HydrophobicContact CE1-CH2 3.85Å; F119-W147 AromaticContact CE2-CH2 3.75Å; F119-W147 HydrophobicContact CE2-CH2 3.75Å; F119-W147 HydrophobicContact CE2-CZ2 4.04Å; F119-W147 AromaticContact CZ-CH2 3.26Å; F119-W147 HydrophobicContact CZ-CH2 3.26Å; F119-W147 AromaticContact CZ-CZ2 3.61Å; F119-W147 HydrophobicContact CZ-CZ2 3.61Å; F119-W147 HydrophobicContact CZ-CZ3 4.45Å
120I97.3Very high95.1Very high30 Ų3034.3 Ų34.315%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-119.6-6.5178.850.5161.5000113.8G134 E136 D173 I174I120-G134 PolarHBondContact N-O 3.01Å; I120-E136 HydrophobicContact CB-CG 4.36Å; I120-E136 HydrophobicContact CD1-CG 3.93Å; I120-E136 HydrophobicContact CG1-CG 4.13Å; I120-E136 HydrophobicContact CG2-CG 3.42Å; I120-E136 VanDerWaalsContact CG2-CG 3.42Å; I120-E136 WeakPolarHBondContact CG2-OE1 3.15Å; I120-D173 HydrophobicContact CD1-CB 3.7Å; I120-I174 WeakPolarHBondContact CD1-O 3.37Å; I120-I174 WeakPolarHBondContact CG1-O 3.24Å
121S97.9Very high95.3Very high5 Ų531.2 Ų31.24%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-152.1154.9170.564.90000110.1A133 G134 I174 T175S121-A133 CarbonylContact O-C 3.59Å; S121-A133 VanDerWaalsContact O-CA 3.23Å; S121-A133 WeakPolarHBondContact O-CA 3.31Å; S121-A133 WeakPolarHBondContact O-CB 3.4Å; S121-G134 PolarHBondContact N-O 2.77Å; S121-G134 PolarHBondContact O-N 3.27Å; S121-I174 WeakPolarHBondContact CB-O 3.43Å; S121-I174 PolarHBondContact OG-O 2.86Å; S121-T175 WeakPolarHBondContact CB-O 3.45Å
122F98.5Very high95.4Very high4 Ų431.2 Ų31.22%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-159.8163.3169.183.8-67.7000111.1G75 R77 F87 A89 I95 I131 C132 A133G75-F122 VanDerWaalsContact C-CE1 3.44Å; R77-F122 HydrophobicContact CB-CE2 4.16Å; R77-F122 HydrophobicContact CB-CZ 4.1Å; R77-F122 HydrophobicContact CG-CE2 4.08Å; R77-F122 HydrophobicContact CG-CZ 3.89Å; F87-F122 HydrophobicContact CB-CE2 3.71Å; F87-F122 HydrophobicContact CB-CZ 4.18Å; A89-F122 HydrophobicContact CB-CB 3.85Å; A89-F122 HydrophobicContact CB-CD1 3.15Å; A89-F122 HydrophobicContact CB-CD2 4.46Å; A89-F122 HydrophobicContact CB-CE1 3.75Å; A89-F122 HydrophobicContact CB-CG 3.56Å; A89-F122 VanDerWaalsContact N-CE1 3.27Å; I95-F122 HydrophobicContact CD1-CB 4.33Å; I95-F122 HydrophobicContact CG2-CD2 4.19Å; I95-F122 HydrophobicContact CG2-CE2 4.3Å; F122-I131 HydrophobicContact CD2-CG2 4.41Å; F122-C132 CarbonylContact C-O 3.55Å; F122-C132 WeakPolarHBondContact CA-O 3.49Å; F122-C132 VanDerWaalsContact CB-O 3.31Å; F122-C132 WeakPolarHBondContact CB-O 3.5Å; F122-A133 HydrophobicContact CB-CB 3.82Å
123D98.5Very high95.6Very high14 Ų1429.9 Ų29.98%0.07518%0.177CC..EExtended strand (participates in β ladder)trans-151.7166.9166.9-159.517.6000111.3R77 I131 C132 I177 C178 F179R77-D123 IonicContact NE-OD1 3.09Å; D123-I131 WeakPolarHBondContact O-CA 3.2Å; D123-C132 PolarHBondContact N-O 3Å; D123-C132 PolarHBondContact O-N 3.33Å; D123-I177 HydrophobicContact CB-CB 4.5Å; D123-I177 HydrophobicContact CB-CG2 3.96Å; D123-C178 WeakPolarHBondContact OD2-CA 3.3Å; D123-F179 HydrophobicContact CB-CD2 3.8Å; D123-F179 HydrophobicContact CB-CE2 4.42Å; D123-F179 WeakPolarHBondContact O-CE2 3.14Å; D123-F179 PolarHBondContact OD2-N 3.47Å
124I97.6Very high95.8Very high0 Ų029.2 Ų29.20%017%0.169CC..EExtended strand (participates in β ladder)trans-120.9134.7174.1-171.9169.8000110.1R77 H80 F87 D128 I131 A149 F179R77-I124 HydrophobicContact CB-CG2 4.28Å; H80-I124 PolarHBondContact NE2-O 3.48Å; F87-I124 HydrophobicContact CD2-CD1 3.92Å; F87-I124 HydrophobicContact CE1-CD1 4.48Å; F87-I124 HydrophobicContact CE2-CD1 3.35Å; F87-I124 HydrophobicContact CZ-CD1 3.68Å; I124-D128 HydrophobicContact CD1-CB 4Å; I124-I131 HydrophobicContact CB-CG1 4.06Å; I124-I131 HydrophobicContact CD1-CD1 4.34Å; I124-I131 HydrophobicContact CD1-CG1 3.91Å; I124-I131 HydrophobicContact CG1-CG1 3.82Å; I124-A149 HydrophobicContact CD1-CB 4.17Å; I124-F179 VanDerWaalsContact C-CD2 3.4Å
125N96.8Very high96.1Very high4 Ų424.3 Ų24.32%0.02115%0.15CC..  trans-66.2159.1-175.884.4-9000112.3H80 S127 D128 L129 V130 F179 P184H80-N125 PolarHBondContact CD2-O 2.85Å; N125-S127 VanDerWaalsContact CG-OG 3.24Å; N125-S127 PolarHBondContact ND2-OG 3.15Å; N125-S127 VanDerWaalsContact ND2-OG 3.07Å; N125-S127 PolarHBondContact O-N 2.85Å; N125-S127 PolarHBondContact OD1-N 2.7Å; N125-S127 PolarHBondContact OD1-OG 2.95Å; N125-D128 PolarHBondContact O-N 2.82Å; N125-D128 PolarHBondContact OD1-N 2.75Å; N125-D128 VanDerWaalsContact OD1-N 3.11Å; N125-L129 PolarHBondContact OD1-N 2.91Å; N125-V130 PolarHBondContact N-O 3.05Å; N125-V130 PolarHBondContact OD1-N 3.02Å; N125-F179 VanDerWaalsContact CA-CG 3.47Å; N125-F179 HydrophobicContact CB-CB 4.2Å; N125-F179 HydrophobicContact CB-CD1 3.45Å; N125-F179 VanDerWaalsContact CB-CD1 3.45Å; N125-F179 HydrophobicContact CB-CD2 4.03Å; N125-F179 HydrophobicContact CB-CE1 3.71Å; N125-F179 HydrophobicContact CB-CE2 4.25Å; N125-F179 HydrophobicContact CB-CG 3.63Å; N125-F179 HydrophobicContact CB-CZ 4.1Å; N125-F179 VanDerWaalsContact N-CD2 3.32Å; N125-P184 WeakPolarHBondContact ND2-CB 3.21Å; N125-P184 PolarHBondContact ND2-O 2.65Å
126C94.9Very high96.5Very high28 Ų2822.6 Ų22.619%0.18913%0.132CC..THydrogen-bonded Turntrans-61.3-10.2-17465.50000115P181C126-P181 VanDerWaalsContact CB-O 3.23Å; C126-P181 WeakPolarHBondContact CB-O 3.19Å
127S94.4Very high96.8Very high38 Ų3822.2 Ų22.227%0.26612%0.119SC..THydrogen-bonded Turntrans-100.3-1.8175.5590000114.6N125 L129 P184N125-S127 VanDerWaalsContact CG-OG 3.24Å; N125-S127 PolarHBondContact ND2-OG 3.15Å; N125-S127 VanDerWaalsContact ND2-OG 3.07Å; N125-S127 PolarHBondContact O-N 2.85Å; N125-S127 PolarHBondContact OD1-N 2.7Å; N125-S127 PolarHBondContact OD1-OG 2.95Å; S127-L129 WeakPolarHBondContact O-CG 3.31Å; S127-L129 PolarHBondContact O-N 3.06Å; S127-L129 WeakPolarHBondContact OG-CG 3.41Å; S127-P184 WeakPolarHBondContact OG-CB 3.42Å
128D94.4Very high96.7Very high18 Ų1824.1 Ų24.110%0.09613%0.131CC..SBendtrans56.627.9-173-57.6-38.9000115.2A79 H80 T81 I124 N125 A149A79-D128 WeakPolarHBondContact CA-OD1 3.16Å; H80-D128 IonicContact CD2-OD1 2.76Å; H80-D128 PolarHBondContact CD2-OD1 3.3Å; H80-D128 VanDerWaalsContact CD2-OD1 3.28Å; H80-D128 IonicContact CG-OD1 2.74Å; H80-D128 VanDerWaalsContact N-CG 3.26Å; H80-D128 PolarHBondContact N-OD1 2.89Å; H80-D128 PolarHBondContact N-OD2 3.45Å; T81-D128 WeakPolarHBondContact CA-OD2 3.14Å; T81-D128 VanDerWaalsContact CB-OD2 3.26Å; T81-D128 WeakPolarHBondContact CB-OD2 3.33Å; T81-D128 WeakPolarHBondContact CG2-OD2 3.34Å; T81-D128 PolarHBondContact N-OD2 3.05Å; T81-D128 PolarHBondContact OG1-OD2 3.32Å; I124-D128 HydrophobicContact CD1-CB 4Å; N125-D128 PolarHBondContact O-N 2.82Å; N125-D128 PolarHBondContact OD1-N 2.75Å; N125-D128 VanDerWaalsContact OD1-N 3.11Å; D128-A149 WeakPolarHBondContact O-CB 3.04Å
129L94.1Very high96.3Very high80 Ų8031.1 Ų31.142%0.41916%0.161SC..SBendtrans-101.5-31.4-177.6-61.5-176.7000112.6N125 S127 D148 A149 R150N125-L129 PolarHBondContact OD1-N 2.91Å; S127-L129 WeakPolarHBondContact O-CG 3.31Å; S127-L129 PolarHBondContact O-N 3.06Å; S127-L129 WeakPolarHBondContact OG-CG 3.41Å; L129-D148 WeakPolarHBondContact O-CA 3.04Å; L129-A149 PolarHBondContact O-N 3.32Å; L129-R150 HydrophobicContact CD2-CG 3.65Å
130V97Very high95.9Very high28 Ų2839.9 Ų39.917%0.1720%0.199CC..EExtended strand (participates in β ladder)trans-127.2130-175.3-175.50000109.6N125 F146 W147 F179 I201N125-V130 PolarHBondContact N-O 3.05Å; N125-V130 PolarHBondContact OD1-N 3.02Å; V130-F146 HydrophobicContact CG1-CD1 4.2Å; V130-W147 WeakPolarHBondContact CA-O 3.44Å; V130-F179 HydrophobicContact CB-CZ 4.47Å; V130-F179 HydrophobicContact CG1-CZ 4.11Å; V130-I201 HydrophobicContact CB-CD1 4.29Å; V130-I201 HydrophobicContact CG1-CD1 3.9Å; V130-I201 HydrophobicContact CG2-CD1 4.3Å
131I97.9Very high95.6Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-106.1141.2167.3-68.7159.9000107.8F87 I95 F111 F122 D123 I124 F146 W147 A149F87-I131 HydrophobicContact CD1-CD1 3.81Å; F87-I131 HydrophobicContact CE1-CD1 3.69Å; F87-I131 HydrophobicContact CZ-CD1 4.35Å; I95-I131 HydrophobicContact CD1-CG2 3.33Å; F111-I131 HydrophobicContact CD1-CD1 4.48Å; F111-I131 HydrophobicContact CD2-CD1 4.11Å; F111-I131 HydrophobicContact CE1-CD1 4.06Å; F111-I131 HydrophobicContact CE2-CD1 3.68Å; F111-I131 HydrophobicContact CZ-CD1 3.66Å; F122-I131 HydrophobicContact CD2-CG2 4.41Å; D123-I131 WeakPolarHBondContact O-CA 3.2Å; I124-I131 HydrophobicContact CB-CG1 4.06Å; I124-I131 HydrophobicContact CD1-CD1 4.34Å; I124-I131 HydrophobicContact CD1-CG1 3.91Å; I124-I131 HydrophobicContact CG1-CG1 3.82Å; I131-F146 CarbonylContact O-C 3.52Å; I131-F146 WeakPolarHBondContact O-CA 3.38Å; I131-W147 HydrophobicContact CG2-CE3 4.25Å; I131-W147 PolarHBondContact N-O 3.42Å; I131-W147 PolarHBondContact O-N 2.82Å; I131-A149 HydrophobicContact CD1-CB 3.68Å; I131-A149 HydrophobicContact CG1-CB 3.87Å
132C98.5Very high95.5Very high0 Ų042.5 Ų42.50%021%0.213CC..EExtended strand (participates in β ladder)trans-127.7136.7171.9-176.20000109.3F122 D123 V145 F146 I177 F179F122-C132 CarbonylContact C-O 3.55Å; F122-C132 WeakPolarHBondContact CA-O 3.49Å; F122-C132 VanDerWaalsContact CB-O 3.31Å; F122-C132 WeakPolarHBondContact CB-O 3.5Å; D123-C132 PolarHBondContact N-O 3Å; D123-C132 PolarHBondContact O-N 3.33Å; C132-V145 CarbonylContact C-O 3.5Å; C132-V145 VanDerWaalsContact CA-O 3.26Å; C132-V145 WeakPolarHBondContact CA-O 3.39Å; C132-F146 HydrophobicContact CB-CD1 3.77Å; C132-F146 HydrophobicContact CB-CE1 3.71Å; C132-F146 WeakPolarHBondContact SG-CE1 3.2Å; C132-I177 HydrophobicContact CB-CG2 4.14Å; C132-F179 HydrophobicContact CB-CE2 3.65Å; C132-F179 HydrophobicContact CB-CZ 3.62Å
133A98.4Very high95.5Very high0 Ų044.4 Ų44.40%022%0.222CC..EExtended strand (participates in β ladder)trans-129.6147173.200000112.1I95 F119 S121 F122 L144 V145 W147I95-A133 HydrophobicContact CD1-CB 3.69Å; I95-A133 HydrophobicContact CG1-CB 4.44Å; F119-A133 HydrophobicContact CB-CB 4.42Å; F119-A133 HydrophobicContact CD1-CB 3.78Å; F119-A133 HydrophobicContact CD2-CB 4.37Å; F119-A133 HydrophobicContact CE1-CB 4.14Å; F119-A133 HydrophobicContact CG-CB 3.95Å; S121-A133 CarbonylContact O-C 3.59Å; S121-A133 VanDerWaalsContact O-CA 3.23Å; S121-A133 WeakPolarHBondContact O-CA 3.31Å; S121-A133 WeakPolarHBondContact O-CB 3.4Å; F122-A133 HydrophobicContact CB-CB 3.82Å; A133-L144 CarbonylContact O-C 3.51Å; A133-L144 WeakPolarHBondContact O-CA 3.49Å; A133-V145 PolarHBondContact N-O 2.94Å; A133-V145 PolarHBondContact O-N 3.2Å; A133-W147 HydrophobicContact CB-CH2 4.12Å; A133-W147 HydrophobicContact CB-CZ3 3.81Å
134G98.4Very high95.5Very high0 Ų043.9 Ų43.90%022%0.219CC..EExtended strand (participates in β ladder)trans-107.6139.5-17900000109.6F119 I120 S121F119-G134 WeakPolarHBondContact CA-O 3.22Å; I120-G134 PolarHBondContact N-O 3.01Å; S121-G134 PolarHBondContact N-O 2.77Å; S121-G134 PolarHBondContact O-N 3.27Å
135T98.1Very high95.5Very high3 Ų343.9 Ų43.92%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-98.3159.5-178.269.50000112.8N117 V118 F119 F143 V145 I174N117-T135 HydrophobicContact CB-CG2 4.14Å; V118-T135 CarbonylContact O-C 3.57Å; V118-T135 WeakPolarHBondContact O-CA 3.48Å; F119-T135 HydrophobicContact CD1-CG2 3.87Å; F119-T135 HydrophobicContact CE1-CG2 3.9Å; T135-F143 HydrophobicContact CG2-CB 4.14Å; T135-F143 PolarHBondContact N-O 2.64Å; T135-F143 VanDerWaalsContact N-O 3.13Å; T135-F143 PolarHBondContact OG1-N 2.92Å; T135-V145 HydrophobicContact CG2-CG2 4.29Å; T135-I174 PolarHBondContact O-N 2.81Å
136E97.1Very high95.5Very high80 Ų8044.3 Ų44.337%0.37422%0.221SC..PPolyproline II helixtrans-62.8157.8153.2-67.5179.8178.300109.4V118 I120 V138 D173V118-E136 HydrophobicContact CB-CB 4.31Å; V118-E136 HydrophobicContact CB-CG 4.39Å; V118-E136 HydrophobicContact CG1-CG 4.1Å; V118-E136 PolarHBondContact O-N 2.81Å; I120-E136 HydrophobicContact CB-CG 4.36Å; I120-E136 HydrophobicContact CD1-CG 3.93Å; I120-E136 HydrophobicContact CG1-CG 4.13Å; I120-E136 HydrophobicContact CG2-CG 3.42Å; I120-E136 VanDerWaalsContact CG2-CG 3.42Å; I120-E136 WeakPolarHBondContact CG2-OE1 3.15Å; E136-V138 PolarHBondContact O-N 2.96Å; E136-D173 VanDerWaalsContact CA-OD1 3.23Å; E136-D173 WeakPolarHBondContact CA-OD1 3.23Å
137K96.3Very high95.7Very high86 Ų8643 Ų4337%0.37421%0.212SC..PPolyproline II helixtrans-72.4117.8169.6-175.5-179.3-170.1158.90109.6E139 D141 T142 N171 D173K137-E139 WeakPolarHBondContact CE-O 3.29Å; K137-D141 WeakPolarHBondContact CA-O 3.14Å; K137-T142 WeakPolarHBondContact CA-OG1 3.42Å; K137-T142 WeakPolarHBondContact CB-OG1 3.49Å; K137-N171 WeakPolarHBondContact CD-O 3.29Å; K137-N171 VanDerWaalsContact CE-O 3.32Å; K137-N171 WeakPolarHBondContact CE-O 3.15Å; K137-N171 PolarHBondContact NZ-O 2.86Å; K137-D173 PolarHBondContact N-OD1 2.87Å
138V91.4Very high95.7Very high55 Ų5542.8 Ų42.833%0.33321%0.208SC..BIsolated β-bridgetrans-112.6116.8172.5-178.20000107.9E136 K140 D141E136-V138 PolarHBondContact O-N 2.96Å; V138-K140 PolarHBondContact O-N 3.16Å; V138-D141 PolarHBondContact N-O 3.32Å; V138-D141 PolarHBondContact O-N 3.45Å
139E88.2Confident95.5Very high181 Ų18142.2 Ų42.285%0.84621%0.205SC*.THydrogen-bonded Turntrans57.4-97.8-171.9-56.3-175.317600112.8K137K137-E139 WeakPolarHBondContact CE-O 3.29Å
140K87Confident95.2Very high183 Ų18345.9 Ų45.980%0.79621%0.214SC*.THydrogen-bonded Turntrans-116.4-8.6-179.9-67.4-174.4179.7-179.80113.1V138V138-K140 PolarHBondContact O-N 3.16Å
141D91.6Very high93.8Very high87 Ų8746.8 Ų46.847%0.46523%0.228SC..BIsolated β-bridgetrans-106.7143.1-168.8-56.1-32.9000110.5K137 V138 F143K137-D141 WeakPolarHBondContact CA-O 3.14Å; V138-D141 PolarHBondContact N-O 3.32Å; V138-D141 PolarHBondContact O-N 3.45Å; D141-F143 HydrophobicContact CB-CD2 4.43Å; D141-F143 HydrophobicContact CB-CE1 4.28Å; D141-F143 HydrophobicContact CB-CE2 3.48Å; D141-F143 VanDerWaalsContact CB-CE2 3.48Å; D141-F143 HydrophobicContact CB-CZ 3.4Å
142T96.3Very high91.7Very high3 Ų350.9 Ų50.92%0.01825%0.25CS..  trans-142.4137.7171.7-55.50000107.4K137 D172 I174K137-T142 WeakPolarHBondContact CA-OG1 3.42Å; K137-T142 WeakPolarHBondContact CB-OG1 3.49Å; T142-D172 WeakPolarHBondContact CG2-O 3.31Å; T142-I174 HydrophobicContact CG2-CD1 3.64Å; T142-I174 HydrophobicContact CG2-CG1 3.67Å
143F97.6Very high89.3Confident45 Ų4557.1 Ų57.120%0.19729%0.289CS..  trans-130135.1-168.8-56.5-78.3000112.2T135 D141 V145 V165 Y166 I174T135-F143 HydrophobicContact CG2-CB 4.14Å; T135-F143 PolarHBondContact N-O 2.64Å; T135-F143 VanDerWaalsContact N-O 3.13Å; T135-F143 PolarHBondContact OG1-N 2.92Å; D141-F143 HydrophobicContact CB-CD2 4.43Å; D141-F143 HydrophobicContact CB-CE1 4.28Å; D141-F143 HydrophobicContact CB-CE2 3.48Å; D141-F143 VanDerWaalsContact CB-CE2 3.48Å; D141-F143 HydrophobicContact CB-CZ 3.4Å; F143-V145 HydrophobicContact CB-CG2 3.75Å; F143-V165 HydrophobicContact CB-CB 4.46Å; F143-V165 HydrophobicContact CB-CG1 4.5Å; F143-V165 HydrophobicContact CD1-CB 4.03Å; F143-V165 HydrophobicContact CD1-CG1 4.37Å; F143-V165 HydrophobicContact CD1-CG2 3.91Å; F143-V165 HydrophobicContact CE1-CG2 4.31Å; F143-Y166 WeakPolarHBondContact CA-O 3.32Å; F143-I174 VanDerWaalsContact C-CD1 3.42Å; F143-I174 WeakPolarHBondContact O-CD1 3.29Å
144L98.4Very high86.5Confident2 Ų263.5 Ų63.51%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-84.4125.7147.9-64.686.5000107.2A133 F146 V165 Y166 I174 F199A133-L144 CarbonylContact O-C 3.51Å; A133-L144 WeakPolarHBondContact O-CA 3.49Å; L144-F146 HydrophobicContact CB-CE2 3.82Å; L144-F146 HydrophobicContact CB-CZ 3.96Å; L144-F146 HydrophobicContact CD2-CZ 4.24Å; L144-V165 CarbonylContact O-C 3.33Å; L144-V165 WeakPolarHBondContact O-CA 3.35Å; L144-V165 WeakPolarHBondContact O-CB 3.12Å; L144-Y166 PolarHBondContact N-O 3.24Å; L144-Y166 PolarHBondContact O-N 2.96Å; L144-I174 HydrophobicContact CD1-CD1 3.61Å; L144-I174 HydrophobicContact CG-CD1 3.89Å; L144-F199 HydrophobicContact CD2-CE2 4.2Å
145V98.3Very high83.8Confident0 Ų066.7 Ų66.70%035%0.345CS..EExtended strand (participates in β ladder)trans-116.1135.5-178.3-170.50000108.9Y114 F119 C132 A133 T135 F143 W147 P162 V165Y114-V145 HydrophobicContact CE2-CG1 4.32Å; F119-V145 HydrophobicContact CE1-CB 4.37Å; F119-V145 HydrophobicContact CE1-CG2 4.08Å; C132-V145 CarbonylContact C-O 3.5Å; C132-V145 VanDerWaalsContact CA-O 3.26Å; C132-V145 WeakPolarHBondContact CA-O 3.39Å; A133-V145 PolarHBondContact N-O 2.94Å; A133-V145 PolarHBondContact O-N 3.2Å; T135-V145 HydrophobicContact CG2-CG2 4.29Å; F143-V145 HydrophobicContact CB-CG2 3.75Å; V145-W147 HydrophobicContact CB-CH2 3.39Å; V145-W147 HydrophobicContact CB-CZ2 4.08Å; V145-W147 HydrophobicContact CB-CZ3 3.73Å; V145-W147 HydrophobicContact CG1-CD2 4.48Å; V145-W147 HydrophobicContact CG1-CE3 4.37Å; V145-W147 HydrophobicContact CG1-CH2 3.22Å; V145-W147 HydrophobicContact CG1-CZ2 3.35Å; V145-W147 HydrophobicContact CG1-CZ3 3.77Å; V145-W147 HydrophobicContact CG2-CH2 4.44Å; V145-W147 WeakPolarHBondContact O-CZ3 3.23Å; V145-P162 HydrophobicContact CG1-CB 3.72Å; V145-P162 HydrophobicContact CG1-CG 3.88Å; V145-V165 HydrophobicContact CB-CG1 4.35Å; V145-V165 HydrophobicContact CG1-CG1 4.14Å; V145-V165 HydrophobicContact CG2-CG1 3.98Å
146F97.9Very high81.2Confident14 Ų1471.3 Ų71.36%0.06138%0.383CS..EExtended strand (participates in β ladder)trans-116.9144.7-173.3-61.1-90.3000111.9V130 I131 C132 L144 P162 L163 G164 Y166 I201V130-F146 HydrophobicContact CG1-CD1 4.2Å; I131-F146 CarbonylContact O-C 3.52Å; I131-F146 WeakPolarHBondContact O-CA 3.38Å; C132-F146 HydrophobicContact CB-CD1 3.77Å; C132-F146 HydrophobicContact CB-CE1 3.71Å; C132-F146 WeakPolarHBondContact SG-CE1 3.2Å; L144-F146 HydrophobicContact CB-CE2 3.82Å; L144-F146 HydrophobicContact CB-CZ 3.96Å; L144-F146 HydrophobicContact CD2-CZ 4.24Å; F146-P162 CarbonylContact O-C 3.55Å; F146-P162 WeakPolarHBondContact O-CA 3.44Å; F146-L163 HydrophobicContact CB-CB 4.4Å; F146-L163 PolarHBondContact O-N 2.69Å; F146-G164 PolarHBondContact N-O 3.12Å; F146-Y166 HydrophobicContact CE2-CD1 4.09Å; F146-Y166 AromaticContact CE2-CD2 3.63Å; F146-Y166 HydrophobicContact CE2-CD2 3.63Å; F146-Y166 HydrophobicContact CE2-CE1 4.27Å; F146-Y166 AromaticContact CE2-CE2 3.83Å; F146-Y166 HydrophobicContact CE2-CE2 3.83Å; F146-Y166 AromaticContact CE2-CG 3.76Å; F146-Y166 HydrophobicContact CE2-CG 3.76Å; F146-Y166 AromaticContact CZ-CD2 3.63Å; F146-Y166 HydrophobicContact CZ-CD2 3.63Å; F146-Y166 AromaticContact CZ-CE2 3.58Å; F146-Y166 HydrophobicContact CZ-CE2 3.58Å; F146-Y166 HydrophobicContact CZ-CG 4.25Å; F146-I201 HydrophobicContact CE1-CG2 3.89Å; F146-I201 HydrophobicContact CZ-CG2 4.22Å
147W97.4Very high79.1Confident0 Ų073 Ų730%040%0.403CS..EExtended strand (participates in β ladder)trans-137153.4173.1-62.4-100.3000111.9I95 F111 S112 F119 V130 I131 A133 V145 P162I95-W147 HydrophobicContact CD1-CE3 4.02Å; I95-W147 HydrophobicContact CD1-CH2 4.12Å; I95-W147 HydrophobicContact CD1-CZ3 3.65Å; F111-W147 HydrophobicContact CB-CD2 4.11Å; F111-W147 HydrophobicContact CB-CG 3.96Å; F111-W147 HydrophobicContact CD1-CB 3.66Å; F111-W147 AromaticContact CD1-CD1 3.97Å; F111-W147 AromaticContact CD1-CG 3.86Å; F111-W147 HydrophobicContact CD1-CG 3.86Å; F111-W147 HydrophobicContact CE1-CB 4.28Å; F111-W147 HydrophobicContact CG-CB 4.47Å; F111-W147 HydrophobicContact CG-CG 4.32Å; S112-W147 PolarHBondContact O-NE1 2.65Å; F119-W147 AromaticContact CE1-CH2 3.85Å; F119-W147 HydrophobicContact CE1-CH2 3.85Å; F119-W147 AromaticContact CE2-CH2 3.75Å; F119-W147 HydrophobicContact CE2-CH2 3.75Å; F119-W147 HydrophobicContact CE2-CZ2 4.04Å; F119-W147 AromaticContact CZ-CH2 3.26Å; F119-W147 HydrophobicContact CZ-CH2 3.26Å; F119-W147 AromaticContact CZ-CZ2 3.61Å; F119-W147 HydrophobicContact CZ-CZ2 3.61Å; F119-W147 HydrophobicContact CZ-CZ3 4.45Å; V130-W147 WeakPolarHBondContact CA-O 3.44Å; I131-W147 HydrophobicContact CG2-CE3 4.25Å; I131-W147 PolarHBondContact N-O 3.42Å; I131-W147 PolarHBondContact O-N 2.82Å; A133-W147 HydrophobicContact CB-CH2 4.12Å; A133-W147 HydrophobicContact CB-CZ3 3.81Å; V145-W147 HydrophobicContact CB-CH2 3.39Å; V145-W147 HydrophobicContact CB-CZ2 4.08Å; V145-W147 HydrophobicContact CB-CZ3 3.73Å; V145-W147 HydrophobicContact CG1-CD2 4.48Å; V145-W147 HydrophobicContact CG1-CE3 4.37Å; V145-W147 HydrophobicContact CG1-CH2 3.22Å; V145-W147 HydrophobicContact CG1-CZ2 3.35Å; V145-W147 HydrophobicContact CG1-CZ3 3.77Å; V145-W147 HydrophobicContact CG2-CH2 4.44Å; V145-W147 WeakPolarHBondContact O-CZ3 3.23Å; W147-P162 HydrophobicContact CZ2-CG 4.13Å
148D94.4Very high77.4Confident34 Ų3471.2 Ų71.218%0.18240%0.4CS..EExtended strand (participates in β ladder)trans-80117.5165-172.8-55.2000110.2F111 L129 R150 K160 L163F111-D148 WeakPolarHBondContact CE1-O 3.25Å; L129-D148 WeakPolarHBondContact O-CA 3.04Å; D148-R150 WeakPolarHBondContact OD1-CB 3.23Å; D148-R150 VanDerWaalsContact OD1-CG 3.26Å; D148-R150 WeakPolarHBondContact OD1-CG 3.26Å; D148-R150 PolarHBondContact OD1-N 3.29Å; D148-R150 IonicContact OD1-NE 2.94Å; D148-R150 PolarHBondContact OD1-NE 2.89Å; D148-R150 IonicContact OD2-CZ 3.72Å; D148-R150 IonicContact OD2-NE 3.13Å; D148-R150 PolarHBondContact OD2-NE 3.45Å; D148-R150 IonicContact OD2-NH2 2.81Å; D148-R150 PolarHBondContact OD2-NH2 3.37Å; D148-K160 WeakPolarHBondContact O-CD 3.25Å; D148-K160 PolarHBondContact O-NZ 2.82Å; D148-K160 IonicContact OD1-NZ 2.64Å; D148-L163 HydrophobicContact CB-CD1 4.1Å; D148-L163 HydrophobicContact CB-CD2 4.16Å; D148-L163 HydrophobicContact CB-CG 4.32Å
149A92.3Very high76.5Confident6 Ų671.5 Ų71.55%0.0540%0.404CS..  trans-84-7.4-175.100000114.7I124 D128 L129 I131 G151I124-A149 HydrophobicContact CD1-CB 4.17Å; D128-A149 WeakPolarHBondContact O-CB 3.04Å; L129-A149 PolarHBondContact O-N 3.32Å; I131-A149 HydrophobicContact CD1-CB 3.68Å; I131-A149 HydrophobicContact CG1-CB 3.87Å; A149-G151 PolarHBondContact O-N 3.08Å
150R86.3Confident76.3Confident156 Ų15664.6 Ų64.659%0.58937%0.372SS*.  trans-65125-175.4-61.1176.6-72.7-179.4-0.5111L129 D148 D152 K160L129-R150 HydrophobicContact CD2-CG 3.65Å; D148-R150 WeakPolarHBondContact OD1-CB 3.23Å; D148-R150 VanDerWaalsContact OD1-CG 3.26Å; D148-R150 WeakPolarHBondContact OD1-CG 3.26Å; D148-R150 PolarHBondContact OD1-N 3.29Å; D148-R150 IonicContact OD1-NE 2.94Å; D148-R150 PolarHBondContact OD1-NE 2.89Å; D148-R150 IonicContact OD2-CZ 3.72Å; D148-R150 IonicContact OD2-NE 3.13Å; D148-R150 PolarHBondContact OD2-NE 3.45Å; D148-R150 IonicContact OD2-NH2 2.81Å; D148-R150 PolarHBondContact OD2-NH2 3.37Å; R150-D152 PolarHBondContact O-N 2.84Å; R150-K160 WeakPolarHBondContact O-CE 3.44Å; R150-K160 PolarHBondContact O-NZ 2.83Å
151G67.6Low76.3Confident47 Ų4762.3 Ų62.349%0.48536%0.364SS..  trans-61.3128.5178.100000112.3A149 T153A149-G151 PolarHBondContact O-N 3.08Å; G151-T153 PolarHBondContact O-N 2.89Å
152D54.6Low76.5Confident86 Ų8659 Ų5946%0.4635%0.347SS..  trans-78.3111.3165-169.1-9.1000107.7R150 N154R150-D152 PolarHBondContact O-N 2.84Å; D152-N154 PolarHBondContact O-N 2.9Å; D152-N154 VanDerWaalsContact O-N 3.14Å; D152-N154 PolarHBondContact OD1-N 2.99Å; D152-N154 VanDerWaalsContact OD1-N 3.16Å
153T46.8Very low76.4Confident131 Ų13164.3 Ų64.380%0.80438%0.375SS*.THydrogen-bonded Turntrans-69.5-6.2-178.154.70000113.1G151G151-T153 PolarHBondContact O-N 2.89Å
154N41.1Very low76.3Confident135 Ų13563.3 Ų63.372%0.72238%0.377SS*.THydrogen-bonded Turntrans-108.9-4.7-167.5-67.5-37.5000116D152D152-N154 PolarHBondContact O-N 2.9Å; D152-N154 VanDerWaalsContact O-N 3.14Å; D152-N154 PolarHBondContact OD1-N 2.99Å; D152-N154 VanDerWaalsContact OD1-N 3.16Å
155C42.1Very low76.2Confident67 Ų6765.6 Ų65.645%0.45339%0.391SS..  trans-135.2113.3-179-680000112.3S157 T158C155-S157 PolarHBondContact O-N 2.99Å; C155-T158 HydrophobicContact CB-CG2 3.29Å
156A42.3Very low76.2Confident99 Ų9966.7 Ų66.782%0.81840%0.395SS*.THydrogen-bonded Turntrans-61.6120.3169.500000109.5
157S52.7Low76.1Confident115 Ų11568.5 Ų68.580%0.80441%0.409SS*.THydrogen-bonded Turntrans5768.4177.859.80000115.6C155C155-S157 PolarHBondContact O-N 2.99Å
158T61.7Low76Confident50 Ų5075.3 Ų75.331%0.30744%0.441SS..PPolyproline II helixtrans-97.4117.5166.245.20000110.5C155 K160C155-T158 HydrophobicContact CB-CG2 3.29Å; T158-K160 PolarHBondContact O-N 2.95Å
159S72.9Confident76.1Confident61 Ų6174.5 Ų74.543%0.42744%0.438SS..EExtended strand (participates in β ladder)trans-57.5127.5157.1177.90000107.8I110 S112I110-S159 CarbonylContact O-C 3.45Å; I110-S159 WeakPolarHBondContact O-CA 3.44Å; S112-S159 WeakPolarHBondContact CB-OG 3.33Å; S112-S159 PolarHBondContact OG-OG 2.83Å
160K83.4Confident76.3Confident36 Ų3674.5 Ų74.516%0.15744%0.437CS..EExtended strand (participates in β ladder)trans-93.6131.5173.5-71.2-153.8-177.6-166.30110.6I110 F111 S112 D148 R150 T158I110-K160 PolarHBondContact O-N 2.86Å; F111-K160 HydrophobicContact CD1-CB 3.85Å; F111-K160 HydrophobicContact CD1-CD 4.03Å; F111-K160 HydrophobicContact CD1-CG 4.31Å; F111-K160 HydrophobicContact CE1-CB 4.37Å; F111-K160 HydrophobicContact CE1-CD 3.72Å; F111-K160 HydrophobicContact CE1-CG 4.36Å; S112-K160 PolarHBondContact N-O 2.82Å; S112-K160 VanDerWaalsContact N-O 3.09Å; D148-K160 WeakPolarHBondContact O-CD 3.25Å; D148-K160 PolarHBondContact O-NZ 2.82Å; D148-K160 IonicContact OD1-NZ 2.64Å; R150-K160 WeakPolarHBondContact O-CE 3.44Å; R150-K160 PolarHBondContact O-NZ 2.83Å; T158-K160 PolarHBondContact O-N 2.95Å
161E87.3Confident76.9Confident134 Ų13472.2 Ų72.263%0.62644%0.437SS*.PPolyproline II helixtrans-77.7151.6172.3-60.7-56.6131.300110.8
162P94.9Very high78.3Confident19 Ų1972.7 Ų72.712%0.12343%0.428CS..PPolyproline II helixtrans-60.2147.4175.7-22.634.3000113.2S112 Y114 V145 F146 W147S112-P162 WeakPolarHBondContact O-CD 3.19Å; S112-P162 WeakPolarHBondContact O-CG 2.96Å; Y114-P162 HydrophobicContact CD2-CG 4.12Å; Y114-P162 HydrophobicContact CE2-CB 3.78Å; Y114-P162 HydrophobicContact CE2-CG 3.63Å; V145-P162 HydrophobicContact CG1-CB 3.72Å; V145-P162 HydrophobicContact CG1-CG 3.88Å; F146-P162 CarbonylContact O-C 3.55Å; F146-P162 WeakPolarHBondContact O-CA 3.44Å; W147-P162 HydrophobicContact CZ2-CG 4.13Å
163L94.4Very high80.4Confident114 Ų11470.9 Ų70.960%0.59742%0.418SS*.SBendtrans-71.2-33.1167.6-69.2176.6000111.9F146 D148F146-L163 HydrophobicContact CB-CB 4.4Å; F146-L163 PolarHBondContact O-N 2.69Å; D148-L163 HydrophobicContact CB-CD1 4.1Å; D148-L163 HydrophobicContact CB-CD2 4.16Å; D148-L163 HydrophobicContact CB-CG 4.32Å
164G94.9Very high82.9Confident24 Ų2464.7 Ų64.725%0.24738%0.38CS..EExtended strand (participates in β ladder)trans165.4-177.9-17600000111.5F146F146-G164 PolarHBondContact N-O 3.12Å
165V97Very high85.6Confident49 Ų4959.4 Ų59.430%0.29735%0.353SS..EExtended strand (participates in β ladder)trans-135.2154178.6-56.50000111.6Y114 F143 L144 V145Y114-V165 HydrophobicContact CD2-CG1 4Å; Y114-V165 HydrophobicContact CE2-CG1 3.42Å; Y114-V165 VanDerWaalsContact CE2-CG1 3.42Å; F143-V165 HydrophobicContact CB-CB 4.46Å; F143-V165 HydrophobicContact CB-CG1 4.5Å; F143-V165 HydrophobicContact CD1-CB 4.03Å; F143-V165 HydrophobicContact CD1-CG1 4.37Å; F143-V165 HydrophobicContact CD1-CG2 3.91Å; F143-V165 HydrophobicContact CE1-CG2 4.31Å; L144-V165 CarbonylContact O-C 3.33Å; L144-V165 WeakPolarHBondContact O-CA 3.35Å; L144-V165 WeakPolarHBondContact O-CB 3.12Å; V145-V165 HydrophobicContact CB-CG1 4.35Å; V145-V165 HydrophobicContact CG1-CG1 4.14Å; V145-V165 HydrophobicContact CG2-CG1 3.98Å
166Y98.1Very high88.3Confident24 Ų2459 Ų599%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-104.4128.8155.6-62.4-19.2000107.8F143 L144 F146 F199 I201 E206 A209F143-Y166 WeakPolarHBondContact CA-O 3.32Å; L144-Y166 PolarHBondContact N-O 3.24Å; L144-Y166 PolarHBondContact O-N 2.96Å; F146-Y166 HydrophobicContact CE2-CD1 4.09Å; F146-Y166 AromaticContact CE2-CD2 3.63Å; F146-Y166 HydrophobicContact CE2-CD2 3.63Å; F146-Y166 HydrophobicContact CE2-CE1 4.27Å; F146-Y166 AromaticContact CE2-CE2 3.83Å; F146-Y166 HydrophobicContact CE2-CE2 3.83Å; F146-Y166 AromaticContact CE2-CG 3.76Å; F146-Y166 HydrophobicContact CE2-CG 3.76Å; F146-Y166 AromaticContact CZ-CD2 3.63Å; F146-Y166 HydrophobicContact CZ-CD2 3.63Å; F146-Y166 AromaticContact CZ-CE2 3.58Å; F146-Y166 HydrophobicContact CZ-CE2 3.58Å; F146-Y166 HydrophobicContact CZ-CG 4.25Å; Y166-F199 AromaticContact CD2-CD1 3.95Å; Y166-F199 HydrophobicContact CD2-CD1 3.95Å; Y166-F199 AromaticContact CD2-CE1 3.97Å; Y166-F199 HydrophobicContact CD2-CE1 3.97Å; Y166-F199 HydrophobicContact CD2-CG 4.36Å; Y166-F199 HydrophobicContact CD2-CZ 4.39Å; Y166-F199 HydrophobicContact CE2-CB 4.32Å; Y166-F199 AromaticContact CE2-CD1 3.8Å; Y166-F199 HydrophobicContact CE2-CD1 3.8Å; Y166-F199 HydrophobicContact CE2-CE1 4.29Å; Y166-F199 HydrophobicContact CE2-CG 4.07Å; Y166-I201 HydrophobicContact CE2-CG2 4.14Å; Y166-E206 WeakPolarHBondContact CA-OE2 3.43Å; Y166-E206 VanDerWaalsContact CB-CD 3.43Å; Y166-E206 HydrophobicContact CD1-CB 3.59Å; Y166-E206 HydrophobicContact CD1-CG 3.83Å; Y166-E206 HydrophobicContact CD2-CG 4.38Å; Y166-E206 HydrophobicContact CE1-CB 4.01Å; Y166-E206 HydrophobicContact CG-CB 4.09Å; Y166-E206 HydrophobicContact CG-CG 3.77Å; Y166-A209 HydrophobicContact CE2-CB 4.16Å; Y166-A209 VanDerWaalsContact OH-CB 3.23Å; Y166-A209 WeakPolarHBondContact OH-CB 3.46Å
167S96.1Very high91Very high51 Ų5154.4 Ų54.436%0.35730%0.304SS..  trans-128.2-7.2-168.9550000114.6E206S167-E206 PolarHBondContact N-OE1 2.65Å; S167-E206 PolarHBondContact N-OE2 3.4Å
168E95.6Very high93.1Very high144 Ų14450.3 Ų50.367%0.67327%0.274SS*.SBendtrans-114.9-11.2-171.2-59.4-170.7146.200113E206E168-E206 WeakPolarHBondContact CA-OE1 3.35Å; E168-E206 PolarHBondContact N-OE1 3.09Å; E168-E206 PolarHBondContact N-OE2 2.86Å
169S95.7Very high94.9Very high16 Ų1648.2 Ų48.211%0.11226%0.261CS..SBendtrans-79.5-26.1-175.3-630000115N197 F199 E206S169-N197 PolarHBondContact O-ND2 3.27Å; S169-F199 VanDerWaalsContact OG-CE1 3.3Å; S169-F199 WeakPolarHBondContact OG-CE1 3.33Å; S169-F199 WeakPolarHBondContact OG-CZ 3.44Å; S169-E206 VanDerWaalsContact CB-OE1 3.27Å; S169-E206 WeakPolarHBondContact CB-OE1 3.39Å; S169-E206 PolarHBondContact N-OE1 3.04Å; S169-E206 PolarHBondContact OG-OE1 2.98Å
170H98Very high96.1Very high6 Ų645.4 Ų45.43%0.02824%0.241CC..  trans-129.6144.5-179.9-78-59.7000111.2I174 S189 S191 D193 L195 N197H170-I174 HydrophobicContact CB-CD1 4.47Å; H170-I174 HydrophobicContact CB-CG1 4.11Å; H170-S189 PolarHBondContact CD2-OG 2.79Å; H170-S189 PolarHBondContact NE2-OG 3.33Å; H170-S191 VanDerWaalsContact CE1-CB 3.5Å; H170-S191 WeakPolarHBondContact CE1-CB 3.42Å; H170-S191 WeakPolarHBondContact ND1-CB 3.46Å; H170-D193 VanDerWaalsContact CA-OD2 3.3Å; H170-D193 WeakPolarHBondContact CA-OD2 3.24Å; H170-D193 IonicContact CE1-OD1 3.78Å; H170-D193 IonicContact CG-OD2 2.85Å; H170-D193 IonicContact ND1-OD1 2.61Å; H170-D193 PolarHBondContact ND1-OD1 3.37Å; H170-D193 IonicContact ND1-OD2 3.06Å; H170-D193 PolarHBondContact ND1-OD2 2.88Å; H170-L195 PolarHBondContact CE1-O 2.72Å; H170-N197 PolarHBondContact CE1-ND2 3.12Å; H170-N197 PolarHBondContact ND1-ND2 3.02Å; H170-N197 PolarHBondContact NE2-ND2 2.82Å; H170-N197 VanDerWaalsContact NE2-ND2 3.18Å
171N97Very high96.7Very high108 Ų10846 Ų4658%0.57825%0.249SC*.SBendtrans-107.8-1-178.7-73.9-70.8000113.7K137 D193K137-N171 WeakPolarHBondContact CD-O 3.29Å; K137-N171 VanDerWaalsContact CE-O 3.32Å; K137-N171 WeakPolarHBondContact CE-O 3.15Å; K137-N171 PolarHBondContact NZ-O 2.86Å; N171-D193 PolarHBondContact N-OD2 3Å
172D98.3Very high97.1Very high58 Ų5843.9 Ų43.931%0.3124%0.241SC..SBendtrans-153.9171.6-177.3-148.6-19.9000110.9T142 I174 S191 T192 D193T142-D172 WeakPolarHBondContact CG2-O 3.31Å; D172-I174 PolarHBondContact O-N 3.25Å; D172-S191 VanDerWaalsContact C-OG 3.23Å; D172-S191 PolarHBondContact O-OG 3.21Å; D172-T192 WeakPolarHBondContact CB-OG1 3.38Å; D172-T192 PolarHBondContact OD1-OG1 2.78Å; D172-T192 PolarHBondContact OD2-OG1 3.04Å; D172-D193 HydrophobicContact CB-CB 3.95Å
173D98.5Very high97.3Very high47 Ų4747.3 Ų47.325%0.25125%0.254SS..  trans-36.2124.6-174-68.6-10.7000114.3I120 E136 K137 T175 S191 T192I120-D173 HydrophobicContact CD1-CB 3.7Å; E136-D173 VanDerWaalsContact CA-OD1 3.23Å; E136-D173 WeakPolarHBondContact CA-OD1 3.23Å; K137-D173 PolarHBondContact N-OD1 2.87Å; D173-T175 PolarHBondContact O-N 3.17Å; D173-T175 VanDerWaalsContact O-N 3.16Å; D173-S191 CarbonylContact O-C 3.55Å; D173-S191 WeakPolarHBondContact O-CA 3.23Å; D173-S191 WeakPolarHBondContact O-CB 3.49Å; D173-S191 PolarHBondContact O-OG 2.52Å; D173-S191 VanDerWaalsContact O-OG 3.09Å; D173-T192 HydrophobicContact CB-CG2 3.82Å; D173-T192 PolarHBondContact N-OG1 2.8Å; D173-T192 PolarHBondContact O-N 3.33Å
174I98.7Very high97.4Very high1 Ų144.7 Ų44.71%0.00524%0.244CC..  trans-85.491.7176.1-61.8160.9000109.3I120 S121 T135 T142 F143 L144 H170 D172 R176 I177 G190I120-I174 WeakPolarHBondContact CD1-O 3.37Å; I120-I174 WeakPolarHBondContact CG1-O 3.24Å; S121-I174 WeakPolarHBondContact CB-O 3.43Å; S121-I174 PolarHBondContact OG-O 2.86Å; T135-I174 PolarHBondContact O-N 2.81Å; T142-I174 HydrophobicContact CG2-CD1 3.64Å; T142-I174 HydrophobicContact CG2-CG1 3.67Å; F143-I174 VanDerWaalsContact C-CD1 3.42Å; F143-I174 WeakPolarHBondContact O-CD1 3.29Å; L144-I174 HydrophobicContact CD1-CD1 3.61Å; L144-I174 HydrophobicContact CG-CD1 3.89Å; H170-I174 HydrophobicContact CB-CD1 4.47Å; H170-I174 HydrophobicContact CB-CG1 4.11Å; D172-I174 PolarHBondContact O-N 3.25Å; I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 2.5Å; I174-I177 HydrophobicContact CG2-CD1 4.29Å; I174-I177 HydrophobicContact CG2-CG1 3.99Å; I174-G190 CarbonylContact C-O 3.56Å
175T98.3Very high97.5Very high25 Ų2543.8 Ų43.815%0.15323%0.234CC..  trans-73.2-24.3-17255.80000113.4S121 D173 G190 T192 V220S121-T175 WeakPolarHBondContact CB-O 3.45Å; D173-T175 PolarHBondContact O-N 3.17Å; D173-T175 VanDerWaalsContact O-N 3.16Å; T175-G190 PolarHBondContact N-O 3.38Å; T175-G190 PolarHBondContact OG1-O 2.97Å; T175-T192 HydrophobicContact CG2-CG2 3.51Å; T175-V220 WeakPolarHBondContact CB-O 3.15Å; T175-V220 WeakPolarHBondContact CG2-O 3.46Å; T175-V220 PolarHBondContact OG1-O 3.47Å
176R98.2Very high97.6Very high59 Ų5942.7 Ų42.722%0.22323%0.227CC..EExtended strand (participates in β ladder)trans-151.5142.4-178.3-153.270.1174.1-173.70.3112.4I174 S189 G190 I223I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 2.5Å; R176-S189 CarbonylContact O-C 3.44Å; R176-S189 VanDerWaalsContact O-CA 3.3Å; R176-S189 WeakPolarHBondContact O-CA 3.49Å; R176-G190 PolarHBondContact N-O 2.64Å; R176-G190 PolarHBondContact O-N 3.14Å; R176-I223 HydrophobicContact CB-CD1 3.84Å; R176-I223 HydrophobicContact CB-CG1 3.91Å; R176-I223 HydrophobicContact CG-CD1 4.06Å; R176-I223 HydrophobicContact CG-CG1 3.7Å; R176-I223 WeakPolarHBondContact O-CD1 3.45Å
177I98.6Very high97.6Very high2 Ų241.5 Ų41.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-128.2138.4168.9-68.2165.8000107.1D123 C132 I174 V187 V188D123-I177 HydrophobicContact CB-CB 4.5Å; D123-I177 HydrophobicContact CB-CG2 3.96Å; C132-I177 HydrophobicContact CB-CG2 4.14Å; I174-I177 HydrophobicContact CG2-CD1 4.29Å; I174-I177 HydrophobicContact CG2-CG1 3.99Å; I177-V187 HydrophobicContact CG2-CG2 3.65Å; I177-V188 WeakPolarHBondContact CA-O 3.42Å
178C98.4Very high97.7Very high28 Ų2839.1 Ų39.119%0.18921%0.205CC..EExtended strand (participates in β ladder)trans-143.6112.4176.2-172.60000110.3D123 V188 I223 W225D123-C178 WeakPolarHBondContact OD2-CA 3.3Å; C178-V188 HydrophobicContact CB-CG1 3.82Å; C178-V188 PolarHBondContact N-O 3.31Å; C178-V188 WeakPolarHBondContact O-CG1 3.33Å; C178-V188 PolarHBondContact O-N 3.32Å; C178-I223 HydrophobicContact CB-CD1 4.26Å; C178-I223 HydrophobicContact CB-CG1 3.97Å; C178-W225 PolarHBondContact O-NE1 3.13Å
179F98.7Very high97.9Very high7 Ų732.2 Ų32.23%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-69.7147.5171.4-82.4-77.3000110.9D123 I124 N125 V130 C132 V187 I201 W225D123-F179 HydrophobicContact CB-CD2 3.8Å; D123-F179 HydrophobicContact CB-CE2 4.42Å; D123-F179 WeakPolarHBondContact O-CE2 3.14Å; D123-F179 PolarHBondContact OD2-N 3.47Å; I124-F179 VanDerWaalsContact C-CD2 3.4Å; N125-F179 VanDerWaalsContact CA-CG 3.47Å; N125-F179 HydrophobicContact CB-CB 4.2Å; N125-F179 HydrophobicContact CB-CD1 3.45Å; N125-F179 VanDerWaalsContact CB-CD1 3.45Å; N125-F179 HydrophobicContact CB-CD2 4.03Å; N125-F179 HydrophobicContact CB-CE1 3.71Å; N125-F179 HydrophobicContact CB-CE2 4.25Å; N125-F179 HydrophobicContact CB-CG 3.63Å; N125-F179 HydrophobicContact CB-CZ 4.1Å; N125-F179 VanDerWaalsContact N-CD2 3.32Å; V130-F179 HydrophobicContact CB-CZ 4.47Å; V130-F179 HydrophobicContact CG1-CZ 4.11Å; C132-F179 HydrophobicContact CB-CE2 3.65Å; C132-F179 HydrophobicContact CB-CZ 3.62Å; F179-V187 HydrophobicContact CD1-CB 3.72Å; F179-V187 HydrophobicContact CD1-CG2 4Å; F179-V187 HydrophobicContact CD2-CG2 4.47Å; F179-V187 HydrophobicContact CE1-CB 3.77Å; F179-V187 HydrophobicContact CE1-CG1 4.47Å; F179-V187 HydrophobicContact CE1-CG2 4.05Å; F179-V187 HydrophobicContact CG-CB 4.39Å; F179-V187 HydrophobicContact CG-CG2 4.21Å; F179-V187 HydrophobicContact CZ-CB 4.47Å; F179-V187 HydrophobicContact CZ-CG2 4.31Å; F179-I201 HydrophobicContact CE1-CD1 3.95Å; F179-W225 PolarHBondContact O-NE1 2.98Å
180H98.4Very high98Very high2 Ų231.5 Ų31.51%0.00917%0.168CC..  trans-65.2132.6177.8-171.7-73.6000110.4I182 K183 L186 W225 Y230H180-I182 WeakPolarHBondContact CE1-CG1 3.28Å; H180-I182 WeakPolarHBondContact ND1-CG1 3.37Å; H180-I182 PolarHBondContact ND1-N 2.9Å; H180-I182 PolarHBondContact O-N 3.07Å; H180-I182 VanDerWaalsContact O-N 3.08Å; H180-K183 HydrophobicContact CB-CB 4.26Å; H180-K183 PolarHBondContact ND1-N 2.9Å; H180-K183 VanDerWaalsContact ND1-N 3.18Å; H180-L186 HydrophobicContact CB-CB 3.52Å; H180-L186 WeakPolarHBondContact CB-O 3.18Å; H180-L186 PolarHBondContact N-O 2.99Å; H180-W225 HydrophobicContact CB-CD2 4.36Å; H180-W225 HydrophobicContact CB-CH2 4.46Å; H180-W225 HydrophobicContact CB-CZ2 3.95Å; H180-W225 AromaticContact CD2-CD2 3.81Å; H180-W225 AromaticContact CD2-CE3 3.55Å; H180-W225 AromaticContact CD2-CH2 3.84Å; H180-W225 AromaticContact CD2-CZ3 3.57Å; H180-Y230 WeakPolarHBondContact NE2-CB 3.42Å; H180-Y230 PolarHBondContact NE2-O 3.31Å
181P95.7Very high98.1Very high48 Ų4831.2 Ų31.231%0.31217%0.166SC..SBendtrans-63.2-25.1-168.9-3039.5000115.8C126 W225 Y230C126-P181 VanDerWaalsContact CB-O 3.23Å; C126-P181 WeakPolarHBondContact CB-O 3.19Å; P181-W225 HydrophobicContact CG-CB 4.44Å; P181-Y230 HydrophobicContact CB-CD1 4.5Å; P181-Y230 HydrophobicContact CB-CD2 4.16Å; P181-Y230 HydrophobicContact CB-CE1 4.18Å; P181-Y230 HydrophobicContact CB-CE2 3.84Å; P181-Y230 HydrophobicContact CB-CG 4.45Å; P181-Y230 HydrophobicContact CG-CD1 3.74Å; P181-Y230 HydrophobicContact CG-CD2 4.23Å; P181-Y230 HydrophobicContact CG-CE1 3.59Å; P181-Y230 HydrophobicContact CG-CE2 4.12Å; P181-Y230 HydrophobicContact CG-CG 4.03Å
182I96.4Very high98.2Very high90 Ų9027.6 Ų27.646%0.46215%0.148SC..SBendtrans-123.5-10.9-176.859.6170000115H180 Y230H180-I182 WeakPolarHBondContact CE1-CG1 3.28Å; H180-I182 WeakPolarHBondContact ND1-CG1 3.37Å; H180-I182 PolarHBondContact ND1-N 2.9Å; H180-I182 PolarHBondContact O-N 3.07Å; H180-I182 VanDerWaalsContact O-N 3.08Å; I182-Y230 HydrophobicContact CD1-CD2 4.19Å; I182-Y230 HydrophobicContact CG1-CD2 4.14Å; I182-Y230 HydrophobicContact CG2-CD2 4.46Å; I182-Y230 HydrophobicContact CG2-CE2 4.36Å
183K97.6Very high98.2Very high90 Ų9026.9 Ų26.939%0.39114%0.144SC..  trans-121.2103.9-174.3-72.7173.9-174.3166.70108.6H180 G185 L186H180-K183 HydrophobicContact CB-CB 4.26Å; H180-K183 PolarHBondContact ND1-N 2.9Å; H180-K183 VanDerWaalsContact ND1-N 3.18Å; K183-G185 PolarHBondContact O-N 2.83Å; K183-G185 VanDerWaalsContact O-N 3.08Å; K183-L186 HydrophobicContact CB-CB 4.35Å; K183-L186 HydrophobicContact CB-CD1 4.23Å; K183-L186 HydrophobicContact CB-CG 4.17Å; K183-L186 HydrophobicContact CD-CD1 3.59Å; K183-L186 HydrophobicContact CD-CG 4.31Å; K183-L186 PolarHBondContact O-N 2.61Å; K183-L186 VanDerWaalsContact O-N 3.1Å
184P96.8Very high98.2Very high59 Ų5924.7 Ų24.738%0.38313%0.133SC..THydrogen-bonded Turntrans-67.4-16.7-167.525.5-35000114.7N125 S127N125-P184 WeakPolarHBondContact ND2-CB 3.21Å; N125-P184 PolarHBondContact ND2-O 2.65Å; S127-P184 WeakPolarHBondContact OG-CB 3.42Å
185G97.6Very high98.2Very high5 Ų526.7 Ų26.75%0.05214%0.144CC..THydrogen-bonded Turntrans-92.4-5.3177.400000115K183 D200 I201K183-G185 PolarHBondContact O-N 2.83Å; K183-G185 VanDerWaalsContact O-N 3.08Å; G185-D200 CarbonylContact O-C 3.54Å; G185-D200 WeakPolarHBondContact O-CA 3.34Å; G185-I201 VanDerWaalsContact O-CG1 3.26Å; G185-I201 WeakPolarHBondContact O-CG1 3.37Å; G185-I201 PolarHBondContact O-N 3.25Å
186L98.5Very high98.2Very high26 Ų2625.5 Ų25.514%0.13614%0.136CC..EExtended strand (participates in β ladder)trans-100.7133.4179.8-66.1-171.8000111.2H180 K183 F199 D200 I211 W225H180-L186 HydrophobicContact CB-CB 3.52Å; H180-L186 WeakPolarHBondContact CB-O 3.18Å; H180-L186 PolarHBondContact N-O 2.99Å; K183-L186 HydrophobicContact CB-CB 4.35Å; K183-L186 HydrophobicContact CB-CD1 4.23Å; K183-L186 HydrophobicContact CB-CG 4.17Å; K183-L186 HydrophobicContact CD-CD1 3.59Å; K183-L186 HydrophobicContact CD-CG 4.31Å; K183-L186 PolarHBondContact O-N 2.61Å; K183-L186 VanDerWaalsContact O-N 3.1Å; L186-F199 WeakPolarHBondContact CA-O 3.18Å; L186-F199 WeakPolarHBondContact CD2-O 3.46Å; L186-D200 HydrophobicContact CD2-CB 3.9Å; L186-I211 HydrophobicContact CD2-CD1 3.59Å; L186-W225 HydrophobicContact CB-CH2 4.24Å; L186-W225 HydrophobicContact CB-CZ2 4.38Å
187V98.8Very high98.2Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-140.1143.7176.363.90000109.9I177 F179 F199 I201I177-V187 HydrophobicContact CG2-CG2 3.65Å; F179-V187 HydrophobicContact CD1-CB 3.72Å; F179-V187 HydrophobicContact CD1-CG2 4Å; F179-V187 HydrophobicContact CD2-CG2 4.47Å; F179-V187 HydrophobicContact CE1-CB 3.77Å; F179-V187 HydrophobicContact CE1-CG1 4.47Å; F179-V187 HydrophobicContact CE1-CG2 4.05Å; F179-V187 HydrophobicContact CG-CB 4.39Å; F179-V187 HydrophobicContact CG-CG2 4.21Å; F179-V187 HydrophobicContact CZ-CB 4.47Å; F179-V187 HydrophobicContact CZ-CG2 4.31Å; V187-F199 HydrophobicContact CG1-CB 3.86Å; V187-F199 HydrophobicContact CG1-CD2 4.2Å; V187-F199 HydrophobicContact CG1-CG 4.46Å; V187-F199 PolarHBondContact N-O 2.85Å; V187-F199 VanDerWaalsContact N-O 3.1Å; V187-F199 PolarHBondContact O-N 3.06Å; V187-I201 HydrophobicContact CG1-CG2 3.68Å
188V98.8Very high98.2Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-115.2139.3170.664.50000109.1I177 C178 V196 N197 V198 I223 W225 V233I177-V188 WeakPolarHBondContact CA-O 3.42Å; C178-V188 HydrophobicContact CB-CG1 3.82Å; C178-V188 PolarHBondContact N-O 3.31Å; C178-V188 WeakPolarHBondContact O-CG1 3.33Å; C178-V188 PolarHBondContact O-N 3.32Å; V188-V196 HydrophobicContact CG2-CG1 3.38Å; V188-N197 CarbonylContact C-O 3.5Å; V188-N197 VanDerWaalsContact CA-O 3.27Å; V188-N197 WeakPolarHBondContact CA-O 3.34Å; V188-N197 WeakPolarHBondContact CG2-O 3.2Å; V188-V198 HydrophobicContact CG2-CG2 4.07Å; V188-I223 HydrophobicContact CB-CD1 4.39Å; V188-I223 HydrophobicContact CG1-CD1 3.76Å; V188-I223 HydrophobicContact CG1-CG1 4.02Å; V188-I223 HydrophobicContact CG2-CD1 4.22Å; V188-I223 VanDerWaalsContact O-CD1 3.29Å; V188-I223 WeakPolarHBondContact O-CD1 3.33Å; V188-W225 HydrophobicContact CB-CH2 4.46Å; V188-W225 HydrophobicContact CB-CZ2 3.8Å; V188-W225 HydrophobicContact CG1-CZ2 3.94Å; V188-V233 HydrophobicContact CG2-CG1 4.48Å
189S98.9Very high98.2Very high0 Ų021.3 Ų21.30%012%0.117CC..EExtended strand (participates in β ladder)trans-12115117162.10000110.9H170 R176 V196 N197 F199H170-S189 PolarHBondContact CD2-OG 2.79Å; H170-S189 PolarHBondContact NE2-OG 3.33Å; R176-S189 CarbonylContact O-C 3.44Å; R176-S189 VanDerWaalsContact O-CA 3.3Å; R176-S189 WeakPolarHBondContact O-CA 3.49Å; S189-V196 CarbonylContact O-C 3.52Å; S189-V196 VanDerWaalsContact O-CA 3.24Å; S189-V196 WeakPolarHBondContact O-CA 3.23Å; S189-N197 PolarHBondContact N-O 3.37Å; S189-N197 PolarHBondContact O-N 3.28Å; S189-F199 WeakPolarHBondContact OG-CE2 3.38Å
190G98.8Very high98.2Very high0 Ų022.6 Ų22.60%012%0.124CC..EExtended strand (participates in β ladder)trans-129.8146.2173.400000110.1I174 T175 R176I174-G190 CarbonylContact C-O 3.56Å; T175-G190 PolarHBondContact N-O 3.38Å; T175-G190 PolarHBondContact OG1-O 2.97Å; R176-G190 PolarHBondContact N-O 2.64Å; R176-G190 PolarHBondContact O-N 3.14Å
191S98.8Very high98.2Very high0 Ų024.1 Ų24.10%013%0.132CC..  trans-134.3161.3-176.6166.50000112.9H170 D172 D173 D193 G194 L195 V220H170-S191 VanDerWaalsContact CE1-CB 3.5Å; H170-S191 WeakPolarHBondContact CE1-CB 3.42Å; H170-S191 WeakPolarHBondContact ND1-CB 3.46Å; D172-S191 VanDerWaalsContact C-OG 3.23Å; D172-S191 PolarHBondContact O-OG 3.21Å; D173-S191 CarbonylContact O-C 3.55Å; D173-S191 WeakPolarHBondContact O-CA 3.23Å; D173-S191 WeakPolarHBondContact O-CB 3.49Å; D173-S191 PolarHBondContact O-OG 2.52Å; D173-S191 VanDerWaalsContact O-OG 3.09Å; S191-D193 WeakPolarHBondContact CB-OD1 3.37Å; S191-D193 PolarHBondContact O-N 2.52Å; S191-D193 PolarHBondContact OG-N 3.27Å; S191-D193 PolarHBondContact OG-OD1 2.86Å; S191-D193 PolarHBondContact OG-OD2 2.73Å; S191-G194 PolarHBondContact O-N 2.87Å; S191-L195 PolarHBondContact N-O 2.92Å; S191-L195 VanDerWaalsContact N-O 3.16Å; S191-V220 VanDerWaalsContact O-CB 3.3Å; S191-V220 WeakPolarHBondContact O-CB 3.3Å; S191-V220 WeakPolarHBondContact O-CG2 3.46Å; S191-V220 PolarHBondContact O-N 2.84Å
192T98.7Very high98.3Very high32 Ų3227.5 Ų27.520%0.19615%0.147CC..THydrogen-bonded Turntrans-64.4-14.3169.155.70000113.3D172 D173 T175 G194 S219D172-T192 WeakPolarHBondContact CB-OG1 3.38Å; D172-T192 PolarHBondContact OD1-OG1 2.78Å; D172-T192 PolarHBondContact OD2-OG1 3.04Å; D173-T192 HydrophobicContact CB-CG2 3.82Å; D173-T192 PolarHBondContact N-OG1 2.8Å; D173-T192 PolarHBondContact O-N 3.33Å; T175-T192 HydrophobicContact CG2-CG2 3.51Å; T192-G194 PolarHBondContact O-N 3.19Å; T192-S219 WeakPolarHBondContact CA-OG 3.37Å; T192-S219 WeakPolarHBondContact CB-OG 3.14Å; T192-S219 WeakPolarHBondContact CG2-OG 3.38Å
193D98.3Very high98.3Very high43 Ų4328.2 Ų28.223%0.2315%0.147CC..THydrogen-bonded Turntrans-69.3-7171.268.813.6000113.9H170 N171 D172 S191 L195H170-D193 VanDerWaalsContact CA-OD2 3.3Å; H170-D193 WeakPolarHBondContact CA-OD2 3.24Å; H170-D193 IonicContact CE1-OD1 3.78Å; H170-D193 IonicContact CG-OD2 2.85Å; H170-D193 IonicContact ND1-OD1 2.61Å; H170-D193 PolarHBondContact ND1-OD1 3.37Å; H170-D193 IonicContact ND1-OD2 3.06Å; H170-D193 PolarHBondContact ND1-OD2 2.88Å; N171-D193 PolarHBondContact N-OD2 3Å; D172-D193 HydrophobicContact CB-CB 3.95Å; S191-D193 WeakPolarHBondContact CB-OD1 3.37Å; S191-D193 PolarHBondContact O-N 2.52Å; S191-D193 PolarHBondContact OG-N 3.27Å; S191-D193 PolarHBondContact OG-OD1 2.86Å; S191-D193 PolarHBondContact OG-OD2 2.73Å; D193-L195 WeakPolarHBondContact OD1-CA 3.36Å; D193-L195 VanDerWaalsContact OD1-CB 3.23Å; D193-L195 WeakPolarHBondContact OD1-CB 3.28Å; D193-L195 WeakPolarHBondContact OD1-CG 3.45Å; D193-L195 PolarHBondContact OD1-N 3.13Å
194G98.4Very high98Very high2 Ų231.6 Ų31.62%0.02117%0.169CC..SBendtrans86.14.7178.100000115S191 T192 N215 S216 S218S191-G194 PolarHBondContact O-N 2.87Å; T192-G194 PolarHBondContact O-N 3.19Å; G194-N215 PolarHBondContact O-OD1 3.32Å; G194-S216 PolarHBondContact O-N 3.43Å; G194-S216 PolarHBondContact O-OG 3.25Å; G194-S218 WeakPolarHBondContact CA-O 3.22Å
195L98.7Very high97.9Very high42 Ų4232 Ų3222%0.2217%0.169CC..EExtended strand (participates in β ladder)trans-96146.9178.1-53.7-179.1000111.6H170 S191 D193 T213 N215H170-L195 PolarHBondContact CE1-O 2.72Å; S191-L195 PolarHBondContact N-O 2.92Å; S191-L195 VanDerWaalsContact N-O 3.16Å; D193-L195 WeakPolarHBondContact OD1-CA 3.36Å; D193-L195 VanDerWaalsContact OD1-CB 3.23Å; D193-L195 WeakPolarHBondContact OD1-CB 3.28Å; D193-L195 WeakPolarHBondContact OD1-CG 3.45Å; D193-L195 PolarHBondContact OD1-N 3.13Å; L195-T213 HydrophobicContact CB-CG2 4.22Å; L195-T213 HydrophobicContact CD1-CG2 4.09Å; L195-T213 HydrophobicContact CD2-CG2 3.96Å; L195-T213 HydrophobicContact CG-CG2 4.31Å; L195-N215 HydrophobicContact CD2-CB 4.25Å
196V98.9Very high97.9Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-121.1111168.7178.50000107.4V188 S189 C214 V220 I223 C235 W245V188-V196 HydrophobicContact CG2-CG1 3.38Å; S189-V196 CarbonylContact O-C 3.52Å; S189-V196 VanDerWaalsContact O-CA 3.24Å; S189-V196 WeakPolarHBondContact O-CA 3.23Å; V196-C214 HydrophobicContact CB-CB 4.24Å; V196-C214 PolarHBondContact N-O 2.99Å; V196-C214 PolarHBondContact O-N 2.93Å; V196-V220 HydrophobicContact CG2-CG1 4.4Å; V196-V220 HydrophobicContact CG2-CG2 3.81Å; V196-I223 HydrophobicContact CG1-CG2 4.39Å; V196-I223 HydrophobicContact CG2-CG2 4.25Å; V196-C235 HydrophobicContact CG2-CB 3.79Å; V196-W245 HydrophobicContact CG2-CH2 4.21Å; V196-W245 HydrophobicContact CG2-CZ3 4.32Å
197N98.8Very high97.8Very high1 Ų137.2 Ų37.21%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-103.9136.9-177-71.3-43.3000111S169 H170 V188 S189 F199 L210 S212 T213S169-N197 PolarHBondContact O-ND2 3.27Å; H170-N197 PolarHBondContact CE1-ND2 3.12Å; H170-N197 PolarHBondContact ND1-ND2 3.02Å; H170-N197 PolarHBondContact NE2-ND2 2.82Å; H170-N197 VanDerWaalsContact NE2-ND2 3.18Å; V188-N197 CarbonylContact C-O 3.5Å; V188-N197 VanDerWaalsContact CA-O 3.27Å; V188-N197 WeakPolarHBondContact CA-O 3.34Å; V188-N197 WeakPolarHBondContact CG2-O 3.2Å; S189-N197 PolarHBondContact N-O 3.37Å; S189-N197 PolarHBondContact O-N 3.28Å; N197-F199 HydrophobicContact CB-CD2 4.34Å; N197-F199 HydrophobicContact CB-CE1 4.49Å; N197-F199 HydrophobicContact CB-CE2 3.39Å; N197-F199 HydrophobicContact CB-CZ 3.49Å; N197-F199 VanDerWaalsContact CB-CZ 3.49Å; N197-L210 HydrophobicContact CB-CD1 3.89Å; N197-S212 WeakPolarHBondContact CA-O 3.4Å; N197-T213 VanDerWaalsContact OD1-CB 3.29Å; N197-T213 WeakPolarHBondContact OD1-CB 3.3Å; N197-T213 VanDerWaalsContact OD1-CG2 3.23Å; N197-T213 WeakPolarHBondContact OD1-CG2 3.29Å; N197-T213 PolarHBondContact OD1-OG1 3.03Å
198V98.8Very high97.8Very high1 Ų142 Ų421%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-112.4128.6178-174.50000108.9V188 I211 S212 W225 V233 L247V188-V198 HydrophobicContact CG2-CG2 4.07Å; V198-I211 HydrophobicContact CB-CB 4.45Å; V198-I211 HydrophobicContact CG1-CB 4.38Å; V198-I211 HydrophobicContact CG1-CD1 4.23Å; V198-I211 WeakPolarHBondContact O-CB 3.46Å; V198-I211 PolarHBondContact O-N 3.12Å; V198-S212 PolarHBondContact N-O 3.24Å; V198-S212 PolarHBondContact O-N 2.98Å; V198-W225 HydrophobicContact CG1-CH2 3.71Å; V198-W225 HydrophobicContact CG1-CZ3 4.41Å; V198-V233 HydrophobicContact CG2-CG1 4.27Å; V198-V233 HydrophobicContact CG2-CG2 4.45Å; V198-L247 HydrophobicContact CG1-CD1 4.09Å; V198-L247 HydrophobicContact CG2-CD1 4.16Å; V198-L247 HydrophobicContact CG2-CD2 4.27Å
199F98.8Very high97.7Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-123.9147.1-176.6-55.1-91.2000113.1L144 Y166 S169 L186 V187 S189 N197 I201 A209 L210L144-F199 HydrophobicContact CD2-CE2 4.2Å; Y166-F199 AromaticContact CD2-CD1 3.95Å; Y166-F199 HydrophobicContact CD2-CD1 3.95Å; Y166-F199 AromaticContact CD2-CE1 3.97Å; Y166-F199 HydrophobicContact CD2-CE1 3.97Å; Y166-F199 HydrophobicContact CD2-CG 4.36Å; Y166-F199 HydrophobicContact CD2-CZ 4.39Å; Y166-F199 HydrophobicContact CE2-CB 4.32Å; Y166-F199 AromaticContact CE2-CD1 3.8Å; Y166-F199 HydrophobicContact CE2-CD1 3.8Å; Y166-F199 HydrophobicContact CE2-CE1 4.29Å; Y166-F199 HydrophobicContact CE2-CG 4.07Å; S169-F199 VanDerWaalsContact OG-CE1 3.3Å; S169-F199 WeakPolarHBondContact OG-CE1 3.33Å; S169-F199 WeakPolarHBondContact OG-CZ 3.44Å; L186-F199 WeakPolarHBondContact CA-O 3.18Å; L186-F199 WeakPolarHBondContact CD2-O 3.46Å; V187-F199 HydrophobicContact CG1-CB 3.86Å; V187-F199 HydrophobicContact CG1-CD2 4.2Å; V187-F199 HydrophobicContact CG1-CG 4.46Å; V187-F199 PolarHBondContact N-O 2.85Å; V187-F199 VanDerWaalsContact N-O 3.1Å; V187-F199 PolarHBondContact O-N 3.06Å; S189-F199 WeakPolarHBondContact OG-CE2 3.38Å; N197-F199 HydrophobicContact CB-CD2 4.34Å; N197-F199 HydrophobicContact CB-CE1 4.49Å; N197-F199 HydrophobicContact CB-CE2 3.39Å; N197-F199 HydrophobicContact CB-CZ 3.49Å; N197-F199 VanDerWaalsContact CB-CZ 3.49Å; F199-I201 HydrophobicContact CB-CG2 4.35Å; F199-A209 CarbonylContact C-O 3.56Å; F199-A209 WeakPolarHBondContact CA-O 3.25Å; F199-A209 HydrophobicContact CD1-CB 4.26Å; F199-L210 HydrophobicContact CD1-CB 4.17Å; F199-L210 HydrophobicContact CD1-CD1 4.08Å; F199-L210 HydrophobicContact CE1-CB 4.08Å; F199-L210 HydrophobicContact CE1-CD1 3.61Å; F199-L210 HydrophobicContact CE1-CG 4.42Å; F199-L210 HydrophobicContact CZ-CD1 3.95Å
200D98.3Very high97.7Very high33 Ų3344.9 Ų44.918%0.17624%0.235CC..EExtended strand (participates in β ladder)trans-102.2101.8157.3-176.14.8000109.6G185 L186 N202 K203 A209 I211G185-D200 CarbonylContact O-C 3.54Å; G185-D200 WeakPolarHBondContact O-CA 3.34Å; L186-D200 HydrophobicContact CD2-CB 3.9Å; D200-N202 PolarHBondContact O-N 3.07Å; D200-N202 VanDerWaalsContact O-N 3.13Å; D200-N202 WeakPolarHBondContact OD1-CB 3.45Å; D200-N202 PolarHBondContact OD1-N 3.3Å; D200-N202 VanDerWaalsContact OD1-N 3.14Å; D200-N202 PolarHBondContact OD1-ND2 2.94Å; D200-K203 HydrophobicContact CB-CG 4.14Å; D200-K203 WeakPolarHBondContact O-CB 3.46Å; D200-K203 WeakPolarHBondContact O-CG 3.2Å; D200-K203 PolarHBondContact O-N 3.25Å; D200-K203 VanDerWaalsContact OD2-CE 3.3Å; D200-K203 WeakPolarHBondContact OD2-CE 3.4Å; D200-A209 PolarHBondContact N-O 2.69Å; D200-A209 WeakPolarHBondContact O-CA 3.5Å; D200-A209 VanDerWaalsContact O-CB 3.32Å; D200-A209 WeakPolarHBondContact O-CB 3.4Å; D200-I211 HydrophobicContact CB-CD1 3.89Å; D200-I211 HydrophobicContact CB-CG1 4.21Å
201I97.8Very high97.7Very high34 Ų3448.5 Ų48.517%0.17425%0.254CS..THydrogen-bonded Turntrans-76.46.4-177.564157.6000113.7V130 F146 Y166 F179 G185 V187 F199V130-I201 HydrophobicContact CB-CD1 4.29Å; V130-I201 HydrophobicContact CG1-CD1 3.9Å; V130-I201 HydrophobicContact CG2-CD1 4.3Å; F146-I201 HydrophobicContact CE1-CG2 3.89Å; F146-I201 HydrophobicContact CZ-CG2 4.22Å; Y166-I201 HydrophobicContact CE2-CG2 4.14Å; F179-I201 HydrophobicContact CE1-CD1 3.95Å; G185-I201 VanDerWaalsContact O-CG1 3.26Å; G185-I201 WeakPolarHBondContact O-CG1 3.37Å; G185-I201 PolarHBondContact O-N 3.25Å; V187-I201 HydrophobicContact CG1-CG2 3.68Å; F199-I201 HydrophobicContact CB-CG2 4.35Å
202N97.1Very high97.6Very high119 Ų11949.1 Ų49.164%0.63626%0.258SS*.THydrogen-bonded Turntrans-83.1-1.8169.3-59.6-63.9000112.9D200D200-N202 PolarHBondContact O-N 3.07Å; D200-N202 VanDerWaalsContact O-N 3.13Å; D200-N202 WeakPolarHBondContact OD1-CB 3.45Å; D200-N202 PolarHBondContact OD1-N 3.3Å; D200-N202 VanDerWaalsContact OD1-N 3.14Å; D200-N202 PolarHBondContact OD1-ND2 2.94Å
203K96.9Very high97.6Very high106 Ų10650.8 Ų50.846%0.46127%0.268SS..SBendtrans-88.2156.7-179.5-55.4-66.9-177.7177.20110.6D200 N205 D208 A209D200-K203 HydrophobicContact CB-CG 4.14Å; D200-K203 WeakPolarHBondContact O-CB 3.46Å; D200-K203 WeakPolarHBondContact O-CG 3.2Å; D200-K203 PolarHBondContact O-N 3.25Å; D200-K203 VanDerWaalsContact OD2-CE 3.3Å; D200-K203 WeakPolarHBondContact OD2-CE 3.4Å; K203-N205 VanDerWaalsContact C-N 3.34Å; K203-N205 PolarHBondContact O-N 2.81Å; K203-D208 HydrophobicContact CB-CB 4Å; K203-D208 WeakPolarHBondContact CG-O 3.4Å; K203-A209 HydrophobicContact CB-CB 4.06Å
204D91.8Very high97.6Very high161 Ų16148.8 Ų48.886%0.86126%0.258SS*.SBendtrans-73.3-25.3-168.3-67.2-28000113.5
205N94.9Very high97.6Very high68 Ų6852.7 Ų52.736%0.36428%0.278SS..SBendtrans-146.5170.8-177.862.372.9000111.4K203 D207 D208 A209K203-N205 VanDerWaalsContact C-N 3.34Å; K203-N205 PolarHBondContact O-N 2.81Å; N205-D207 PolarHBondContact OD1-N 3.12Å; N205-D208 PolarHBondContact ND2-OD2 2.85Å; N205-D208 PolarHBondContact OD1-N 3.43Å; N205-A209 WeakPolarHBondContact O-CB 3.43Å; N205-A209 PolarHBondContact O-N 3.11Å
206E97.3Very high97.5Very high20 Ų2050.9 Ų50.99%0.09327%0.269CS..Hα-helixtrans-60.3-46.9-177.7-177.8172.4-179.100113.1Y166 S167 E168 S169 D208 A209 L210Y166-E206 WeakPolarHBondContact CA-OE2 3.43Å; Y166-E206 VanDerWaalsContact CB-CD 3.43Å; Y166-E206 HydrophobicContact CD1-CB 3.59Å; Y166-E206 HydrophobicContact CD1-CG 3.83Å; Y166-E206 HydrophobicContact CD2-CG 4.38Å; Y166-E206 HydrophobicContact CE1-CB 4.01Å; Y166-E206 HydrophobicContact CG-CB 4.09Å; Y166-E206 HydrophobicContact CG-CG 3.77Å; S167-E206 PolarHBondContact N-OE1 2.65Å; S167-E206 PolarHBondContact N-OE2 3.4Å; E168-E206 WeakPolarHBondContact CA-OE1 3.35Å; E168-E206 PolarHBondContact N-OE1 3.09Å; E168-E206 PolarHBondContact N-OE2 2.86Å; S169-E206 VanDerWaalsContact CB-OE1 3.27Å; S169-E206 WeakPolarHBondContact CB-OE1 3.39Å; S169-E206 PolarHBondContact N-OE1 3.04Å; S169-E206 PolarHBondContact OG-OE1 2.98Å; E206-D208 PolarHBondContact O-N 2.84Å; E206-A209 WeakPolarHBondContact O-CB 3.39Å; E206-A209 PolarHBondContact O-N 3.33Å; E206-A209 VanDerWaalsContact O-N 3.12Å; E206-L210 PolarHBondContact O-N 3.06Å
207D96.9Very high97.4Very high119 Ų11956.2 Ų56.264%0.63630%0.297SS*.Hα-helixtrans-60.3-45.9-178.8-70.2-22.8000111.6N205 A209 L210N205-D207 PolarHBondContact OD1-N 3.12Å; D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 2.86Å; D207-L210 PolarHBondContact O-N 3.46Å
208D97.3Very high97.3Very high102 Ų10257.7 Ų57.755%0.54531%0.308SS..Hα-helixtrans-71.6-26.9177.6-72.1-33.7000112.3K203 N205 E206K203-D208 HydrophobicContact CB-CB 4Å; K203-D208 WeakPolarHBondContact CG-O 3.4Å; N205-D208 PolarHBondContact ND2-OD2 2.85Å; N205-D208 PolarHBondContact OD1-N 3.43Å; E206-D208 PolarHBondContact O-N 2.84Å
209A98.1Very high97.3Very high0 Ų059.1 Ų59.10%032%0.318CS..Hα-helixtrans-74.1-32.3177.700000112.1Y166 F199 D200 K203 N205 E206 D207 I211Y166-A209 HydrophobicContact CE2-CB 4.16Å; Y166-A209 VanDerWaalsContact OH-CB 3.23Å; Y166-A209 WeakPolarHBondContact OH-CB 3.46Å; F199-A209 CarbonylContact C-O 3.56Å; F199-A209 WeakPolarHBondContact CA-O 3.25Å; F199-A209 HydrophobicContact CD1-CB 4.26Å; D200-A209 PolarHBondContact N-O 2.69Å; D200-A209 WeakPolarHBondContact O-CA 3.5Å; D200-A209 VanDerWaalsContact O-CB 3.32Å; D200-A209 WeakPolarHBondContact O-CB 3.4Å; K203-A209 HydrophobicContact CB-CB 4.06Å; N205-A209 WeakPolarHBondContact O-CB 3.43Å; N205-A209 PolarHBondContact O-N 3.11Å; E206-A209 WeakPolarHBondContact O-CB 3.39Å; E206-A209 PolarHBondContact O-N 3.33Å; E206-A209 VanDerWaalsContact O-N 3.12Å; D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 2.86Å; A209-I211 PolarHBondContact O-N 3.35Å; A209-I211 VanDerWaalsContact O-N 3.15Å
210L98.5Very high97.3Very high60 Ų6059.1 Ų59.131%0.31432%0.318SS..EExtended strand (participates in β ladder)trans-68.2109.6-177.8-176.864.8000111.2N197 F199 E206 D207N197-L210 HydrophobicContact CB-CD1 3.89Å; F199-L210 HydrophobicContact CD1-CB 4.17Å; F199-L210 HydrophobicContact CD1-CD1 4.08Å; F199-L210 HydrophobicContact CE1-CB 4.08Å; F199-L210 HydrophobicContact CE1-CD1 3.61Å; F199-L210 HydrophobicContact CE1-CG 4.42Å; F199-L210 HydrophobicContact CZ-CD1 3.95Å; E206-L210 PolarHBondContact O-N 3.06Å; D207-L210 PolarHBondContact O-N 3.46Å
211I98Very high97.3Very high76 Ų7659.4 Ų59.439%0.3932%0.322SS..EExtended strand (participates in β ladder)trans-84.4-45.4178.8-56.2179.8000110.8L186 V198 D200 A209 L250L186-I211 HydrophobicContact CD2-CD1 3.59Å; V198-I211 HydrophobicContact CB-CB 4.45Å; V198-I211 HydrophobicContact CG1-CB 4.38Å; V198-I211 HydrophobicContact CG1-CD1 4.23Å; V198-I211 WeakPolarHBondContact O-CB 3.46Å; V198-I211 PolarHBondContact O-N 3.12Å; D200-I211 HydrophobicContact CB-CD1 3.89Å; D200-I211 HydrophobicContact CB-CG1 4.21Å; A209-I211 PolarHBondContact O-N 3.35Å; A209-I211 VanDerWaalsContact O-N 3.15Å; I211-L250 HydrophobicContact CG2-CD1 3.79Å
212S97.8Very high97.4Very high13 Ų1359.3 Ų59.39%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-159.4146.5-173.2-177.40000111.5N197 V198N197-S212 WeakPolarHBondContact CA-O 3.4Å; V198-S212 PolarHBondContact N-O 3.24Å; V198-S212 PolarHBondContact O-N 2.98Å
213T98.2Very high97.4Very high66 Ų6653.8 Ų53.841%0.40529%0.291SS..EExtended strand (participates in β ladder)trans-118.8116.2171.5-610000108.8L195 N197L195-T213 HydrophobicContact CB-CG2 4.22Å; L195-T213 HydrophobicContact CD1-CG2 4.09Å; L195-T213 HydrophobicContact CD2-CG2 3.96Å; L195-T213 HydrophobicContact CG-CG2 4.31Å; N197-T213 VanDerWaalsContact OD1-CB 3.29Å; N197-T213 WeakPolarHBondContact OD1-CB 3.3Å; N197-T213 VanDerWaalsContact OD1-CG2 3.23Å; N197-T213 WeakPolarHBondContact OD1-CG2 3.29Å; N197-T213 PolarHBondContact OD1-OG1 3.03Å
214C98.3Very high97.5Very high2 Ų249 Ų491%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-104.7129.4178.2-49.40000109.2V196 W245V196-C214 HydrophobicContact CB-CB 4.24Å; V196-C214 PolarHBondContact N-O 2.99Å; V196-C214 PolarHBondContact O-N 2.93Å; C214-W245 HydrophobicContact CB-CD2 3.73Å; C214-W245 HydrophobicContact CB-CE3 4.06Å; C214-W245 HydrophobicContact CB-CG 4.21Å; C214-W245 HydrophobicContact CB-CH2 3.97Å; C214-W245 HydrophobicContact CB-CZ2 3.71Å; C214-W245 HydrophobicContact CB-CZ3 4.17Å
215N98Very high97.8Very high84 Ų8441.8 Ų41.845%0.44923%0.232SC..EExtended strand (participates in β ladder)trans-96.4124.8179.7-178.612.6000110.4G194 L195 D217 W245G194-N215 PolarHBondContact O-OD1 3.32Å; L195-N215 HydrophobicContact CD2-CB 4.25Å; N215-D217 PolarHBondContact ND2-OD1 3.33Å; N215-D217 WeakPolarHBondContact OD1-CA 3.46Å; N215-D217 PolarHBondContact OD1-N 2.69Å; N215-W245 WeakPolarHBondContact O-CZ2 3.24Å
216S97.1Very high98Very high3 Ų338.6 Ų38.62%0.02122%0.215CC..  trans-97.2-0.1177.365.20000114G194 S218 V220 C235G194-S216 PolarHBondContact O-N 3.43Å; G194-S216 PolarHBondContact O-OG 3.25Å; S216-S218 PolarHBondContact O-N 2.77Å; S216-S218 PolarHBondContact OG-O 2.82Å; S216-V220 WeakPolarHBondContact OG-CG2 3.43Å; S216-C235 WeakPolarHBondContact CB-SG 3.3Å
217D96.1Very high97.9Very high113 Ų11337.7 Ų37.760%0.60421%0.212SC*.SBendtrans60-0.1-178.7-63.2-40.9000115.5N215 H260N215-D217 PolarHBondContact ND2-OD1 3.33Å; N215-D217 WeakPolarHBondContact OD1-CA 3.46Å; N215-D217 PolarHBondContact OD1-N 2.69Å; D217-H260 IonicContact OD2-CE1 3.84Å; D217-H260 PolarHBondContact OD2-CE1 3.34Å
218S98.3Very high97.8Very high31 Ų3139.1 Ų39.122%0.21721%0.212CC..SBendtrans-153167.4179.5-1690000111.7G194 S216 V220 D239G194-S218 WeakPolarHBondContact CA-O 3.22Å; S216-S218 PolarHBondContact O-N 2.77Å; S216-S218 PolarHBondContact OG-O 2.82Å; S218-V220 PolarHBondContact O-N 3.01Å; S218-D239 WeakPolarHBondContact CB-OD2 3.47Å; S218-D239 PolarHBondContact OG-OD1 2.91Å; S218-D239 PolarHBondContact OG-OD2 2.76Å
219S98.4Very high97.7Very high31 Ų3138.1 Ų38.122%0.21721%0.207CC..  trans-61.3121.4-175.2172.40000112.3T192 T237 H238T192-S219 WeakPolarHBondContact CA-OG 3.37Å; T192-S219 WeakPolarHBondContact CB-OG 3.14Å; T192-S219 WeakPolarHBondContact CG2-OG 3.38Å; S219-T237 CarbonylContact O-C 3.57Å; S219-T237 WeakPolarHBondContact O-CA 3.46Å; S219-T237 WeakPolarHBondContact O-CB 3.41Å; S219-H238 PolarHBondContact O-N 2.95Å; S219-H238 PolarHBondContact O-ND1 3.37Å; S219-H238 VanDerWaalsContact O-ND1 3.12Å; S219-H238 PolarHBondContact OG-ND1 2.97Å
220V98.8Very high97.6Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-74129.7-175.6179.90000111.2T175 S191 V196 S216 S218 I223 C235 H238T175-V220 WeakPolarHBondContact CB-O 3.15Å; T175-V220 WeakPolarHBondContact CG2-O 3.46Å; T175-V220 PolarHBondContact OG1-O 3.47Å; S191-V220 VanDerWaalsContact O-CB 3.3Å; S191-V220 WeakPolarHBondContact O-CB 3.3Å; S191-V220 WeakPolarHBondContact O-CG2 3.46Å; S191-V220 PolarHBondContact O-N 2.84Å; V196-V220 HydrophobicContact CG2-CG1 4.4Å; V196-V220 HydrophobicContact CG2-CG2 3.81Å; S216-V220 WeakPolarHBondContact OG-CG2 3.43Å; S218-V220 PolarHBondContact O-N 3.01Å; V220-I223 HydrophobicContact CG1-CG2 3.49Å; V220-I223 VanDerWaalsContact CG1-CG2 3.49Å; V220-C235 HydrophobicContact CG1-CB 4.1Å; V220-H238 PolarHBondContact O-CE1 3.28Å; V220-H238 PolarHBondContact O-ND1 3.05Å
221S98.2Very high97.5Very high40 Ų4041.2 Ų41.228%0.2822%0.217SC..EExtended strand (participates in β ladder)trans-109-28.5178.564.90000113.3M236 T237S221-M236 PolarHBondContact N-O 2.85Å; S221-M236 PolarHBondContact OG-O 3.06Å; S221-M236 VanDerWaalsContact OG-O 3.12Å; S221-T237 VanDerWaalsContact OG-C 3.23Å; S221-T237 PolarHBondContact OG-O 2.92Å; S221-T237 VanDerWaalsContact OG-O 3.07Å
222F98.6Very high97.5Very high32 Ų3239.3 Ų39.314%0.1421%0.207CC..EExtended strand (participates in β ladder)trans-149.7147.7-179.7-164.4-86.6000110.3Y234 C235 M236F222-Y234 HydrophobicContact CD1-CE2 4.15Å; F222-Y234 HydrophobicContact CE1-CE2 4.18Å; F222-C235 CarbonylContact O-C 3.57Å; F222-C235 WeakPolarHBondContact O-CA 3.37Å; F222-C235 VanDerWaalsContact O-CB 3.3Å; F222-C235 WeakPolarHBondContact O-CB 3.45Å; F222-M236 HydrophobicContact CB-CB 4.07Å; F222-M236 HydrophobicContact CB-CG 4.15Å; F222-M236 HydrophobicContact CB-SD 4.23Å; F222-M236 HydrophobicContact CD1-SD 4.36Å; F222-M236 HydrophobicContact CG-SD 4.47Å; F222-M236 PolarHBondContact N-O 2.87Å; F222-M236 PolarHBondContact O-N 2.91Å
223I98.7Very high97.6Very high3 Ų338.8 Ų38.82%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-137.7156.4173.170-166.5000109.9R176 C178 V188 V196 V220 Y234 C235R176-I223 HydrophobicContact CB-CD1 3.84Å; R176-I223 HydrophobicContact CB-CG1 3.91Å; R176-I223 HydrophobicContact CG-CD1 4.06Å; R176-I223 HydrophobicContact CG-CG1 3.7Å; R176-I223 WeakPolarHBondContact O-CD1 3.45Å; C178-I223 HydrophobicContact CB-CD1 4.26Å; C178-I223 HydrophobicContact CB-CG1 3.97Å; V188-I223 HydrophobicContact CB-CD1 4.39Å; V188-I223 HydrophobicContact CG1-CD1 3.76Å; V188-I223 HydrophobicContact CG1-CG1 4.02Å; V188-I223 HydrophobicContact CG2-CD1 4.22Å; V188-I223 VanDerWaalsContact O-CD1 3.29Å; V188-I223 WeakPolarHBondContact O-CD1 3.33Å; V196-I223 HydrophobicContact CG1-CG2 4.39Å; V196-I223 HydrophobicContact CG2-CG2 4.25Å; V220-I223 HydrophobicContact CG1-CG2 3.49Å; V220-I223 VanDerWaalsContact CG1-CG2 3.49Å; I223-Y234 VanDerWaalsContact CA-O 3.31Å; I223-Y234 WeakPolarHBondContact CA-O 3.46Å; I223-C235 HydrophobicContact CG2-CB 3.91Å
224G98.3Very high97.6Very high4 Ų436 Ų364%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-165.5167.6170.400000113.8V233 Y234G224-V233 WeakPolarHBondContact O-CA 3.29Å; G224-Y234 PolarHBondContact N-O 2.73Å; G224-Y234 WeakPolarHBondContact O-CD1 3.44Å; G224-Y234 WeakPolarHBondContact O-CE1 3.44Å; G224-Y234 PolarHBondContact O-N 2.79Å
225W98.6Very high97.6Very high11 Ų1135.9 Ų35.94%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-93.1147.6175.3-59.891.7000110.9C178 F179 H180 P181 L186 V188 V198 Y230 Q232 V233 L247C178-W225 PolarHBondContact O-NE1 3.13Å; F179-W225 PolarHBondContact O-NE1 2.98Å; H180-W225 HydrophobicContact CB-CD2 4.36Å; H180-W225 HydrophobicContact CB-CH2 4.46Å; H180-W225 HydrophobicContact CB-CZ2 3.95Å; H180-W225 AromaticContact CD2-CD2 3.81Å; H180-W225 AromaticContact CD2-CE3 3.55Å; H180-W225 AromaticContact CD2-CH2 3.84Å; H180-W225 AromaticContact CD2-CZ3 3.57Å; P181-W225 HydrophobicContact CG-CB 4.44Å; L186-W225 HydrophobicContact CB-CH2 4.24Å; L186-W225 HydrophobicContact CB-CZ2 4.38Å; V188-W225 HydrophobicContact CB-CH2 4.46Å; V188-W225 HydrophobicContact CB-CZ2 3.8Å; V188-W225 HydrophobicContact CG1-CZ2 3.94Å; V198-W225 HydrophobicContact CG1-CH2 3.71Å; V198-W225 HydrophobicContact CG1-CZ3 4.41Å; W225-Y230 HydrophobicContact CB-CD1 3.59Å; W225-Y230 HydrophobicContact CB-CE1 4.47Å; W225-Y230 HydrophobicContact CB-CG 4.25Å; W225-Y230 VanDerWaalsContact CE3-O 3.29Å; W225-Q232 CarbonylContact C-O 3.52Å; W225-Q232 WeakPolarHBondContact CA-O 3.2Å; W225-V233 HydrophobicContact CD2-CG1 4.08Å; W225-V233 HydrophobicContact CE3-CG1 3.48Å; W225-V233 VanDerWaalsContact CE3-CG1 3.48Å; W225-V233 HydrophobicContact CH2-CG1 4.18Å; W225-V233 HydrophobicContact CZ3-CG1 3.54Å; W225-L247 HydrophobicContact CZ3-CD1 3.81Å
226S98.1Very high97.6Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-152.6175.6-179.863.30000112.8Y230 K231 Q232 W244S226-Y230 CarbonylContact O-C 3.49Å; S226-Y230 VanDerWaalsContact O-CA 3.28Å; S226-Y230 WeakPolarHBondContact O-CA 3.47Å; S226-K231 PolarHBondContact O-N 2.98Å; S226-Q232 PolarHBondContact N-O 2.78Å; S226-Q232 WeakPolarHBondContact O-CB 3.35Å; S226-Q232 PolarHBondContact O-N 2.88Å; S226-Q232 WeakPolarHBondContact OG-CB 3.3Å; S226-W244 PolarHBondContact OG-NE1 3.03Å
227G96.4Very high97.7Very high2 Ų231.9 Ų31.92%0.02116%0.163CC..SBendtrans76.5169179.400000112.9D229 Y230 Q232 Y283G227-D229 PolarHBondContact O-N 3.29Å; G227-Y230 WeakPolarHBondContact O-CA 3.13Å; G227-Y230 PolarHBondContact O-N 3.1Å; G227-Q232 VanDerWaalsContact CA-OE1 3.27Å; G227-Y283 VanDerWaalsContact N-CD2 3.34Å; G227-Y283 VanDerWaalsContact O-CE1 3.23Å; G227-Y283 WeakPolarHBondContact O-CE1 3.28Å; G227-Y283 VanDerWaalsContact O-CZ 3.32Å; G227-Y283 PolarHBondContact O-OH 2.89Å
228K94.3Very high97.8Very high148 Ų14831.6 Ų31.664%0.64316%0.157SC*.G310 helixtrans-56.5132.6177.9-171.3174.3-179.8178.80111.1Y230 K231 Y283K228-Y230 PolarHBondContact O-N 2.93Å; K228-Y230 VanDerWaalsContact O-N 3.12Å; K228-K231 PolarHBondContact O-N 3.3Å; K228-Y283 PolarHBondContact N-OH 3.03Å
229D94.3Very high97.8Very high82 Ų8233.7 Ų33.744%0.43917%0.166SC..G310 helixtrans56.519.5-174.4-49-41.8000114.3G227 K231G227-D229 PolarHBondContact O-N 3.29Å; D229-K231 VanDerWaalsContact C-N 3.33Å; D229-K231 HydrophobicContact CB-CG 4.3Å; D229-K231 PolarHBondContact O-N 3.46Å
230Y97.2Very high97.8Very high28 Ų2833.6 Ų33.611%0.1116%0.162CC..G310 helixtrans58.738.9179.8-65.1-82.1000113.8H180 P181 I182 W225 S226 G227 K228 Q232 Y283 E285H180-Y230 WeakPolarHBondContact NE2-CB 3.42Å; H180-Y230 PolarHBondContact NE2-O 3.31Å; P181-Y230 HydrophobicContact CB-CD1 4.5Å; P181-Y230 HydrophobicContact CB-CD2 4.16Å; P181-Y230 HydrophobicContact CB-CE1 4.18Å; P181-Y230 HydrophobicContact CB-CE2 3.84Å; P181-Y230 HydrophobicContact CB-CG 4.45Å; P181-Y230 HydrophobicContact CG-CD1 3.74Å; P181-Y230 HydrophobicContact CG-CD2 4.23Å; P181-Y230 HydrophobicContact CG-CE1 3.59Å; P181-Y230 HydrophobicContact CG-CE2 4.12Å; P181-Y230 HydrophobicContact CG-CG 4.03Å; I182-Y230 HydrophobicContact CD1-CD2 4.19Å; I182-Y230 HydrophobicContact CG1-CD2 4.14Å; I182-Y230 HydrophobicContact CG2-CD2 4.46Å; I182-Y230 HydrophobicContact CG2-CE2 4.36Å; W225-Y230 HydrophobicContact CB-CD1 3.59Å; W225-Y230 HydrophobicContact CB-CE1 4.47Å; W225-Y230 HydrophobicContact CB-CG 4.25Å; W225-Y230 VanDerWaalsContact CE3-O 3.29Å; S226-Y230 CarbonylContact O-C 3.49Å; S226-Y230 VanDerWaalsContact O-CA 3.28Å; S226-Y230 WeakPolarHBondContact O-CA 3.47Å; G227-Y230 WeakPolarHBondContact O-CA 3.13Å; G227-Y230 PolarHBondContact O-N 3.1Å; K228-Y230 PolarHBondContact O-N 2.93Å; K228-Y230 VanDerWaalsContact O-N 3.12Å; Y230-Q232 VanDerWaalsContact C-N 3.31Å; Y230-Y283 HydrophobicContact CD1-CD1 4.16Å; Y230-Y283 AromaticContact CE1-CD1 3.61Å; Y230-Y283 HydrophobicContact CE1-CD1 3.61Å; Y230-Y283 HydrophobicContact CE1-CE1 4.33Å; Y230-E285 VanDerWaalsContact CE2-OE1 3.26Å; Y230-E285 WeakPolarHBondContact CE2-OE1 3.44Å; Y230-E285 VanDerWaalsContact CZ-OE1 3.25Å; Y230-E285 WeakPolarHBondContact OH-CG 3.35Å; Y230-E285 PolarHBondContact OH-OE1 2.85Å
231K96.4Very high97.8Very high96 Ų9633.7 Ų33.742%0.41716%0.164SC..  trans-83-3.2-178.9-66.8-178.1-179.4-179.50114.8S226 K228 D229 L247S226-K231 PolarHBondContact O-N 2.98Å; K228-K231 PolarHBondContact O-N 3.3Å; D229-K231 VanDerWaalsContact C-N 3.33Å; D229-K231 HydrophobicContact CB-CG 4.3Å; D229-K231 PolarHBondContact O-N 3.46Å; K231-L247 WeakPolarHBondContact O-CB 3.3Å; K231-L247 PolarHBondContact O-N 2.97Å
232Q98.3Very high97.8Very high37 Ų3731.8 Ų31.817%0.17315%0.15CC..EExtended strand (participates in β ladder)trans-114.1149.4179.1-62.4162-9.700109.6W225 S226 G227 Y230 W245 D246 L258W225-Q232 CarbonylContact C-O 3.52Å; W225-Q232 WeakPolarHBondContact CA-O 3.2Å; S226-Q232 PolarHBondContact N-O 2.78Å; S226-Q232 WeakPolarHBondContact O-CB 3.35Å; S226-Q232 PolarHBondContact O-N 2.88Å; S226-Q232 WeakPolarHBondContact OG-CB 3.3Å; G227-Q232 VanDerWaalsContact CA-OE1 3.27Å; Y230-Q232 VanDerWaalsContact C-N 3.31Å; Q232-W245 CarbonylContact C-O 3.51Å; Q232-W245 WeakPolarHBondContact CA-O 3.47Å; Q232-W245 VanDerWaalsContact CB-O 3.25Å; Q232-W245 WeakPolarHBondContact CB-O 3.23Å; Q232-D246 HydrophobicContact CG-CB 4.17Å; Q232-L258 HydrophobicContact CG-CD1 4.08Å
233V98.6Very high97.8Very high1 Ų130.4 Ų30.41%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-122.1145.8173.7-69.10000108.9V188 V198 G224 W225 W245 L247V188-V233 HydrophobicContact CG2-CG1 4.48Å; V198-V233 HydrophobicContact CG2-CG1 4.27Å; V198-V233 HydrophobicContact CG2-CG2 4.45Å; G224-V233 WeakPolarHBondContact O-CA 3.29Å; W225-V233 HydrophobicContact CD2-CG1 4.08Å; W225-V233 HydrophobicContact CE3-CG1 3.48Å; W225-V233 VanDerWaalsContact CE3-CG1 3.48Å; W225-V233 HydrophobicContact CH2-CG1 4.18Å; W225-V233 HydrophobicContact CZ3-CG1 3.54Å; V233-W245 HydrophobicContact CG2-CB 4.16Å; V233-W245 HydrophobicContact CG2-CE3 4.07Å; V233-W245 PolarHBondContact N-O 3.23Å; V233-W245 PolarHBondContact O-N 3.19Å; V233-L247 HydrophobicContact CG1-CD1 3.82Å; V233-L247 HydrophobicContact CG1-CG 4.43Å; V233-L247 HydrophobicContact CG2-CD1 4.34Å; V233-L247 HydrophobicContact CG2-CD2 3.9Å; V233-L247 HydrophobicContact CG2-CG 4.14Å
234Y98.8Very high97.8Very high7 Ų731.2 Ų31.23%0.02715%0.147CC..EExtended strand (participates in β ladder)trans-135.5157.6173.767.5-87.5000109.9F222 I223 G224 F242 C243 G281 L282 L290F222-Y234 HydrophobicContact CD1-CE2 4.15Å; F222-Y234 HydrophobicContact CE1-CE2 4.18Å; I223-Y234 VanDerWaalsContact CA-O 3.31Å; I223-Y234 WeakPolarHBondContact CA-O 3.46Å; G224-Y234 PolarHBondContact N-O 2.73Å; G224-Y234 WeakPolarHBondContact O-CD1 3.44Å; G224-Y234 WeakPolarHBondContact O-CE1 3.44Å; G224-Y234 PolarHBondContact O-N 2.79Å; Y234-F242 AromaticContact CD2-CE2 3.9Å; Y234-F242 HydrophobicContact CD2-CE2 3.9Å; Y234-F242 HydrophobicContact CG-CE2 4.13Å; Y234-C243 CarbonylContact C-O 3.56Å; Y234-C243 WeakPolarHBondContact CA-O 3.48Å; Y234-C243 VanDerWaalsContact CB-O 3.29Å; Y234-C243 WeakPolarHBondContact CB-O 3.48Å; Y234-G281 WeakPolarHBondContact OH-CA 3.16Å; Y234-G281 PolarHBondContact OH-O 2.88Å; Y234-L282 PolarHBondContact OH-N 3.32Å; Y234-L290 HydrophobicContact CD1-CD1 3.66Å; Y234-L290 HydrophobicContact CD1-CD2 3.79Å; Y234-L290 HydrophobicContact CD1-CG 4.41Å; Y234-L290 HydrophobicContact CE1-CD1 3.42Å; Y234-L290 VanDerWaalsContact CE1-CD1 3.42Å; Y234-L290 HydrophobicContact CE1-CD2 4.43Å; Y234-L290 HydrophobicContact CE2-CD1 4.31Å; Y234-L290 HydrophobicContact CG-CD1 4.21Å; Y234-L290 HydrophobicContact CG-CD2 3.88Å
235C98.8Very high97.8Very high0 Ų031.4 Ų31.40%015%0.147CC..EExtended strand (participates in β ladder)trans-137.4164.6170.380.90000111.9V196 S216 V220 F222 I223 F242 C243 W245V196-C235 HydrophobicContact CG2-CB 3.79Å; S216-C235 WeakPolarHBondContact CB-SG 3.3Å; V220-C235 HydrophobicContact CG1-CB 4.1Å; F222-C235 CarbonylContact O-C 3.57Å; F222-C235 WeakPolarHBondContact O-CA 3.37Å; F222-C235 VanDerWaalsContact O-CB 3.3Å; F222-C235 WeakPolarHBondContact O-CB 3.45Å; I223-C235 HydrophobicContact CG2-CB 3.91Å; C235-F242 WeakPolarHBondContact O-CA 3.45Å; C235-F242 VanDerWaalsContact O-CD2 3.31Å; C235-F242 WeakPolarHBondContact O-CD2 3.39Å; C235-C243 PolarHBondContact N-O 3.28Å; C235-C243 PolarHBondContact O-N 3.42Å; C235-W245 HydrophobicContact CB-CH2 4.37Å; C235-W245 HydrophobicContact CB-CZ3 4.1Å; C235-W245 WeakPolarHBondContact SG-CH2 3.24Å
236M98.7Very high97.8Very high1 Ų131.8 Ų31.81%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-125.3151.2169.9-44.517983.300106.9S221 F222 G241 F242 L278 G280 L292S221-M236 PolarHBondContact N-O 2.85Å; S221-M236 PolarHBondContact OG-O 3.06Å; S221-M236 VanDerWaalsContact OG-O 3.12Å; F222-M236 HydrophobicContact CB-CB 4.07Å; F222-M236 HydrophobicContact CB-CG 4.15Å; F222-M236 HydrophobicContact CB-SD 4.23Å; F222-M236 HydrophobicContact CD1-SD 4.36Å; F222-M236 HydrophobicContact CG-SD 4.47Å; F222-M236 PolarHBondContact N-O 2.87Å; F222-M236 PolarHBondContact O-N 2.91Å; M236-G241 VanDerWaalsContact CA-O 3.29Å; M236-G241 WeakPolarHBondContact CA-O 3.29Å; M236-F242 HydrophobicContact CG-CD2 4.38Å; M236-L278 HydrophobicContact CE-CB 3.35Å; M236-L278 HydrophobicContact CE-CD1 3.28Å; M236-L278 HydrophobicContact CE-CD2 3.7Å; M236-L278 HydrophobicContact CE-CG 3.57Å; M236-L278 HydrophobicContact SD-CB 4.41Å; M236-G280 WeakPolarHBondContact SD-CA 3.19Å; M236-L292 HydrophobicContact CE-CB 4.16Å; M236-L292 HydrophobicContact CE-CD1 4.14Å; M236-L292 HydrophobicContact CE-CD2 3.95Å; M236-L292 HydrophobicContact CE-CG 4.29Å; M236-L292 HydrophobicContact SD-CD2 4.33Å
237T98.7Very high97.7Very high3 Ų333 Ų332%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-112.4164.3-176.357.20000110.8S219 S221 D239 E240 G241S219-T237 CarbonylContact O-C 3.57Å; S219-T237 WeakPolarHBondContact O-CA 3.46Å; S219-T237 WeakPolarHBondContact O-CB 3.41Å; S221-T237 VanDerWaalsContact OG-C 3.23Å; S221-T237 PolarHBondContact OG-O 2.92Å; S221-T237 VanDerWaalsContact OG-O 3.07Å; T237-D239 WeakPolarHBondContact CB-OD1 3.26Å; T237-D239 PolarHBondContact O-N 3.47Å; T237-D239 PolarHBondContact OG1-OD1 2.92Å; T237-E240 PolarHBondContact O-N 2.86Å; T237-E240 VanDerWaalsContact O-N 3.14Å; T237-G241 PolarHBondContact N-O 2.86Å; T237-G241 VanDerWaalsContact N-O 3.12Å; T237-G241 WeakPolarHBondContact OG1-CA 3.38Å; T237-G241 PolarHBondContact OG1-N 2.77Å
238H98.3Very high97.5Very high106 Ų10635.3 Ų35.349%0.49118%0.175SC..THydrogen-bonded Turntrans-68.2-17.7179.6-75.196.1000113.4S219 V220S219-H238 PolarHBondContact O-N 2.95Å; S219-H238 PolarHBondContact O-ND1 3.37Å; S219-H238 VanDerWaalsContact O-ND1 3.12Å; S219-H238 PolarHBondContact OG-ND1 2.97Å; V220-H238 PolarHBondContact O-CE1 3.28Å; V220-H238 PolarHBondContact O-ND1 3.05Å
239D97.6Very high97.5Very high76 Ų7630.8 Ų30.841%0.40616%0.156SC..THydrogen-bonded Turntrans-96.517.3173.257.6-0.1000113.2S218 T237 G241S218-D239 WeakPolarHBondContact CB-OD2 3.47Å; S218-D239 PolarHBondContact OG-OD1 2.91Å; S218-D239 PolarHBondContact OG-OD2 2.76Å; T237-D239 WeakPolarHBondContact CB-OD1 3.26Å; T237-D239 PolarHBondContact O-N 3.47Å; T237-D239 PolarHBondContact OG1-OD1 2.92Å; D239-G241 VanDerWaalsContact C-N 3.33Å
240E98.2Very high97.5Very high28 Ų2829.9 Ų29.913%0.13115%0.151CC..SBendtrans70.324.4173.8-45.8-64.2178.300114.7T237 V264 R265 Y277 L278T237-E240 PolarHBondContact O-N 2.86Å; T237-E240 VanDerWaalsContact O-N 3.14Å; E240-V264 WeakPolarHBondContact O-CB 3.21Å; E240-V264 WeakPolarHBondContact O-CG2 3.5Å; E240-V264 PolarHBondContact O-N 3.2Å; E240-R265 HydrophobicContact CB-CG 4.23Å; E240-R265 HydrophobicContact CG-CG 4.5Å; E240-Y277 WeakPolarHBondContact OE1-CA 3.45Å; E240-Y277 VanDerWaalsContact OE1-CB 3.27Å; E240-Y277 WeakPolarHBondContact OE1-CB 3.37Å; E240-L278 HydrophobicContact CB-CD1 4.21Å; E240-L278 WeakPolarHBondContact OE2-CB 3.47Å; E240-L278 VanDerWaalsContact OE2-CG 3.22Å; E240-L278 WeakPolarHBondContact OE2-CG 3.23Å; E240-L278 PolarHBondContact OE2-N 2.84Å
241G98.4Very high97.3Very high3 Ų336.5 Ų36.53%0.03119%0.188CC..  trans-79165.5167.800000113.1M236 T237 D239 V261 L262M236-G241 VanDerWaalsContact CA-O 3.29Å; M236-G241 WeakPolarHBondContact CA-O 3.29Å; T237-G241 PolarHBondContact N-O 2.86Å; T237-G241 VanDerWaalsContact N-O 3.12Å; T237-G241 WeakPolarHBondContact OG1-CA 3.38Å; T237-G241 PolarHBondContact OG1-N 2.77Å; D239-G241 VanDerWaalsContact C-N 3.33Å; G241-V261 CarbonylContact C-O 3.49Å; G241-V261 VanDerWaalsContact CA-O 3.22Å; G241-V261 WeakPolarHBondContact CA-O 3.49Å; G241-L262 VanDerWaalsContact CA-O 3.23Å; G241-L262 WeakPolarHBondContact CA-O 3.27Å
242F98.7Very high97.2Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-142.4130.2179.7172.6-103.9000111Y234 C235 M236 W244 L259 H260 V261 V264 L290 L292 C306 L311Y234-F242 AromaticContact CD2-CE2 3.9Å; Y234-F242 HydrophobicContact CD2-CE2 3.9Å; Y234-F242 HydrophobicContact CG-CE2 4.13Å; C235-F242 WeakPolarHBondContact O-CA 3.45Å; C235-F242 VanDerWaalsContact O-CD2 3.31Å; C235-F242 WeakPolarHBondContact O-CD2 3.39Å; M236-F242 HydrophobicContact CG-CD2 4.38Å; F242-W244 HydrophobicContact CE1-CB 3.83Å; F242-W244 HydrophobicContact CZ-CB 3.75Å; F242-W244 HydrophobicContact CZ-CG 4.23Å; F242-L259 HydrophobicContact CD1-CD2 4.18Å; F242-L259 HydrophobicContact CE1-CB 4.46Å; F242-L259 HydrophobicContact CE1-CD2 4Å; F242-H260 WeakPolarHBondContact O-CA 3.23Å; F242-V261 HydrophobicContact CB-CB 4.42Å; F242-V261 PolarHBondContact N-O 2.92Å; F242-V261 PolarHBondContact O-N 3.34Å; F242-V264 HydrophobicContact CB-CG2 3.57Å; F242-L290 HydrophobicContact CE2-CD2 4.23Å; F242-L290 HydrophobicContact CZ-CD2 3.74Å; F242-L292 HydrophobicContact CB-CD1 4.38Å; F242-L292 HydrophobicContact CD1-CD1 4.42Å; F242-L292 HydrophobicContact CD2-CD1 3.78Å; F242-L292 HydrophobicContact CD2-CD2 3.78Å; F242-L292 HydrophobicContact CD2-CG 4.41Å; F242-L292 HydrophobicContact CE2-CD1 4.15Å; F242-L292 HydrophobicContact CE2-CD2 3.54Å; F242-L292 HydrophobicContact CE2-CG 4.38Å; F242-L292 HydrophobicContact CG-CD1 3.93Å; F242-L292 HydrophobicContact CZ-CD2 4.29Å; F242-C306 HydrophobicContact CE1-CB 4.48Å; F242-C306 HydrophobicContact CZ-CB 4.42Å; F242-L311 HydrophobicContact CD1-CD2 4.22Å; F242-L311 HydrophobicContact CE1-CD2 4.28Å
243C98.6Very high96.9Very high2 Ų242.3 Ų42.31%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-127.8144.3174.6-62.90000110.8Y234 C235 W245 L259 H260Y234-C243 CarbonylContact C-O 3.56Å; Y234-C243 WeakPolarHBondContact CA-O 3.48Å; Y234-C243 VanDerWaalsContact CB-O 3.29Å; Y234-C243 WeakPolarHBondContact CB-O 3.48Å; C235-C243 PolarHBondContact N-O 3.28Å; C235-C243 PolarHBondContact O-N 3.42Å; C243-W245 HydrophobicContact CB-CD2 4.44Å; C243-W245 HydrophobicContact CB-CE3 4.28Å; C243-W245 HydrophobicContact CB-CH2 3.16Å; C243-W245 HydrophobicContact CB-CZ2 3.26Å; C243-W245 HydrophobicContact CB-CZ3 3.69Å; C243-L259 CarbonylContact C-O 3.59Å; C243-L259 WeakPolarHBondContact CA-O 3.47Å; C243-H260 PolarHBondContact SG-CD2 3.28Å
244W98.7Very high96.6Very high21 Ų2148.5 Ų48.58%0.0825%0.25CC..EExtended strand (participates in β ladder)trans-141.3132-178.7-172.427.4000110.3S226 F242 L258 L259 L290 C306 L308S226-W244 PolarHBondContact OG-NE1 3.03Å; F242-W244 HydrophobicContact CE1-CB 3.83Å; F242-W244 HydrophobicContact CZ-CB 3.75Å; F242-W244 HydrophobicContact CZ-CG 4.23Å; W244-L258 HydrophobicContact CB-CB 4.31Å; W244-L258 HydrophobicContact CD2-CB 3.85Å; W244-L258 HydrophobicContact CD2-CD1 3.56Å; W244-L258 HydrophobicContact CD2-CG 4.37Å; W244-L258 VanDerWaalsContact CE2-CD1 3.46Å; W244-L258 HydrophobicContact CE3-CB 3.74Å; W244-L258 HydrophobicContact CE3-CD1 3.98Å; W244-L258 HydrophobicContact CG-CB 4.1Å; W244-L258 HydrophobicContact CG-CD1 4Å; W244-L258 HydrophobicContact CH2-CD1 4.22Å; W244-L258 HydrophobicContact CZ2-CD1 3.83Å; W244-L258 HydrophobicContact CZ3-CB 4.39Å; W244-L258 HydrophobicContact CZ3-CD1 4.28Å; W244-L258 PolarHBondContact O-N 3.19Å; W244-L259 HydrophobicContact CB-CB 4.34Å; W244-L259 HydrophobicContact CE3-CB 4.25Å; W244-L259 PolarHBondContact N-O 2.88Å; W244-L259 PolarHBondContact O-N 2.73Å; W244-L290 HydrophobicContact CD2-CD2 4.1Å; W244-L290 HydrophobicContact CG-CD2 4.17Å; W244-L290 HydrophobicContact CZ2-CB 4.49Å; W244-L290 HydrophobicContact CZ2-CD2 4.38Å; W244-C306 HydrophobicContact CZ3-CB 4.44Å; W244-L308 HydrophobicContact CZ3-CD2 4.02Å
245W98.6Very high96.3Very high7 Ų752.7 Ų52.73%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-133.9146.2-175.2-53.2-92.3000112V196 C214 N215 Q232 V233 C235 C243 I256 T257V196-W245 HydrophobicContact CG2-CH2 4.21Å; V196-W245 HydrophobicContact CG2-CZ3 4.32Å; C214-W245 HydrophobicContact CB-CD2 3.73Å; C214-W245 HydrophobicContact CB-CE3 4.06Å; C214-W245 HydrophobicContact CB-CG 4.21Å; C214-W245 HydrophobicContact CB-CH2 3.97Å; C214-W245 HydrophobicContact CB-CZ2 3.71Å; C214-W245 HydrophobicContact CB-CZ3 4.17Å; N215-W245 WeakPolarHBondContact O-CZ2 3.24Å; Q232-W245 CarbonylContact C-O 3.51Å; Q232-W245 WeakPolarHBondContact CA-O 3.47Å; Q232-W245 VanDerWaalsContact CB-O 3.25Å; Q232-W245 WeakPolarHBondContact CB-O 3.23Å; V233-W245 HydrophobicContact CG2-CB 4.16Å; V233-W245 HydrophobicContact CG2-CE3 4.07Å; V233-W245 PolarHBondContact N-O 3.23Å; V233-W245 PolarHBondContact O-N 3.19Å; C235-W245 HydrophobicContact CB-CH2 4.37Å; C235-W245 HydrophobicContact CB-CZ3 4.1Å; C235-W245 WeakPolarHBondContact SG-CH2 3.24Å; C243-W245 HydrophobicContact CB-CD2 4.44Å; C243-W245 HydrophobicContact CB-CE3 4.28Å; C243-W245 HydrophobicContact CB-CH2 3.16Å; C243-W245 HydrophobicContact CB-CZ2 3.26Å; C243-W245 HydrophobicContact CB-CZ3 3.69Å; W245-I256 CarbonylContact C-O 3.55Å; W245-I256 WeakPolarHBondContact CA-O 3.26Å; W245-I256 HydrophobicContact CB-CD1 4.48Å; W245-I256 HydrophobicContact CG-CD1 4.47Å; W245-T257 PolarHBondContact NE1-OG1 3.19Å
246D97.6Very high96.2Very high20 Ų2054.5 Ų54.511%0.10729%0.287CS..EExtended strand (participates in β ladder)trans-103.6107.8173.4-173.510.1000111Q232 A248 Q249 I256 L258Q232-D246 HydrophobicContact CG-CB 4.17Å; D246-A248 PolarHBondContact O-N 3.16Å; D246-A248 VanDerWaalsContact OD1-CB 3.24Å; D246-A248 WeakPolarHBondContact OD1-CB 3.47Å; D246-A248 PolarHBondContact OD1-N 3.29Å; D246-Q249 HydrophobicContact CB-CG 4.07Å; D246-Q249 PolarHBondContact O-N 3.24Å; D246-Q249 PolarHBondContact OD2-NE2 3.45Å; D246-I256 PolarHBondContact N-O 3.11Å; D246-L258 HydrophobicContact CB-CD1 3.97Å; D246-L258 HydrophobicContact CB-CD2 3.9Å; D246-L258 HydrophobicContact CB-CG 3.93Å
247L96.4Very high96.1Very high25 Ų2557.8 Ų57.813%0.13131%0.307CS..G310 helixtrans-72.6-13.1179.3-53.8176.1000112.1V198 W225 K231 V233 Q249 L250V198-L247 HydrophobicContact CG1-CD1 4.09Å; V198-L247 HydrophobicContact CG2-CD1 4.16Å; V198-L247 HydrophobicContact CG2-CD2 4.27Å; W225-L247 HydrophobicContact CZ3-CD1 3.81Å; K231-L247 WeakPolarHBondContact O-CB 3.3Å; K231-L247 PolarHBondContact O-N 2.97Å; V233-L247 HydrophobicContact CG1-CD1 3.82Å; V233-L247 HydrophobicContact CG1-CG 4.43Å; V233-L247 HydrophobicContact CG2-CD1 4.34Å; V233-L247 HydrophobicContact CG2-CD2 3.9Å; V233-L247 HydrophobicContact CG2-CG 4.14Å; L247-Q249 PolarHBondContact O-N 3Å; L247-L250 HydrophobicContact CB-CD1 4.04Å; L247-L250 HydrophobicContact CB-CG 4.47Å; L247-L250 HydrophobicContact CD2-CD1 4.24Å; L247-L250 WeakPolarHBondContact O-CD1 3.14Å; L247-L250 VanDerWaalsContact O-CG 3.3Å; L247-L250 WeakPolarHBondContact O-CG 3.31Å; L247-L250 PolarHBondContact O-N 2.72Å
248A93.7Very high96.1Very high50 Ų5059.7 Ų59.741%0.41332%0.317SS..G310 helixtrans-67-17.6173.900000112.6D246D246-A248 PolarHBondContact O-N 3.16Å; D246-A248 VanDerWaalsContact OD1-CB 3.24Å; D246-A248 WeakPolarHBondContact OD1-CB 3.47Å; D246-A248 PolarHBondContact OD1-N 3.29Å
249Q94.3Very high96Very high53 Ų5355.8 Ų55.825%0.24830%0.3CS..G310 helixtrans-90.6-1.2-179.8-50.3-52.7-31.300113.5D246 L247 D251 T252 I256D246-Q249 HydrophobicContact CB-CG 4.07Å; D246-Q249 PolarHBondContact O-N 3.24Å; D246-Q249 PolarHBondContact OD2-NE2 3.45Å; L247-Q249 PolarHBondContact O-N 3Å; Q249-D251 PolarHBondContact O-N 3.33Å; Q249-T252 WeakPolarHBondContact CA-OG1 3.35Å; Q249-T252 WeakPolarHBondContact CB-OG1 3.41Å; Q249-T252 PolarHBondContact O-N 3.16Å; Q249-T252 PolarHBondContact O-OG1 3.45Å; Q249-T252 PolarHBondContact OE1-OG1 2.9Å; Q249-I256 HydrophobicContact CB-CG2 4.02Å
250L93.1Very high96Very high63 Ų6355.9 Ų55.933%0.3330%0.298SS..THydrogen-bonded Turntrans-56.1-36.3-176.5-74170.8000113.6I211 L247 T252 I256I211-L250 HydrophobicContact CG2-CD1 3.79Å; L247-L250 HydrophobicContact CB-CD1 4.04Å; L247-L250 HydrophobicContact CB-CG 4.47Å; L247-L250 HydrophobicContact CD2-CD1 4.24Å; L247-L250 WeakPolarHBondContact O-CD1 3.14Å; L247-L250 VanDerWaalsContact O-CG 3.3Å; L247-L250 WeakPolarHBondContact O-CG 3.31Å; L247-L250 PolarHBondContact O-N 2.72Å; L250-T252 VanDerWaalsContact C-N 3.33Å; L250-I256 HydrophobicContact CD2-CG2 4.1Å
251D92.3Very high96Very high167 Ų16755.4 Ų55.489%0.89330%0.297SS*.THydrogen-bonded Turntrans-95.516.7179.3-61.4-46.6000112.8Q249Q249-D251 PolarHBondContact O-N 3.33Å
252T94.2Very high96Very high62 Ų6261.7 Ų61.738%0.3833%0.329SS..SBendtrans-121.4168.8-176.579.20000111.3Q249 L250 E254Q249-T252 WeakPolarHBondContact CA-OG1 3.35Å; Q249-T252 WeakPolarHBondContact CB-OG1 3.41Å; Q249-T252 PolarHBondContact O-N 3.16Å; Q249-T252 PolarHBondContact O-OG1 3.45Å; Q249-T252 PolarHBondContact OE1-OG1 2.9Å; L250-T252 VanDerWaalsContact C-N 3.33Å; T252-E254 VanDerWaalsContact C-N 3.28Å; T252-E254 PolarHBondContact OG1-N 2.95Å
253E92.4Very high95.9Very high194 Ų19463 Ų6391%0.90734%0.336SS*.SBendtrans-83-5.6174.3-61.3-68157.900112.8
254E91.9Very high95.9Very high131 Ų13163 Ų6361%0.61234%0.336SS*.SBendtrans-79.8145.9-179-64.4-62.5152.100111T252 I256T252-E254 VanDerWaalsContact C-N 3.28Å; T252-E254 PolarHBondContact OG1-N 2.95Å; E254-I256 PolarHBondContact O-N 2.85Å
255P92.9Very high95.8Very high95 Ų9566.7 Ų66.762%0.61735%0.35SS*.  trans-64132.4176.927.1-33.6000110.6T257P255-T257 PolarHBondContact O-N 3Å
256I96.6Very high95.7Very high38 Ų3874.5 Ų74.520%0.19539%0.386CS..SBendtrans-66.6-25.3175.661.4160.8000112.2W245 D246 Q249 L250 E254 L258W245-I256 CarbonylContact C-O 3.55Å; W245-I256 WeakPolarHBondContact CA-O 3.26Å; W245-I256 HydrophobicContact CB-CD1 4.48Å; W245-I256 HydrophobicContact CG-CD1 4.47Å; D246-I256 PolarHBondContact N-O 3.11Å; Q249-I256 HydrophobicContact CB-CG2 4.02Å; L250-I256 HydrophobicContact CD2-CG2 4.1Å; E254-I256 PolarHBondContact O-N 2.85Å; I256-L258 PolarHBondContact O-N 3.47Å
257T97.3Very high95.6Very high69 Ų6976.1 Ų76.142%0.42340%0.402SS..EExtended strand (participates in β ladder)trans-73.1118.8-176.3-58.10000111.1W245 P255 H260W245-T257 PolarHBondContact NE1-OG1 3.19Å; P255-T257 PolarHBondContact O-N 3Å; T257-H260 HydrophobicContact CG2-CB 4.37Å
258L97.4Very high95.5Very high43 Ų4375.3 Ų75.323%0.22540%0.398CS..EExtended strand (participates in β ladder)trans-87-42.6175.2-64179000112.1Q232 W244 D246 I256 L308Q232-L258 HydrophobicContact CG-CD1 4.08Å; W244-L258 HydrophobicContact CB-CB 4.31Å; W244-L258 HydrophobicContact CD2-CB 3.85Å; W244-L258 HydrophobicContact CD2-CD1 3.56Å; W244-L258 HydrophobicContact CD2-CG 4.37Å; W244-L258 VanDerWaalsContact CE2-CD1 3.46Å; W244-L258 HydrophobicContact CE3-CB 3.74Å; W244-L258 HydrophobicContact CE3-CD1 3.98Å; W244-L258 HydrophobicContact CG-CB 4.1Å; W244-L258 HydrophobicContact CG-CD1 4Å; W244-L258 HydrophobicContact CH2-CD1 4.22Å; W244-L258 HydrophobicContact CZ2-CD1 3.83Å; W244-L258 HydrophobicContact CZ3-CB 4.39Å; W244-L258 HydrophobicContact CZ3-CD1 4.28Å; W244-L258 PolarHBondContact O-N 3.19Å; D246-L258 HydrophobicContact CB-CD1 3.97Å; D246-L258 HydrophobicContact CB-CD2 3.9Å; D246-L258 HydrophobicContact CB-CG 3.93Å; I256-L258 PolarHBondContact O-N 3.47Å; L258-L308 HydrophobicContact CB-CD2 3.98Å; L258-L308 HydrophobicContact CD2-CD2 3.94Å; L258-L308 HydrophobicContact CG-CD2 4.4Å
259L97.8Very high95.4Very high24 Ų2478.1 Ų78.113%0.12641%0.414CS..EExtended strand (participates in β ladder)trans-155.6139.5-179.9-170.964.5000110.5F242 C243 W244 V261 L311F242-L259 HydrophobicContact CD1-CD2 4.18Å; F242-L259 HydrophobicContact CE1-CB 4.46Å; F242-L259 HydrophobicContact CE1-CD2 4Å; C243-L259 CarbonylContact C-O 3.59Å; C243-L259 WeakPolarHBondContact CA-O 3.47Å; W244-L259 HydrophobicContact CB-CB 4.34Å; W244-L259 HydrophobicContact CE3-CB 4.25Å; W244-L259 PolarHBondContact N-O 2.88Å; W244-L259 PolarHBondContact O-N 2.73Å; L259-V261 HydrophobicContact CD1-CG2 4.34Å; L259-V261 HydrophobicContact CD2-CG2 4.07Å; L259-V261 HydrophobicContact CG-CG2 3.99Å; L259-L311 HydrophobicContact CD2-CD2 3.77Å; L259-L311 HydrophobicContact CD2-CG 4.22Å
260H97.7Very high95.2Very high78 Ų7876.4 Ų76.436%0.36141%0.407SS..EExtended strand (participates in β ladder)trans-135.1120.6171.2-178.9-168.9000108.8D217 F242 C243 T257D217-H260 IonicContact OD2-CE1 3.84Å; D217-H260 PolarHBondContact OD2-CE1 3.34Å; F242-H260 WeakPolarHBondContact O-CA 3.23Å; C243-H260 PolarHBondContact SG-CD2 3.28Å; T257-H260 HydrophobicContact CG2-CB 4.37Å
261V98.1Very high94.8Very high19 Ų1981 Ų8112%0.11543%0.427CS..EExtended strand (participates in β ladder)trans-124.3120.6178.9-179.40000108.3G241 F242 L259 V264 A267 L311G241-V261 CarbonylContact C-O 3.49Å; G241-V261 VanDerWaalsContact CA-O 3.22Å; G241-V261 WeakPolarHBondContact CA-O 3.49Å; F242-V261 HydrophobicContact CB-CB 4.42Å; F242-V261 PolarHBondContact N-O 2.92Å; F242-V261 PolarHBondContact O-N 3.34Å; L259-V261 HydrophobicContact CD1-CG2 4.34Å; L259-V261 HydrophobicContact CD2-CG2 4.07Å; L259-V261 HydrophobicContact CG-CG2 3.99Å; V261-V264 HydrophobicContact CB-CG2 4.45Å; V261-V264 HydrophobicContact CG1-CG2 4.12Å; V261-A267 HydrophobicContact CG1-CB 3.62Å; V261-L311 HydrophobicContact CB-CD1 4.45Å; V261-L311 HydrophobicContact CG1-CD1 4.35Å; V261-L311 HydrophobicContact CG2-CD1 4.04Å; V261-L311 HydrophobicContact CG2-CG 4.29Å
262L97.4Very high94.3Very high134 Ų13480.9 Ų80.970%0.70243%0.426SS*.SBendtrans-69.9-39.2-177.2-64.5175.4000113G241G241-L262 VanDerWaalsContact CA-O 3.23Å; G241-L262 WeakPolarHBondContact CA-O 3.27Å
263D97.8Very high93.9Very high29 Ų2980.2 Ų80.216%0.15543%0.431CS..  trans-143.2109.6175.4-169.8-25.6000110R265 E266 A267D263-R265 PolarHBondContact O-N 2.78Å; D263-R265 WeakPolarHBondContact OD1-CA 3.16Å; D263-R265 WeakPolarHBondContact OD1-CB 3.37Å; D263-R265 VanDerWaalsContact OD1-CG 3.3Å; D263-R265 WeakPolarHBondContact OD1-CG 3.3Å; D263-R265 IonicContact OD1-CZ 3.8Å; D263-R265 PolarHBondContact OD1-N 2.94Å; D263-R265 IonicContact OD1-NE 3Å; D263-R265 PolarHBondContact OD1-NE 2.84Å; D263-R265 IonicContact OD1-NH2 2.72Å; D263-R265 IonicContact OD2-CZ 2.98Å; D263-R265 IonicContact OD2-NE 3.53Å; D263-R265 PolarHBondContact OD2-NE 3.02Å; D263-R265 VanDerWaalsContact OD2-NE 3.15Å; D263-R265 IonicContact OD2-NH2 3.31Å; D263-R265 PolarHBondContact OD2-NH2 3.26Å; D263-E266 HydrophobicContact CB-CB 4.49Å; D263-E266 HydrophobicContact CB-CG 4.21Å; D263-E266 PolarHBondContact O-N 3.19Å; D263-A267 PolarHBondContact O-N 3.27Å
264V98.1Very high93.9Very high0 Ų073.8 Ų73.80%041%0.408CS..Hα-helixtrans-65.3-26.1-179.1177.50000111.8E240 F242 V261 E266 A267 V268 L275 L278 I304 L311E240-V264 WeakPolarHBondContact O-CB 3.21Å; E240-V264 WeakPolarHBondContact O-CG2 3.5Å; E240-V264 PolarHBondContact O-N 3.2Å; F242-V264 HydrophobicContact CB-CG2 3.57Å; V261-V264 HydrophobicContact CB-CG2 4.45Å; V261-V264 HydrophobicContact CG1-CG2 4.12Å; V264-E266 VanDerWaalsContact C-N 3.27Å; V264-E266 PolarHBondContact O-N 3.35Å; V264-A267 PolarHBondContact O-N 3.26Å; V264-V268 HydrophobicContact CG1-CG2 3.8Å; V264-V268 WeakPolarHBondContact O-CG2 3.33Å; V264-V268 PolarHBondContact O-N 3.29Å; V264-L275 HydrophobicContact CG1-CD2 3.85Å; V264-L278 HydrophobicContact CB-CD1 3.83Å; V264-L278 HydrophobicContact CB-CD2 4.26Å; V264-L278 HydrophobicContact CG1-CD1 4.36Å; V264-L278 HydrophobicContact CG1-CD2 3.94Å; V264-L278 HydrophobicContact CG2-CD1 3.76Å; V264-I304 HydrophobicContact CG1-CD1 4.38Å; V264-L311 HydrophobicContact CB-CD1 4.19Å; V264-L311 HydrophobicContact CG1-CD1 3.62Å; V264-L311 HydrophobicContact CG2-CD1 3.75Å
265R97.4Very high94.1Very high100 Ų10068.1 Ų68.138%0.37738%0.382SS..Hα-helixtrans-67.6-30.9179.6-53.1171.1-66.8-164.3-1.4111.9E240 D263 L275 N276E240-R265 HydrophobicContact CB-CG 4.23Å; E240-R265 HydrophobicContact CG-CG 4.5Å; D263-R265 PolarHBondContact O-N 2.78Å; D263-R265 WeakPolarHBondContact OD1-CA 3.16Å; D263-R265 WeakPolarHBondContact OD1-CB 3.37Å; D263-R265 VanDerWaalsContact OD1-CG 3.3Å; D263-R265 WeakPolarHBondContact OD1-CG 3.3Å; D263-R265 IonicContact OD1-CZ 3.8Å; D263-R265 PolarHBondContact OD1-N 2.94Å; D263-R265 IonicContact OD1-NE 3Å; D263-R265 PolarHBondContact OD1-NE 2.84Å; D263-R265 IonicContact OD1-NH2 2.72Å; D263-R265 IonicContact OD2-CZ 2.98Å; D263-R265 IonicContact OD2-NE 3.53Å; D263-R265 PolarHBondContact OD2-NE 3.02Å; D263-R265 VanDerWaalsContact OD2-NE 3.15Å; D263-R265 IonicContact OD2-NH2 3.31Å; D263-R265 PolarHBondContact OD2-NH2 3.26Å; R265-L275 HydrophobicContact CB-CB 4.45Å; R265-L275 HydrophobicContact CG-CB 4.42Å; R265-L275 HydrophobicContact CG-CD2 4.3Å; R265-L275 HydrophobicContact CG-CG 4.08Å; R265-N276 VanDerWaalsContact CD-O 3.26Å; R265-N276 WeakPolarHBondContact CD-O 3.23Å
266E96Very high94.4Very high170 Ų17066.2 Ų66.279%0.79437%0.366SS*.Hα-helixtrans-85-31.9175.9-59.3-168.1164.700111.9D263 V264D263-E266 HydrophobicContact CB-CB 4.49Å; D263-E266 HydrophobicContact CB-CG 4.21Å; D263-E266 PolarHBondContact O-N 3.19Å; V264-E266 VanDerWaalsContact C-N 3.27Å; V264-E266 PolarHBondContact O-N 3.35Å
267A95.1Very high94.4Very high54 Ų5465.8 Ų65.845%0.44636%0.363SS..Hα-helixtrans-76.1-29.4-17800000113.9V261 D263 V264V261-A267 HydrophobicContact CG1-CB 3.62Å; D263-A267 PolarHBondContact O-N 3.27Å; V264-A267 PolarHBondContact O-N 3.26Å
268V94.7Very high94.5Very high8 Ų863.5 Ų63.55%0.04835%0.348CS..SBendtrans-99.8119.1-175.2178.50000111.4V264 V270 I304 L311 L313V264-V268 HydrophobicContact CG1-CG2 3.8Å; V264-V268 WeakPolarHBondContact O-CG2 3.33Å; V264-V268 PolarHBondContact O-N 3.29Å; V268-V270 HydrophobicContact CG1-CG2 4.23Å; V268-V270 PolarHBondContact O-N 3.18Å; V268-I304 HydrophobicContact CG1-CD1 4.33Å; V268-I304 HydrophobicContact CG1-CG1 4.22Å; V268-I304 HydrophobicContact CG2-CD1 4.23Å; V268-I304 HydrophobicContact CG2-CG2 3.87Å; V268-L311 HydrophobicContact CG2-CB 3.66Å; V268-L311 HydrophobicContact CG2-CD1 4.2Å; V268-L313 HydrophobicContact CG1-CB 4.1Å
269C91.4Very high94.5Very high109 Ų10962.5 Ų62.574%0.73634%0.343SS*.  trans-76.7117.6172.8-167.80000111
270V90.3Very high94.5Very high17 Ų1761.4 Ų61.410%0.10334%0.337CS..  trans-110.3109.1173.4-177.20000109.4V268 N272 G273 L275 L313V268-V270 HydrophobicContact CG1-CG2 4.23Å; V268-V270 PolarHBondContact O-N 3.18Å; V270-N272 PolarHBondContact O-N 3.08Å; V270-G273 PolarHBondContact O-N 2.59Å; V270-L275 HydrophobicContact CG2-CB 4.35Å; V270-L313 HydrophobicContact CG1-CD2 4.31Å; V270-L313 HydrophobicContact CG2-CD2 4.37Å
271E83.9Confident94.5Very high159 Ų15958 Ų5874%0.74332%0.323SS*.THydrogen-bonded Turntrans-60.9128.3177.7-66.1-172.9172.700111.5G273E271-G273 PolarHBondContact O-N 3.37Å
272N81.9Confident94.3Very high166 Ų16657.9 Ų57.989%0.88832%0.322SS*.THydrogen-bonded Turntrans54.535.4177.8-56.5-51.8000113.9V270V270-N272 PolarHBondContact O-N 3.08Å
273G85.1Confident94.3Very high47 Ų4752.8 Ų52.849%0.48529%0.294SS..SBendtrans-164.8-164.9179.200000112.5V270 E271V270-G273 PolarHBondContact O-N 2.59Å; E271-G273 PolarHBondContact O-N 3.37Å
274S92.7Very high94.1Very high60 Ų6051.6 Ų51.642%0.4229%0.287SS..  trans-146.3145.9176.958.80000108.5N276 T296S274-N276 PolarHBondContact OG-ND2 3.1Å; S274-T296 WeakPolarHBondContact O-CG2 3.44Å
275L97.3Very high93.7Very high11 Ų1156 Ų566%0.05831%0.308CS..  trans-84.8127.1162.4-179.761.5000108.2V264 R265 V270 Y277 L278 H302 I304V264-L275 HydrophobicContact CG1-CD2 3.85Å; R265-L275 HydrophobicContact CB-CB 4.45Å; R265-L275 HydrophobicContact CG-CB 4.42Å; R265-L275 HydrophobicContact CG-CD2 4.3Å; R265-L275 HydrophobicContact CG-CG 4.08Å; V270-L275 HydrophobicContact CG2-CB 4.35Å; L275-Y277 WeakPolarHBondContact CD1-O 3.36Å; L275-L278 HydrophobicContact CD2-CD2 4.1Å; L275-H302 HydrophobicContact CD1-CB 4.37Å; L275-I304 HydrophobicContact CD2-CD1 3.83Å
276N97.4Very high93.3Very high55 Ų5556.2 Ų56.229%0.29431%0.312SS..  trans-101.6-35.3-178.2-63.2160.6000112.9R265 S274 G295 T296 S297R265-N276 VanDerWaalsContact CD-O 3.26Å; R265-N276 WeakPolarHBondContact CD-O 3.23Å; S274-N276 PolarHBondContact OG-ND2 3.1Å; N276-G295 PolarHBondContact N-O 2.85Å; N276-T296 WeakPolarHBondContact OD1-CA 3.48Å; N276-S297 PolarHBondContact OD1-N 3.44Å
277Y98.2Very high93Very high30 Ų3049.7 Ų49.712%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-160.7163.4-176.660.6-93.6000110.5E240 L275 V279 G294 G295 T296 A324 V325E240-Y277 WeakPolarHBondContact OE1-CA 3.45Å; E240-Y277 VanDerWaalsContact OE1-CB 3.27Å; E240-Y277 WeakPolarHBondContact OE1-CB 3.37Å; L275-Y277 WeakPolarHBondContact CD1-O 3.36Å; Y277-V279 HydrophobicContact CD2-CG2 4.21Å; Y277-V279 HydrophobicContact CE2-CG2 3.74Å; Y277-G294 CarbonylContact O-C 3.54Å; Y277-G294 VanDerWaalsContact O-CA 3.26Å; Y277-G294 WeakPolarHBondContact O-CA 3.41Å; Y277-G295 PolarHBondContact O-N 3.38Å; Y277-T296 PolarHBondContact OH-O 2.83Å; Y277-A324 HydrophobicContact CE1-CB 4.09Å; Y277-A324 WeakPolarHBondContact OH-CA 3.42Å; Y277-A324 WeakPolarHBondContact OH-CB 3.11Å; Y277-V325 VanDerWaalsContact CE2-O 3.31Å; Y277-V325 WeakPolarHBondContact CE2-O 3.33Å; Y277-V325 PolarHBondContact OH-N 3.31Å; Y277-V325 PolarHBondContact OH-O 3.08Å
278L98.4Very high92.9Very high20 Ų2051.6 Ų51.611%0.10529%0.289CS..EExtended strand (participates in β ladder)trans-100.4145172.9-59.7166.8000110.6M236 E240 V264 L275M236-L278 HydrophobicContact CE-CB 3.35Å; M236-L278 HydrophobicContact CE-CD1 3.28Å; M236-L278 HydrophobicContact CE-CD2 3.7Å; M236-L278 HydrophobicContact CE-CG 3.57Å; M236-L278 HydrophobicContact SD-CB 4.41Å; E240-L278 HydrophobicContact CB-CD1 4.21Å; E240-L278 WeakPolarHBondContact OE2-CB 3.47Å; E240-L278 VanDerWaalsContact OE2-CG 3.22Å; E240-L278 WeakPolarHBondContact OE2-CG 3.23Å; E240-L278 PolarHBondContact OE2-N 2.84Å; V264-L278 HydrophobicContact CB-CD1 3.83Å; V264-L278 HydrophobicContact CB-CD2 4.26Å; V264-L278 HydrophobicContact CG1-CD1 4.36Å; V264-L278 HydrophobicContact CG1-CD2 3.94Å; V264-L278 HydrophobicContact CG2-CD1 3.76Å; L275-L278 HydrophobicContact CD2-CD2 4.1Å
279V98.1Very high92.9Very high23 Ų2355.3 Ų55.314%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-102-37.6177.9-169.90000110.8Y277 V293 F328Y277-V279 HydrophobicContact CD2-CG2 4.21Å; Y277-V279 HydrophobicContact CE2-CG2 3.74Å; V279-V293 HydrophobicContact CB-CB 4.4Å; V279-V293 HydrophobicContact CB-CG1 4.25Å; V279-V293 HydrophobicContact CG2-CG1 4.34Å; V279-V293 PolarHBondContact N-O 2.89Å; V279-F328 HydrophobicContact CB-CD1 4.19Å; V279-F328 HydrophobicContact CB-CE1 4.36Å; V279-F328 HydrophobicContact CG1-CD1 3.72Å; V279-F328 HydrophobicContact CG1-CE1 4.21Å
280G98Very high93.1Very high0 Ų050.3 Ų50.30%027%0.27CS..EExtended strand (participates in β ladder)trans162-171.8-178.100000111.8M236 V293M236-G280 WeakPolarHBondContact SD-CA 3.19Å; G280-V293 PolarHBondContact N-O 2.8Å; G280-V293 PolarHBondContact O-N 2.93Å
281G97.1Very high93.4Very high6 Ų649.5 Ų49.56%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-127.6163.9177.100000113.1Y234 L291Y234-G281 WeakPolarHBondContact OH-CA 3.16Å; Y234-G281 PolarHBondContact OH-O 2.88Å; G281-L291 CarbonylContact C-O 3.52Å; G281-L291 WeakPolarHBondContact CA-O 3.49Å
282L94.9Very high94.1Very high18 Ų1841.9 Ų41.99%0.09423%0.23CC..EExtended strand (participates in β ladder)trans-148.1141.5171.476.299.3000111.2Y234 H284 L291 V293 F328 W330Y234-L282 PolarHBondContact OH-N 3.32Å; L282-H284 HydrophobicContact CD1-CB 4.22Å; L282-L291 HydrophobicContact CD1-CD1 4.02Å; L282-L291 HydrophobicContact CG-CB 4.27Å; L282-L291 HydrophobicContact CG-CD1 4.34Å; L282-L291 PolarHBondContact N-O 2.92Å; L282-L291 PolarHBondContact O-N 3.45Å; L282-V293 HydrophobicContact CD2-CG2 4.24Å; L282-F328 HydrophobicContact CB-CE2 4.12Å; L282-F328 HydrophobicContact CD2-CD2 4.2Å; L282-F328 HydrophobicContact CD2-CE2 3.52Å; L282-F328 HydrophobicContact CD2-CZ 4.37Å; L282-F328 HydrophobicContact CG-CE2 4.42Å; L282-W330 HydrophobicContact CD1-CB 4.16Å; L282-W330 HydrophobicContact CD1-CG 4.08Å; L282-W330 HydrophobicContact CD2-CB 3.8Å; L282-W330 HydrophobicContact CD2-CG 4.35Å
283Y96Very high94.9Very high27 Ų2734 Ų3411%0.10619%0.188CC..EExtended strand (participates in β ladder)trans-95121.6171.4174.9-113.7000110.2G227 K228 Y230 E285 D288G227-Y283 VanDerWaalsContact N-CD2 3.34Å; G227-Y283 VanDerWaalsContact O-CE1 3.23Å; G227-Y283 WeakPolarHBondContact O-CE1 3.28Å; G227-Y283 VanDerWaalsContact O-CZ 3.32Å; G227-Y283 PolarHBondContact O-OH 2.89Å; K228-Y283 PolarHBondContact N-OH 3.03Å; Y230-Y283 HydrophobicContact CD1-CD1 4.16Å; Y230-Y283 AromaticContact CE1-CD1 3.61Å; Y230-Y283 HydrophobicContact CE1-CD1 3.61Å; Y230-Y283 HydrophobicContact CE1-CE1 4.33Å; Y283-E285 HydrophobicContact CD1-CG 4.13Å; Y283-E285 HydrophobicContact CE1-CB 4.47Å; Y283-E285 HydrophobicContact CE1-CG 4.01Å; Y283-E285 PolarHBondContact O-N 2.72Å; Y283-D288 PolarHBondContact OH-OD1 2.91Å
284H93.4Very high95.5Very high3 Ų331.8 Ų31.81%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-93.691.1-177.9-169.7-76000110.6I4 L282 K286 A287 D288 K289 L291 W330I4-H284 HydrophobicContact CD1-CB 4.02Å; L282-H284 HydrophobicContact CD1-CB 4.22Å; H284-K286 VanDerWaalsContact C-N 3.35Å; H284-K286 PolarHBondContact O-N 2.89Å; H284-A287 HydrophobicContact CB-CB 4.4Å; H284-A287 WeakPolarHBondContact ND1-CB 3.49Å; H284-A287 PolarHBondContact ND1-N 3.11Å; H284-A287 CarbonylContact O-C 3.53Å; H284-A287 PolarHBondContact O-N 2.85Å; H284-D288 PolarHBondContact O-N 2.8Å; H284-K289 PolarHBondContact N-O 2.82Å; H284-L291 HydrophobicContact CB-CD1 4.26Å; H284-W330 AromaticContact CD2-CE2 3.74Å; H284-W330 AromaticContact CD2-CZ2 3.94Å; H284-W330 AromaticContact CD2-NE1 3.28Å; H284-W330 PolarHBondContact CD2-NE1 3.15Å; H284-W330 VanDerWaalsContact CD2-NE1 3.28Å; H284-W330 AromaticContact NE2-CE2 3.86Å; H284-W330 AromaticContact NE2-CZ2 3.68Å; H284-W330 AromaticContact NE2-NE1 3.54Å
285E90.9Very high95.7Very high94 Ų9429 Ų2944%0.43915%0.145SC..THydrogen-bonded Turntrans-51.2-45.1-172.3-62.8-179.2146.600114.4Y230 Y283 A287 D288Y230-E285 VanDerWaalsContact CE2-OE1 3.26Å; Y230-E285 WeakPolarHBondContact CE2-OE1 3.44Å; Y230-E285 VanDerWaalsContact CZ-OE1 3.25Å; Y230-E285 WeakPolarHBondContact OH-CG 3.35Å; Y230-E285 PolarHBondContact OH-OE1 2.85Å; Y283-E285 HydrophobicContact CD1-CG 4.13Å; Y283-E285 HydrophobicContact CE1-CB 4.47Å; Y283-E285 HydrophobicContact CE1-CG 4.01Å; Y283-E285 PolarHBondContact O-N 2.72Å; E285-A287 PolarHBondContact O-N 2.93Å; E285-D288 PolarHBondContact O-N 2.8Å
286K89.3Confident95.7Very high104 Ų10428.9 Ų28.945%0.45215%0.145SC..THydrogen-bonded Turntrans-63-28-179.4-73.4174.4173.8169.20113.1H284 V332 E335H284-K286 VanDerWaalsContact C-N 3.35Å; H284-K286 PolarHBondContact O-N 2.89Å; K286-V332 HydrophobicContact CD-CG1 3.93Å; K286-V332 HydrophobicContact CG-CG1 4Å; K286-V332 PolarHBondContact NZ-O 2.96Å; K286-E335 IonicContact NZ-OE1 3.76Å; K286-E335 PolarHBondContact NZ-OE1 3.47Å
287A89.6Confident95.7Very high32 Ų3230.4 Ų30.426%0.26416%0.16SC..THydrogen-bonded Turntrans-104-9.9-176.400000112.5I4 H284 E285 K289I4-A287 HydrophobicContact CB-CB 4.38Å; I4-A287 HydrophobicContact CD1-CB 3.67Å; I4-A287 HydrophobicContact CG1-CB 4.1Å; H284-A287 HydrophobicContact CB-CB 4.4Å; H284-A287 WeakPolarHBondContact ND1-CB 3.49Å; H284-A287 PolarHBondContact ND1-N 3.11Å; H284-A287 CarbonylContact O-C 3.53Å; H284-A287 PolarHBondContact O-N 2.85Å; E285-A287 PolarHBondContact O-N 2.93Å; A287-K289 VanDerWaalsContact C-N 3.32Å; A287-K289 HydrophobicContact CB-CB 4.32Å; A287-K289 HydrophobicContact CB-CG 4.25Å; A287-K289 WeakPolarHBondContact O-CG 3.46Å; A287-K289 PolarHBondContact O-N 3.03Å
288D92.6Very high95.6Very high94 Ų9431.9 Ų31.950%0.50318%0.179SC..THydrogen-bonded Turntrans50.551.8-172.9-1668.1000111.6Y283 H284 E285Y283-D288 PolarHBondContact OH-OD1 2.91Å; H284-D288 PolarHBondContact O-N 2.8Å; E285-D288 PolarHBondContact O-N 2.8Å
289K93.7Very high95.5Very high87 Ų8731 Ų3138%0.37817%0.174SC..EExtended strand (participates in β ladder)trans-135.3130.7-175.4-74.8-74.4-179.1174.30110.8I4 H284 A287I4-K289 HydrophobicContact CD1-CB 3.96Å; I4-K289 HydrophobicContact CD1-CG 4.4Å; H284-K289 PolarHBondContact N-O 2.82Å; A287-K289 VanDerWaalsContact C-N 3.32Å; A287-K289 HydrophobicContact CB-CB 4.32Å; A287-K289 HydrophobicContact CB-CG 4.25Å; A287-K289 WeakPolarHBondContact O-CG 3.46Å; A287-K289 PolarHBondContact O-N 3.03Å
290L96.9Very high95.4Very high3 Ų331.4 Ų31.42%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-83.1135.216517859.4000109.5Y234 F242 W244 C306Y234-L290 HydrophobicContact CD1-CD1 3.66Å; Y234-L290 HydrophobicContact CD1-CD2 3.79Å; Y234-L290 HydrophobicContact CD1-CG 4.41Å; Y234-L290 HydrophobicContact CE1-CD1 3.42Å; Y234-L290 VanDerWaalsContact CE1-CD1 3.42Å; Y234-L290 HydrophobicContact CE1-CD2 4.43Å; Y234-L290 HydrophobicContact CE2-CD1 4.31Å; Y234-L290 HydrophobicContact CG-CD1 4.21Å; Y234-L290 HydrophobicContact CG-CD2 3.88Å; F242-L290 HydrophobicContact CE2-CD2 4.23Å; F242-L290 HydrophobicContact CZ-CD2 3.74Å; W244-L290 HydrophobicContact CD2-CD2 4.1Å; W244-L290 HydrophobicContact CG-CD2 4.17Å; W244-L290 HydrophobicContact CZ2-CB 4.49Å; W244-L290 HydrophobicContact CZ2-CD2 4.38Å; L290-C306 HydrophobicContact CB-CB 4.09Å; L290-C306 HydrophobicContact CD2-CB 4.19Å; L290-C306 HydrophobicContact CG-CB 4.11Å; L290-C306 PolarHBondContact O-N 2.89Å
291L96.6Very high95.4Very high0 Ų031.4 Ų31.40%018%0.176CC..EExtended strand (participates in β ladder)trans-127.1143.6178.2-59163.5000110.2I4 F8 G281 L282 H284 I304 V314I4-L291 HydrophobicContact CD1-CD1 3.87Å; I4-L291 HydrophobicContact CD1-CD2 4.22Å; I4-L291 HydrophobicContact CD1-CG 4.35Å; F8-L291 HydrophobicContact CE2-CD1 3.26Å; F8-L291 HydrophobicContact CE2-CD2 4.18Å; F8-L291 HydrophobicContact CE2-CG 4.35Å; F8-L291 HydrophobicContact CZ-CD1 3.29Å; G281-L291 CarbonylContact C-O 3.52Å; G281-L291 WeakPolarHBondContact CA-O 3.49Å; L282-L291 HydrophobicContact CD1-CD1 4.02Å; L282-L291 HydrophobicContact CG-CB 4.27Å; L282-L291 HydrophobicContact CG-CD1 4.34Å; L282-L291 PolarHBondContact N-O 2.92Å; L282-L291 PolarHBondContact O-N 3.45Å; H284-L291 HydrophobicContact CB-CD1 4.26Å; L291-I304 CarbonylContact C-O 3.56Å; L291-I304 WeakPolarHBondContact CA-O 3.41Å; L291-V314 HydrophobicContact CD2-CG2 4.33Å
292L98.1Very high95.4Very high0 Ų031.2 Ų31.20%017%0.173CC..EExtended strand (participates in β ladder)trans-105.4143.6167.3-47.9178.4000109.3M236 F242 I304 C306 L311M236-L292 HydrophobicContact CE-CB 4.16Å; M236-L292 HydrophobicContact CE-CD1 4.14Å; M236-L292 HydrophobicContact CE-CD2 3.95Å; M236-L292 HydrophobicContact CE-CG 4.29Å; M236-L292 HydrophobicContact SD-CD2 4.33Å; F242-L292 HydrophobicContact CB-CD1 4.38Å; F242-L292 HydrophobicContact CD1-CD1 4.42Å; F242-L292 HydrophobicContact CD2-CD1 3.78Å; F242-L292 HydrophobicContact CD2-CD2 3.78Å; F242-L292 HydrophobicContact CD2-CG 4.41Å; F242-L292 HydrophobicContact CE2-CD1 4.15Å; F242-L292 HydrophobicContact CE2-CD2 3.54Å; F242-L292 HydrophobicContact CE2-CG 4.38Å; F242-L292 HydrophobicContact CG-CD1 3.93Å; F242-L292 HydrophobicContact CZ-CD2 4.29Å; L292-I304 HydrophobicContact CB-CB 4.25Å; L292-I304 PolarHBondContact N-O 2.89Å; L292-I304 PolarHBondContact O-N 2.98Å; L292-C306 VanDerWaalsContact CG-SG 3.58Å; L292-L311 HydrophobicContact CD1-CD1 4.26Å; L292-L311 HydrophobicContact CD1-CD2 4.28Å
293V98.2Very high95.5Very high0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-109.9121.4172.7-174.30000107V279 G280 L282 I301 H302 L303 F328V279-V293 HydrophobicContact CB-CB 4.4Å; V279-V293 HydrophobicContact CB-CG1 4.25Å; V279-V293 HydrophobicContact CG2-CG1 4.34Å; V279-V293 PolarHBondContact N-O 2.89Å; G280-V293 PolarHBondContact N-O 2.8Å; G280-V293 PolarHBondContact O-N 2.93Å; L282-V293 HydrophobicContact CD2-CG2 4.24Å; V293-I301 HydrophobicContact CG1-CG2 3.67Å; V293-H302 WeakPolarHBondContact CA-O 3.49Å; V293-L303 HydrophobicContact CG1-CD2 4.5Å; V293-L303 HydrophobicContact CG2-CD2 3.94Å; V293-F328 HydrophobicContact CB-CD1 3.97Å; V293-F328 HydrophobicContact CB-CE1 3.74Å; V293-F328 HydrophobicContact CB-CG 4.47Å; V293-F328 HydrophobicContact CB-CZ 4.07Å; V293-F328 HydrophobicContact CG1-CD1 4.07Å; V293-F328 HydrophobicContact CG1-CE1 4.36Å; V293-F328 HydrophobicContact CG1-CG 4.38Å; V293-F328 HydrophobicContact CG2-CD1 4.06Å; V293-F328 HydrophobicContact CG2-CD2 3.99Å; V293-F328 HydrophobicContact CG2-CE1 3.76Å; V293-F328 HydrophobicContact CG2-CE2 3.7Å; V293-F328 HydrophobicContact CG2-CG 4.18Å; V293-F328 HydrophobicContact CG2-CZ 3.57Å
294G98Very high95.5Very high0 Ų029.2 Ų29.20%016%0.164CC..EExtended strand (participates in β ladder)trans-127.3179173.700000111.3Y277 I301 H302Y277-G294 CarbonylContact O-C 3.54Å; Y277-G294 VanDerWaalsContact O-CA 3.26Å; Y277-G294 WeakPolarHBondContact O-CA 3.41Å; G294-I301 CarbonylContact O-C 3.58Å; G294-I301 WeakPolarHBondContact O-CA 3.44Å; G294-H302 PolarHBondContact N-O 3.13Å; G294-H302 PolarHBondContact O-N 2.68Å
295G97.4Very high95.6Very high1 Ų129.5 Ų29.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-158.8-173.9-176.900000115.5N276 Y277 N300N276-G295 PolarHBondContact N-O 2.85Å; Y277-G295 PolarHBondContact O-N 3.38Å; G295-N300 CarbonylContact C-O 3.52Å; G295-N300 WeakPolarHBondContact CA-O 3.33Å
296T97.6Very high95.9Very high9 Ų925.2 Ų25.26%0.05515%0.147CC..  trans-125.7155.4176.361.80000109.8S274 N276 Y277 A298 G299 N300 H302S274-T296 WeakPolarHBondContact O-CG2 3.44Å; N276-T296 WeakPolarHBondContact OD1-CA 3.48Å; Y277-T296 PolarHBondContact OH-O 2.83Å; T296-A298 PolarHBondContact O-N 3Å; T296-A298 VanDerWaalsContact O-N 3.09Å; T296-G299 PolarHBondContact O-N 2.93Å; T296-N300 HydrophobicContact CG2-CB 4.2Å; T296-N300 PolarHBondContact N-O 3.37Å; T296-N300 WeakPolarHBondContact OG1-CB 3.33Å; T296-N300 PolarHBondContact OG1-N 3.24Å; T296-N300 VanDerWaalsContact OG1-N 3.08Å; T296-N300 PolarHBondContact OG1-ND2 3.06Å; T296-H302 WeakPolarHBondContact CG2-NE2 3.5Å
297S96Very high96.1Very high87 Ų8721.4 Ų21.461%0.60814%0.137SC*.THydrogen-bonded Turntrans-58.2-22.8173.656.40000113.3N276 G299N276-S297 PolarHBondContact OD1-N 3.44Å; S297-G299 VanDerWaalsContact C-N 3.31Å
298A96Very high96.2Very high62 Ų6225.3 Ų25.351%0.51215%0.153SC..THydrogen-bonded Turntrans-81.8-0.4175.300000114.6T296T296-A298 PolarHBondContact O-N 3Å; T296-A298 VanDerWaalsContact O-N 3.09Å
299G97Very high96.2Very high1 Ų129.3 Ų29.31%0.0117%0.174CC..SBendtrans8711.2175.900000116.2T296 S297 A323T296-G299 PolarHBondContact O-N 2.93Å; S297-G299 VanDerWaalsContact C-N 3.31Å; G299-A323 WeakPolarHBondContact CA-O 3.26Å
300N96.8Very high96.2Very high31 Ų3126.1 Ų26.117%0.16617%0.167CC..  trans-70.4144.2164.6-55.4-59.1000110.2G295 T296 T316 L317 R318G295-N300 CarbonylContact C-O 3.52Å; G295-N300 WeakPolarHBondContact CA-O 3.33Å; T296-N300 HydrophobicContact CG2-CB 4.2Å; T296-N300 PolarHBondContact N-O 3.37Å; T296-N300 WeakPolarHBondContact OG1-CB 3.33Å; T296-N300 PolarHBondContact OG1-N 3.24Å; T296-N300 VanDerWaalsContact OG1-N 3.08Å; T296-N300 PolarHBondContact OG1-ND2 3.06Å; N300-T316 HydrophobicContact CB-CG2 4.13Å; N300-L317 WeakPolarHBondContact CA-O 3.03Å; N300-R318 PolarHBondContact ND2-NH1 2.81Å; N300-R318 WeakPolarHBondContact OD1-CG 3.36Å; N300-R318 PolarHBondContact OD1-NH1 3.1Å
301I97.5Very high96.2Very high1 Ų127.1 Ų27.11%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-113.6129.9176.8-58.8150000108.5V293 G294 T316 L317 V325 T339 W349V293-I301 HydrophobicContact CG1-CG2 3.67Å; G294-I301 CarbonylContact O-C 3.58Å; G294-I301 WeakPolarHBondContact O-CA 3.44Å; I301-T316 CarbonylContact O-C 3.6Å; I301-T316 VanDerWaalsContact O-CA 3.24Å; I301-T316 WeakPolarHBondContact O-CA 3.38Å; I301-T316 WeakPolarHBondContact O-CG2 3.3Å; I301-L317 HydrophobicContact CB-CB 4.17Å; I301-L317 HydrophobicContact CD1-CB 4.38Å; I301-L317 HydrophobicContact CD1-CD1 4.43Å; I301-L317 PolarHBondContact N-O 2.57Å; I301-L317 PolarHBondContact O-N 3.09Å; I301-V325 HydrophobicContact CD1-CG2 4.13Å; I301-V325 HydrophobicContact CG1-CB 4.38Å; I301-V325 HydrophobicContact CG1-CG1 4.45Å; I301-V325 HydrophobicContact CG1-CG2 3.7Å; I301-T339 HydrophobicContact CD1-CG2 3.79Å; I301-W349 HydrophobicContact CD1-CZ2 3.84Å
302H97Very high96.1Very high1 Ų130 Ų301%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-106.6131.4175.6-62.2-61.6000109.6L275 V293 G294 T296 L313 T316L275-H302 HydrophobicContact CD1-CB 4.37Å; V293-H302 WeakPolarHBondContact CA-O 3.49Å; G294-H302 PolarHBondContact N-O 3.13Å; G294-H302 PolarHBondContact O-N 2.68Å; T296-H302 WeakPolarHBondContact CG2-NE2 3.5Å; H302-L313 HydrophobicContact CB-CD1 3.92Å; H302-T316 VanDerWaalsContact CE1-CG2 3.44Å; H302-T316 WeakPolarHBondContact CE1-CG2 3.26Å; H302-T316 PolarHBondContact CE1-OG1 3.49Å; H302-T316 WeakPolarHBondContact ND1-CG2 3.31Å; H302-T316 PolarHBondContact ND1-OG1 2.96Å
303L96.1Very high95.9Very high2 Ų232.7 Ų32.71%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-105.4125172-62173.7000107.9F8 V293 V314 G315F8-L303 HydrophobicContact CB-CD1 3.73Å; F8-L303 HydrophobicContact CD1-CD1 3.47Å; F8-L303 VanDerWaalsContact CD1-CD1 3.47Å; F8-L303 HydrophobicContact CD2-CD1 4.2Å; F8-L303 HydrophobicContact CE1-CD1 4.1Å; F8-L303 HydrophobicContact CG-CD1 3.55Å; V293-L303 HydrophobicContact CG1-CD2 4.5Å; V293-L303 HydrophobicContact CG2-CD2 3.94Å; L303-V314 HydrophobicContact CB-CB 4.37Å; L303-V314 WeakPolarHBondContact O-CA 3.49Å; L303-V314 WeakPolarHBondContact O-CB 3.29Å; L303-V314 PolarHBondContact O-N 3.04Å; L303-G315 PolarHBondContact N-O 2.98Å; L303-G315 PolarHBondContact O-N 3.43Å
304I97Very high95.7Very high1 Ų133.7 Ų33.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-126.2131.5-171.7-59.5158.4000107.2V264 V268 L275 L291 L292 L311 S312 L313V264-I304 HydrophobicContact CG1-CD1 4.38Å; V268-I304 HydrophobicContact CG1-CD1 4.33Å; V268-I304 HydrophobicContact CG1-CG1 4.22Å; V268-I304 HydrophobicContact CG2-CD1 4.23Å; V268-I304 HydrophobicContact CG2-CG2 3.87Å; L275-I304 HydrophobicContact CD2-CD1 3.83Å; L291-I304 CarbonylContact C-O 3.56Å; L291-I304 WeakPolarHBondContact CA-O 3.41Å; L292-I304 HydrophobicContact CB-CB 4.25Å; L292-I304 PolarHBondContact N-O 2.89Å; L292-I304 PolarHBondContact O-N 2.98Å; I304-L311 HydrophobicContact CG2-CB 3.95Å; I304-S312 CarbonylContact C-O 3.55Å; I304-S312 VanDerWaalsContact CA-O 3.31Å; I304-S312 WeakPolarHBondContact CA-O 3.17Å; I304-L313 HydrophobicContact CG1-CD1 4.27Å
305T95.6Very high95.4Very high10 Ų1034.5 Ų34.56%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-95.9141.4174.9-171.20000110.9L311 S312 V314T305-L311 WeakPolarHBondContact O-CA 3.45Å; T305-S312 WeakPolarHBondContact CG2-OG 3.39Å; T305-S312 PolarHBondContact N-O 3.34Å; T305-S312 PolarHBondContact O-N 2.94Å; T305-V314 HydrophobicContact CG2-CG2 3.72Å
306C96.2Very high95.2Very high4 Ų436.3 Ų36.33%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-94.7130.2174.1-540000109.7F242 W244 L290 L292 L311F242-C306 HydrophobicContact CE1-CB 4.48Å; F242-C306 HydrophobicContact CZ-CB 4.42Å; W244-C306 HydrophobicContact CZ3-CB 4.44Å; L290-C306 HydrophobicContact CB-CB 4.09Å; L290-C306 HydrophobicContact CD2-CB 4.19Å; L290-C306 HydrophobicContact CG-CB 4.11Å; L290-C306 PolarHBondContact O-N 2.89Å; L292-C306 VanDerWaalsContact CG-SG 3.58Å; C306-L311 HydrophobicContact CB-CD2 4.09Å
307G94.3Very high95.1Very high24 Ų2436.3 Ų36.325%0.24723%0.231CC..EExtended strand (participates in β ladder)trans-133.4167.7166.600000110.3D309 G310G307-D309 PolarHBondContact O-N 2.84Å; G307-G310 PolarHBondContact N-O 3.38Å; G307-G310 PolarHBondContact O-N 3.37Å; G307-G310 VanDerWaalsContact O-O 3.1Å
308L91.9Very high95Very high114 Ų11437.9 Ų37.960%0.59722%0.224SC*.THydrogen-bonded Turntrans-62.5-28.8176.7-57.3179000111.9W244 L258 G310W244-L308 HydrophobicContact CZ3-CD2 4.02Å; L258-L308 HydrophobicContact CB-CD2 3.98Å; L258-L308 HydrophobicContact CD2-CD2 3.94Å; L258-L308 HydrophobicContact CG-CD2 4.4Å; L308-G310 VanDerWaalsContact C-N 3.25Å; L308-G310 PolarHBondContact O-N 3.03Å
309D91.6Very high94.8Very high177 Ų17737.7 Ų37.795%0.94723%0.228SC*.THydrogen-bonded Turntrans-82-0.6177-55.1-43.6000113.3G307G307-D309 PolarHBondContact O-N 2.84Å
310G94.9Very high94.6Very high21 Ų2138 Ų3822%0.21623%0.23CC..EExtended strand (participates in β ladder)trans124.5-161177.300000114.8G307 L308G307-G310 PolarHBondContact N-O 3.38Å; G307-G310 PolarHBondContact O-N 3.37Å; G307-G310 VanDerWaalsContact O-O 3.1Å; L308-G310 VanDerWaalsContact C-N 3.25Å; L308-G310 PolarHBondContact O-N 3.03Å
311L96.8Very high94.7Very high23 Ų2336.9 Ų36.912%0.1222%0.224CC..EExtended strand (participates in β ladder)trans-105.1139.8-174.1-56-179000110.8F242 L259 V261 V264 V268 L292 I304 T305 C306F242-L311 HydrophobicContact CD1-CD2 4.22Å; F242-L311 HydrophobicContact CE1-CD2 4.28Å; L259-L311 HydrophobicContact CD2-CD2 3.77Å; L259-L311 HydrophobicContact CD2-CG 4.22Å; V261-L311 HydrophobicContact CB-CD1 4.45Å; V261-L311 HydrophobicContact CG1-CD1 4.35Å; V261-L311 HydrophobicContact CG2-CD1 4.04Å; V261-L311 HydrophobicContact CG2-CG 4.29Å; V264-L311 HydrophobicContact CB-CD1 4.19Å; V264-L311 HydrophobicContact CG1-CD1 3.62Å; V264-L311 HydrophobicContact CG2-CD1 3.75Å; V268-L311 HydrophobicContact CG2-CB 3.66Å; V268-L311 HydrophobicContact CG2-CD1 4.2Å; L292-L311 HydrophobicContact CD1-CD1 4.26Å; L292-L311 HydrophobicContact CD1-CD2 4.28Å; I304-L311 HydrophobicContact CG2-CB 3.95Å; T305-L311 WeakPolarHBondContact O-CA 3.45Å; C306-L311 HydrophobicContact CB-CD2 4.09Å
312S94.4Very high94.6Very high60 Ų6040.9 Ų40.942%0.4226%0.257SS..EExtended strand (participates in β ladder)trans-139.1137.9177.653.30000112.8I304 T305 V314I304-S312 CarbonylContact C-O 3.55Å; I304-S312 VanDerWaalsContact CA-O 3.31Å; I304-S312 WeakPolarHBondContact CA-O 3.17Å; T305-S312 WeakPolarHBondContact CG2-OG 3.39Å; T305-S312 PolarHBondContact N-O 3.34Å; T305-S312 PolarHBondContact O-N 2.94Å; S312-V314 PolarHBondContact O-N 3.21Å
313L94.4Very high94.7Very high57 Ų5741.9 Ų41.930%0.29827%0.265SS..EExtended strand (participates in β ladder)trans-69.7123.1177.9-17770.9000109.9V268 V270 H302 I304V268-L313 HydrophobicContact CG1-CB 4.1Å; V270-L313 HydrophobicContact CG1-CD2 4.31Å; V270-L313 HydrophobicContact CG2-CD2 4.37Å; H302-L313 HydrophobicContact CB-CD1 3.92Å; I304-L313 HydrophobicContact CG1-CD1 4.27Å
314V92.6Very high94.7Very high22 Ų2242.2 Ų42.213%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-89.8-42.1176.7179.80000111E5 F8 L291 L303 T305 S312E5-V314 HydrophobicContact CB-CG1 4.04Å; E5-V314 HydrophobicContact CG-CG1 3.79Å; F8-V314 HydrophobicContact CB-CG1 4.33Å; F8-V314 HydrophobicContact CD2-CG1 3.96Å; L291-V314 HydrophobicContact CD2-CG2 4.33Å; L303-V314 HydrophobicContact CB-CB 4.37Å; L303-V314 WeakPolarHBondContact O-CA 3.49Å; L303-V314 WeakPolarHBondContact O-CB 3.29Å; L303-V314 PolarHBondContact O-N 3.04Å; T305-V314 HydrophobicContact CG2-CG2 3.72Å; S312-V314 PolarHBondContact O-N 3.21Å
315G91.9Very high94.8Very high17 Ų1742.2 Ų42.218%0.17527%0.268CS..EExtended strand (participates in β ladder)trans-174.6165.1-176.500000113.2L303L303-G315 PolarHBondContact N-O 2.98Å; L303-G315 PolarHBondContact O-N 3.43Å
316T94.4Very high94.9Very high39 Ų3947.6 Ų47.624%0.23929%0.288CS..EExtended strand (participates in β ladder)trans-127.4124.5175.6-56.10000110.4N300 I301 H302 R318N300-T316 HydrophobicContact CB-CG2 4.13Å; I301-T316 CarbonylContact O-C 3.6Å; I301-T316 VanDerWaalsContact O-CA 3.24Å; I301-T316 WeakPolarHBondContact O-CA 3.38Å; I301-T316 WeakPolarHBondContact O-CG2 3.3Å; H302-T316 VanDerWaalsContact CE1-CG2 3.44Å; H302-T316 WeakPolarHBondContact CE1-CG2 3.26Å; H302-T316 PolarHBondContact CE1-OG1 3.49Å; H302-T316 WeakPolarHBondContact ND1-CG2 3.31Å; H302-T316 PolarHBondContact ND1-OG1 2.96Å; T316-R318 HydrophobicContact CG2-CG 3.7Å
317L95.3Very high95Very high8 Ų847.6 Ų47.64%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-91.6125.4171.4-47.8178.2000108.7L11 N300 I301 L337 W349L11-L317 HydrophobicContact CB-CD2 3.8Å; L11-L317 HydrophobicContact CD1-CD1 4.18Å; L11-L317 HydrophobicContact CD1-CD2 4.43Å; N300-L317 WeakPolarHBondContact CA-O 3.03Å; I301-L317 HydrophobicContact CB-CB 4.17Å; I301-L317 HydrophobicContact CD1-CB 4.38Å; I301-L317 HydrophobicContact CD1-CD1 4.43Å; I301-L317 PolarHBondContact N-O 2.57Å; I301-L317 PolarHBondContact O-N 3.09Å; L317-L337 HydrophobicContact CD1-CD2 3.68Å; L317-W349 HydrophobicContact CB-CE3 4.2Å; L317-W349 HydrophobicContact CB-CH2 3.87Å; L317-W349 HydrophobicContact CB-CZ2 4.4Å; L317-W349 HydrophobicContact CB-CZ3 3.75Å; L317-W349 HydrophobicContact CD1-CD2 4.01Å; L317-W349 HydrophobicContact CD1-CE3 4.07Å; L317-W349 HydrophobicContact CD1-CG 4.35Å; L317-W349 HydrophobicContact CD1-CZ3 4.45Å; L317-W349 HydrophobicContact CD2-CE3 4.49Å; L317-W349 HydrophobicContact CG-CE3 4.49Å
318R94.1Very high95.1Very high121 Ų12147.9 Ų47.946%0.45728%0.282SS..  trans-126.8158.4-172.3-56.9-173.8177.1-87.17.4111.2N300 T316 G320N300-R318 PolarHBondContact ND2-NH1 2.81Å; N300-R318 WeakPolarHBondContact OD1-CG 3.36Å; N300-R318 PolarHBondContact OD1-NH1 3.1Å; T316-R318 HydrophobicContact CG2-CG 3.7Å; R318-G320 PolarHBondContact O-N 2.7Å
319G91.1Very high95.3Very high58 Ų5843.3 Ų43.360%0.59826%0.26SS*.SBendtrans69.71117500000114.6R16R16-G319 PolarHBondContact NH2-O 2.98Å
320G93.8Very high95.4Very high6 Ų636.1 Ų36.16%0.06222%0.219CC..SBendtrans-82.2-85172.300000110.3I13 R16 R318 L347I13-G320 VanDerWaalsContact CD1-CA 3.48Å; R16-G320 PolarHBondContact NH1-O 2.8Å; R318-G320 PolarHBondContact O-N 2.7Å; G320-L347 VanDerWaalsContact CA-CD1 3.43Å
321H97.4Very high95.2Very high9 Ų935.9 Ų35.94%0.04221%0.213CC..  trans-81.6155.7-176.8-68.4-82.5000112.5V325 T339 D343 Q345 L347H321-V325 HydrophobicContact CB-CG2 3.95Å; H321-V325 WeakPolarHBondContact CD2-CG2 3.06Å; H321-T339 WeakPolarHBondContact NE2-CB 3.5Å; H321-T339 PolarHBondContact NE2-OG1 3.09Å; H321-D343 WeakPolarHBondContact CA-OD2 3.41Å; H321-D343 WeakPolarHBondContact CB-OD2 3.27Å; H321-D343 IonicContact CE1-OD1 2.72Å; H321-D343 IonicContact CG-OD2 2.92Å; H321-D343 IonicContact ND1-OD1 2.76Å; H321-D343 PolarHBondContact ND1-OD1 2.96Å; H321-D343 IonicContact ND1-OD2 3.6Å; H321-D343 PolarHBondContact ND1-OD2 2.81Å; H321-Q345 PolarHBondContact CE1-O 3.07Å; H321-Q345 VanDerWaalsContact CE1-O 3.28Å; H321-L347 WeakPolarHBondContact NE2-CD1 3.43Å
322A96.9Very high94.5Very high85 Ų8536.4 Ų36.470%0.70222%0.217SC*.SBendtrans-106.2-117500000113.3D343A322-D343 HydrophobicContact CB-CB 4.36Å; A322-D343 PolarHBondContact N-OD2 3.05Å
323A97.4Very high93.9Very high21 Ų2138 Ų3817%0.17422%0.224CC..SBendtrans-148.8-175.8179.400000109.8G299 V325 E342 D343G299-A323 WeakPolarHBondContact CA-O 3.26Å; A323-V325 PolarHBondContact O-N 2.96Å; A323-E342 HydrophobicContact CB-CB 3.92Å; A323-D343 HydrophobicContact CB-CB 4.05Å
324A97.9Very high93.3Very high9 Ų937 Ų377%0.07422%0.22CC..  trans-59128-178.100000112.1Y277 G341 E342Y277-A324 HydrophobicContact CE1-CB 4.09Å; Y277-A324 WeakPolarHBondContact OH-CA 3.42Å; Y277-A324 WeakPolarHBondContact OH-CB 3.11Å; A324-G341 CarbonylContact O-C 3.49Å; A324-G341 WeakPolarHBondContact O-CA 3.42Å; A324-E342 HydrophobicContact CB-CG 4.33Å; A324-E342 PolarHBondContact O-N 3.4Å
325V98.4Very high93.1Very high1 Ų138.8 Ų38.81%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-73.8130.2167.1-175.40000108.9Y277 I301 H321 A323 T339 G340Y277-V325 VanDerWaalsContact CE2-O 3.31Å; Y277-V325 WeakPolarHBondContact CE2-O 3.33Å; Y277-V325 PolarHBondContact OH-N 3.31Å; Y277-V325 PolarHBondContact OH-O 3.08Å; I301-V325 HydrophobicContact CD1-CG2 4.13Å; I301-V325 HydrophobicContact CG1-CB 4.38Å; I301-V325 HydrophobicContact CG1-CG1 4.45Å; I301-V325 HydrophobicContact CG1-CG2 3.7Å; H321-V325 HydrophobicContact CB-CG2 3.95Å; H321-V325 WeakPolarHBondContact CD2-CG2 3.06Å; A323-V325 PolarHBondContact O-N 2.96Å; V325-T339 HydrophobicContact CG1-CG2 4.5Å; V325-G340 WeakPolarHBondContact CG1-O 3.32Å
326R97.5Very high93.2Very high123 Ų12338 Ų3846%0.46422%0.218SC..EExtended strand (participates in β ladder)trans-114.7-23.7-174.5-68.4-61.9-173177.7-1.5113.3L26 G340 E342L26-R326 WeakPolarHBondContact O-CB 3.27Å; R326-G340 PolarHBondContact N-O 2.74Å; R326-E342 HydrophobicContact CG-CG 3.93Å; R326-E342 IonicContact CZ-OE1 2.97Å; R326-E342 IonicContact NE-OE1 2.88Å; R326-E342 PolarHBondContact NE-OE1 3.27Å; R326-E342 IonicContact NH2-OE1 3.46Å; R326-E342 PolarHBondContact NH2-OE1 3.4Å
327S97.4Very high93.2Very high5 Ų536.3 Ų36.34%0.03521%0.208CC..EExtended strand (participates in β ladder)trans-145.7151-176.250.30000111.1L26 I29 T339 G340L26-S327 PolarHBondContact O-OG 2.78Å; I29-S327 WeakPolarHBondContact CD1-OG 3.32Å; I29-S327 WeakPolarHBondContact CG1-OG 3.32Å; S327-T339 WeakPolarHBondContact O-CA 3.36Å; S327-G340 PolarHBondContact N-O 2.98Å; S327-G340 PolarHBondContact O-N 2.88Å; S327-G340 PolarHBondContact OG-O 3.32Å
328F97.9Very high93.3Very high29 Ų2936 Ų3613%0.12721%0.206CC..EExtended strand (participates in β ladder)trans-147.7159.4171.373.4-84.1000110.6V279 L282 V293 L337 L338 T339V279-F328 HydrophobicContact CB-CD1 4.19Å; V279-F328 HydrophobicContact CB-CE1 4.36Å; V279-F328 HydrophobicContact CG1-CD1 3.72Å; V279-F328 HydrophobicContact CG1-CE1 4.21Å; L282-F328 HydrophobicContact CB-CE2 4.12Å; L282-F328 HydrophobicContact CD2-CD2 4.2Å; L282-F328 HydrophobicContact CD2-CE2 3.52Å; L282-F328 HydrophobicContact CD2-CZ 4.37Å; L282-F328 HydrophobicContact CG-CE2 4.42Å; V293-F328 HydrophobicContact CB-CD1 3.97Å; V293-F328 HydrophobicContact CB-CE1 3.74Å; V293-F328 HydrophobicContact CB-CG 4.47Å; V293-F328 HydrophobicContact CB-CZ 4.07Å; V293-F328 HydrophobicContact CG1-CD1 4.07Å; V293-F328 HydrophobicContact CG1-CE1 4.36Å; V293-F328 HydrophobicContact CG1-CG 4.38Å; V293-F328 HydrophobicContact CG2-CD1 4.06Å; V293-F328 HydrophobicContact CG2-CD2 3.99Å; V293-F328 HydrophobicContact CG2-CE1 3.76Å; V293-F328 HydrophobicContact CG2-CE2 3.7Å; V293-F328 HydrophobicContact CG2-CG 4.18Å; V293-F328 HydrophobicContact CG2-CZ 3.57Å; F328-L337 HydrophobicContact CB-CD1 4.12Å; F328-L337 HydrophobicContact CD2-CD1 3.95Å; F328-L337 HydrophobicContact CG-CD1 4.45Å; F328-L338 CarbonylContact C-O 3.58Å; F328-L338 WeakPolarHBondContact CA-O 3.22Å; F328-L338 WeakPolarHBondContact CB-O 3.39Å; F328-T339 HydrophobicContact CB-CG2 4.06Å
329C96.1Very high93.6Very high18 Ų1830.3 Ų30.312%0.12219%0.185CC..EExtended strand (participates in β ladder)trans-144125.1170.9-178.40000108.9I29 V31 L338I29-C329 HydrophobicContact CB-CB 4.37Å; I29-C329 HydrophobicContact CG2-CB 3.77Å; V31-C329 HydrophobicContact CG1-CB 4.38Å; C329-L338 HydrophobicContact CB-CB 4.43Å; C329-L338 PolarHBondContact N-O 2.93Å; C329-L338 PolarHBondContact O-N 2.88Å
330W93.9Very high93.9Very high27 Ų2727.5 Ų27.510%0.10216%0.156CC..EExtended strand (participates in β ladder)trans-95.9128.1175178.3-103.7000110.1F8 L11 L282 H284 E335 L337F8-W330 HydrophobicContact CD1-CH2 4.16Å; F8-W330 HydrophobicContact CD1-CZ3 4.22Å; F8-W330 HydrophobicContact CE1-CE3 4.07Å; F8-W330 AromaticContact CE1-CH2 3.54Å; F8-W330 HydrophobicContact CE1-CH2 3.54Å; F8-W330 HydrophobicContact CE1-CZ2 4.01Å; F8-W330 AromaticContact CE1-CZ3 3.6Å; F8-W330 HydrophobicContact CE1-CZ3 3.6Å; F8-W330 HydrophobicContact CZ-CH2 4.39Å; F8-W330 HydrophobicContact CZ-CZ2 4.44Å; L11-W330 HydrophobicContact CD1-CZ3 4.05Å; L11-W330 HydrophobicContact CD2-CZ3 4.34Å; L282-W330 HydrophobicContact CD1-CB 4.16Å; L282-W330 HydrophobicContact CD1-CG 4.08Å; L282-W330 HydrophobicContact CD2-CB 3.8Å; L282-W330 HydrophobicContact CD2-CG 4.35Å; H284-W330 AromaticContact CD2-CE2 3.74Å; H284-W330 AromaticContact CD2-CZ2 3.94Å; H284-W330 AromaticContact CD2-NE1 3.28Å; H284-W330 PolarHBondContact CD2-NE1 3.15Å; H284-W330 VanDerWaalsContact CD2-NE1 3.28Å; H284-W330 AromaticContact NE2-CE2 3.86Å; H284-W330 AromaticContact NE2-CZ2 3.68Å; H284-W330 AromaticContact NE2-NE1 3.54Å; W330-E335 VanDerWaalsContact CH2-C 3.46Å; W330-E335 HydrophobicContact CH2-CB 4.41Å; W330-E335 WeakPolarHBondContact CH2-O 3.32Å; W330-E335 HydrophobicContact CZ2-CB 4.31Å; W330-L337 HydrophobicContact CB-CD1 4.47Å; W330-L337 HydrophobicContact CE3-CB 3.84Å; W330-L337 HydrophobicContact CE3-CD1 4.16Å; W330-L337 HydrophobicContact CZ3-CB 4.02Å
331D89.2Confident94Very high16 Ų1627.2 Ų27.29%0.08615%0.153CC..EExtended strand (participates in β ladder)trans-102.1115.1168.9-172.8-54.9000110R57 T333 D334 E335 S336R57-D331 IonicContact CZ-OD2 3.67Å; R57-D331 IonicContact NE-OD2 3.37Å; R57-D331 IonicContact NH1-OD2 3.95Å; R57-D331 PolarHBondContact NH1-OD2 2.83Å; R57-D331 IonicContact NH2-OD1 3.74Å; R57-D331 IonicContact NH2-OD2 3.93Å; R57-D331 PolarHBondContact NH2-OD2 3.05Å; D331-T333 VanDerWaalsContact C-N 3.33Å; D331-T333 VanDerWaalsContact OD1-CA 3.22Å; D331-T333 WeakPolarHBondContact OD1-CA 3.47Å; D331-T333 WeakPolarHBondContact OD1-CB 3.44Å; D331-T333 PolarHBondContact OD1-N 3.03Å; D331-D334 HydrophobicContact CB-CB 4.45Å; D331-D334 PolarHBondContact OD1-N 3.33Å; D331-E335 VanDerWaalsContact O-CA 3.26Å; D331-E335 WeakPolarHBondContact O-CA 3.39Å; D331-E335 PolarHBondContact O-N 3.08Å; D331-S336 PolarHBondContact N-O 3.24Å; D331-S336 PolarHBondContact O-N 2.58Å
332V82Confident94.1Very high33 Ų3329.4 Ų29.420%0.216%0.163CC..THydrogen-bonded Turntrans-68.9-29.3179.6179.40000112.7K286K286-V332 HydrophobicContact CD-CG1 3.93Å; K286-V332 HydrophobicContact CG-CG1 4Å; K286-V332 PolarHBondContact NZ-O 2.96Å
333T81.8Confident94.1Very high93 Ų9326.7 Ų26.757%0.57114%0.137SC*.THydrogen-bonded Turntrans-73-48.8-179.6-51.30000111D331D331-T333 VanDerWaalsContact C-N 3.33Å; D331-T333 VanDerWaalsContact OD1-CA 3.22Å; D331-T333 WeakPolarHBondContact OD1-CA 3.47Å; D331-T333 WeakPolarHBondContact OD1-CB 3.44Å; D331-T333 PolarHBondContact OD1-N 3.03Å
334D82.7Confident94Very high38 Ų3826 Ų2620%0.20313%0.131CC..THydrogen-bonded Turntrans-89.9-5.8-178.5-75.4-8.5000113.4R41 R57 D331 S336R41-D334 IonicContact CZ-OD1 2.69Å; R41-D334 IonicContact NH1-OD1 3.54Å; R41-D334 PolarHBondContact NH1-OD1 2.87Å; R41-D334 IonicContact NH1-OD2 3.83Å; R41-D334 PolarHBondContact NH1-OD2 2.7Å; R57-D334 IonicContact CZ-OD2 3.81Å; R57-D334 IonicContact NH1-OD2 3.44Å; R57-D334 IonicContact NH2-OD2 3.28Å; R57-D334 PolarHBondContact NH2-OD2 2.83Å; D331-D334 HydrophobicContact CB-CB 4.45Å; D331-D334 PolarHBondContact OD1-N 3.33Å; D334-S336 PolarHBondContact O-N 2.93Å
335E88.6Confident93.9Very high59 Ų5927.4 Ų27.428%0.27614%0.136SC..THydrogen-bonded Turntrans50.844.4-175.8-60-173.1172.800111.4Q7 K286 W330 D331 P351Q7-E335 VanDerWaalsContact NE2-CG 3.32Å; Q7-E335 PolarHBondContact NE2-OE2 3.18Å; K286-E335 IonicContact NZ-OE1 3.76Å; K286-E335 PolarHBondContact NZ-OE1 3.47Å; W330-E335 VanDerWaalsContact CH2-C 3.46Å; W330-E335 HydrophobicContact CH2-CB 4.41Å; W330-E335 WeakPolarHBondContact CH2-O 3.32Å; W330-E335 HydrophobicContact CZ2-CB 4.31Å; D331-E335 VanDerWaalsContact O-CA 3.26Å; D331-E335 WeakPolarHBondContact O-CA 3.39Å; D331-E335 PolarHBondContact O-N 3.08Å; E335-P351 HydrophobicContact CB-CG 4.41Å; E335-P351 VanDerWaalsContact O-CD 3.22Å; E335-P351 WeakPolarHBondContact O-CD 3.18Å; E335-P351 WeakPolarHBondContact O-CG 3.49Å
336S92.7Very high93.9Very high1 Ų127.3 Ų27.31%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-125.8144.7-170.671.20000111.2D331 D334 W349D331-S336 PolarHBondContact N-O 3.24Å; D331-S336 PolarHBondContact O-N 2.58Å; D334-S336 PolarHBondContact O-N 2.93Å; S336-W349 VanDerWaalsContact CA-O 3.31Å; S336-W349 WeakPolarHBondContact CA-O 3.5Å; S336-W349 WeakPolarHBondContact CB-O 3.3Å
337L96Very high93.9Very high2 Ų221.5 Ų21.51%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-108.9132.4176.4-17769000109.2L11 L317 F328 W330 T339 W349L11-L337 HydrophobicContact CD1-CB 4.29Å; L317-L337 HydrophobicContact CD1-CD2 3.68Å; F328-L337 HydrophobicContact CB-CD1 4.12Å; F328-L337 HydrophobicContact CD2-CD1 3.95Å; F328-L337 HydrophobicContact CG-CD1 4.45Å; W330-L337 HydrophobicContact CB-CD1 4.47Å; W330-L337 HydrophobicContact CE3-CB 3.84Å; W330-L337 HydrophobicContact CE3-CD1 4.16Å; W330-L337 HydrophobicContact CZ3-CB 4.02Å; L337-T339 HydrophobicContact CD1-CG2 4.48Å; L337-T339 HydrophobicContact CD2-CG2 3.75Å; L337-T339 HydrophobicContact CG-CG2 3.81Å; L337-W349 HydrophobicContact CB-CB 4.13Å; L337-W349 HydrophobicContact CB-CG 4.44Å; L337-W349 PolarHBondContact N-O 2.98Å; L337-W349 VanDerWaalsContact O-CD1 3.29Å; L337-W349 PolarHBondContact O-N 2.82Å
338L97.8Very high93.9Very high3 Ų321.3 Ų21.32%0.01611%0.113CC..EExtended strand (participates in β ladder)trans-101.5139.9163.1-74.2161.3000109.1I29 V31 V43 L60 F328 C329 L346 L347 L348I29-L338 HydrophobicContact CG2-CB 4.36Å; V31-L338 HydrophobicContact CG1-CD1 3.46Å; V31-L338 VanDerWaalsContact CG1-CD1 3.46Å; V43-L338 HydrophobicContact CB-CD1 4.43Å; V43-L338 HydrophobicContact CG1-CD1 3.98Å; V43-L338 HydrophobicContact CG2-CD1 3.53Å; L60-L338 HydrophobicContact CD2-CD2 3.86Å; F328-L338 CarbonylContact C-O 3.58Å; F328-L338 WeakPolarHBondContact CA-O 3.22Å; F328-L338 WeakPolarHBondContact CB-O 3.39Å; C329-L338 HydrophobicContact CB-CB 4.43Å; C329-L338 PolarHBondContact N-O 2.93Å; C329-L338 PolarHBondContact O-N 2.88Å; L338-L346 HydrophobicContact CD2-CD1 4.2Å; L338-L346 HydrophobicContact CD2-CG 4.4Å; L338-L347 CarbonylContact C-O 3.48Å; L338-L347 VanDerWaalsContact CA-O 3.29Å; L338-L347 WeakPolarHBondContact CA-O 3.37Å; L338-L348 HydrophobicContact CD2-CB 3.94Å; L338-L348 HydrophobicContact CD2-CD1 3.81Å; L338-L348 HydrophobicContact CD2-CG 4.45Å; L338-L348 HydrophobicContact CG-CD1 4.07Å
339T98.5Very high93.9Very high0 Ų020.2 Ų20.20%011%0.108CC..EExtended strand (participates in β ladder)trans-136.8142.8174.959.10000111.7I301 H321 V325 S327 F328 L337 L346 L347 W349I301-T339 HydrophobicContact CD1-CG2 3.79Å; H321-T339 WeakPolarHBondContact NE2-CB 3.5Å; H321-T339 PolarHBondContact NE2-OG1 3.09Å; V325-T339 HydrophobicContact CG1-CG2 4.5Å; S327-T339 WeakPolarHBondContact O-CA 3.36Å; F328-T339 HydrophobicContact CB-CG2 4.06Å; L337-T339 HydrophobicContact CD1-CG2 4.48Å; L337-T339 HydrophobicContact CD2-CG2 3.75Å; L337-T339 HydrophobicContact CG-CG2 3.81Å; T339-L346 WeakPolarHBondContact O-CA 3.23Å; T339-L347 PolarHBondContact N-O 2.85Å; T339-L347 PolarHBondContact O-N 3.06Å; T339-W349 PolarHBondContact OG1-NE1 3.49Å
340G98.3Very high93.8Very high0 Ų022.1 Ų22.10%011%0.114CC..EExtended strand (participates in β ladder)trans-132.8145178.300000110.7I29 V325 R326 S327I29-G340 VanDerWaalsContact CD1-N 3.34Å; V325-G340 WeakPolarHBondContact CG1-O 3.32Å; R326-G340 PolarHBondContact N-O 2.74Å; S327-G340 PolarHBondContact N-O 2.98Å; S327-G340 PolarHBondContact O-N 2.88Å; S327-G340 PolarHBondContact OG-O 3.32Å
341G96.9Very high93.6Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-148.2-170.9-176.100000114.7L26 A324 D343 A344L26-G341 PolarHBondContact N-O 3.1Å; A324-G341 CarbonylContact O-C 3.49Å; A324-G341 WeakPolarHBondContact O-CA 3.42Å; G341-D343 PolarHBondContact O-N 2.9Å; G341-A344 PolarHBondContact O-N 3.04Å
342E97.6Very high93.5Very high55 Ų5524.6 Ų24.626%0.25715%0.145SC..THydrogen-bonded Turntrans-73.5-12.1178.9-64.8-177.216900113.5Y25 A323 A324 R326 A344Y25-E342 HydrophobicContact CD1-CB 3.91Å; Y25-E342 HydrophobicContact CD1-CG 4.31Å; Y25-E342 WeakPolarHBondContact CD1-O 3.45Å; Y25-E342 HydrophobicContact CD2-CG 4.15Å; Y25-E342 HydrophobicContact CE1-CB 4.02Å; Y25-E342 VanDerWaalsContact CE1-O 3.26Å; Y25-E342 WeakPolarHBondContact CE1-O 3.26Å; Y25-E342 HydrophobicContact CE2-CG 4.38Å; Y25-E342 HydrophobicContact CG-CB 4.22Å; Y25-E342 HydrophobicContact CG-CG 4.11Å; A323-E342 HydrophobicContact CB-CB 3.92Å; A324-E342 HydrophobicContact CB-CG 4.33Å; A324-E342 PolarHBondContact O-N 3.4Å; R326-E342 HydrophobicContact CG-CG 3.93Å; R326-E342 IonicContact CZ-OE1 2.97Å; R326-E342 IonicContact NE-OE1 2.88Å; R326-E342 PolarHBondContact NE-OE1 3.27Å; R326-E342 IonicContact NH2-OE1 3.46Å; R326-E342 PolarHBondContact NH2-OE1 3.4Å; E342-A344 PolarHBondContact O-N 2.94Å
343D96.9Very high93.8Very high27 Ų2724.2 Ų24.214%0.14415%0.145CC..THydrogen-bonded Turntrans-79.76.7173.263.1-0.5000113.4H321 A322 A323 G341 Q345H321-D343 WeakPolarHBondContact CA-OD2 3.41Å; H321-D343 WeakPolarHBondContact CB-OD2 3.27Å; H321-D343 IonicContact CE1-OD1 2.72Å; H321-D343 IonicContact CG-OD2 2.92Å; H321-D343 IonicContact ND1-OD1 2.76Å; H321-D343 PolarHBondContact ND1-OD1 2.96Å; H321-D343 IonicContact ND1-OD2 3.6Å; H321-D343 PolarHBondContact ND1-OD2 2.81Å; A322-D343 HydrophobicContact CB-CB 4.36Å; A322-D343 PolarHBondContact N-OD2 3.05Å; A323-D343 HydrophobicContact CB-CB 4.05Å; G341-D343 PolarHBondContact O-N 2.9Å; D343-Q345 PolarHBondContact O-N 3.4Å; D343-Q345 PolarHBondContact OD1-N 2.79Å; D343-Q345 VanDerWaalsContact OD1-N 3.14Å
344A96.7Very high93.6Very high7 Ų723.8 Ų23.86%0.05815%0.151CC..SBendtrans57.723.7-178.100000113.8L19 P23 A24 G341 E342L19-A344 HydrophobicContact CD2-CB 4.39Å; P23-A344 HydrophobicContact CB-CB 3.72Å; A24-A344 WeakPolarHBondContact O-CA 3.16Å; A24-A344 WeakPolarHBondContact O-CB 3.21Å; G341-A344 PolarHBondContact O-N 3.04Å; E342-A344 PolarHBondContact O-N 2.94Å
345Q96.3Very high93Very high38 Ų3826.6 Ų26.618%0.17816%0.163CC..  trans-104135.5176.7-62-161.1-10.800111.6L19 L26 H321 D343 L347L19-Q345 HydrophobicContact CD2-CG 3.95Å; L26-Q345 VanDerWaalsContact CD1-C 3.4Å; L26-Q345 VanDerWaalsContact CD1-O 3.29Å; L26-Q345 WeakPolarHBondContact CD1-O 3.45Å; H321-Q345 PolarHBondContact CE1-O 3.07Å; H321-Q345 VanDerWaalsContact CE1-O 3.28Å; D343-Q345 PolarHBondContact O-N 3.4Å; D343-Q345 PolarHBondContact OD1-N 2.79Å; D343-Q345 VanDerWaalsContact OD1-N 3.14Å; Q345-L347 HydrophobicContact CB-CD2 4.16Å; Q345-L347 HydrophobicContact CB-CG 4.45Å
346L97.8Very high91.7Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-98.8123.2161.9179.665.6000107.7S17 L26 I29 V43 V45 Y55 L60 L338 T339S17-L346 PolarHBondContact N-O 3.31Å; S17-L346 PolarHBondContact OG-N 3.14Å; S17-L346 PolarHBondContact OG-O 3.13Å; L26-L346 HydrophobicContact CD1-CB 3.82Å; I29-L346 HydrophobicContact CD1-CD1 3.66Å; I29-L346 HydrophobicContact CG1-CD1 4.34Å; V43-L346 HydrophobicContact CG1-CD2 4.16Å; V45-L346 HydrophobicContact CG2-CD1 4.34Å; V45-L346 HydrophobicContact CG2-CD2 4.12Å; Y55-L346 HydrophobicContact CD2-CD2 3.9Å; Y55-L346 HydrophobicContact CE2-CD2 4.36Å; Y55-L346 HydrophobicContact CG-CD2 3.99Å; L60-L346 HydrophobicContact CD1-CG 4.25Å; L60-L346 WeakPolarHBondContact CD1-O 3.46Å; L60-L346 HydrophobicContact CD2-CD2 3.86Å; L60-L346 HydrophobicContact CD2-CG 4.24Å; L338-L346 HydrophobicContact CD2-CD1 4.2Å; L338-L346 HydrophobicContact CD2-CG 4.4Å; T339-L346 WeakPolarHBondContact O-CA 3.23Å
347L97.8Very high89.5Confident0 Ų039 Ų390%022%0.222CC..EExtended strand (participates in β ladder)trans-115.7139.6179.7-55.4-176000110.5R16 G320 H321 L338 T339 Q345 W349R16-L347 HydrophobicContact CB-CD2 3.66Å; R16-L347 HydrophobicContact CG-CD2 3.51Å; G320-L347 VanDerWaalsContact CA-CD1 3.43Å; H321-L347 WeakPolarHBondContact NE2-CD1 3.43Å; L338-L347 CarbonylContact C-O 3.48Å; L338-L347 VanDerWaalsContact CA-O 3.29Å; L338-L347 WeakPolarHBondContact CA-O 3.37Å; T339-L347 PolarHBondContact N-O 2.85Å; T339-L347 PolarHBondContact O-N 3.06Å; Q345-L347 HydrophobicContact CB-CD2 4.16Å; Q345-L347 HydrophobicContact CB-CG 4.45Å; L347-W349 HydrophobicContact CD1-CZ2 3.84Å
348L97.1Very high87.2Confident2 Ų247 Ų471%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-111.7122.2172.5174.964.6000108.6A14 K15 L60 L338 K350A14-L348 HydrophobicContact CB-CG 4.39Å; A14-L348 WeakPolarHBondContact CB-O 3.23Å; A14-L348 PolarHBondContact N-O 2.72Å; K15-L348 HydrophobicContact CB-CB 4.18Å; K15-L348 HydrophobicContact CB-CD2 4.48Å; K15-L348 HydrophobicContact CG-CD2 4.39Å; K15-L348 PolarHBondContact N-O 2.86Å; K15-L348 PolarHBondContact O-N 3.48Å; L60-L348 HydrophobicContact CD1-CB 3.78Å; L60-L348 HydrophobicContact CD2-CB 4.35Å; L60-L348 HydrophobicContact CG-CB 4.19Å; L338-L348 HydrophobicContact CD2-CB 3.94Å; L338-L348 HydrophobicContact CD2-CD1 3.81Å; L338-L348 HydrophobicContact CD2-CG 4.45Å; L338-L348 HydrophobicContact CG-CD1 4.07Å; L348-K350 HydrophobicContact CD1-CG 4.48Å; L348-K350 HydrophobicContact CG-CG 4.32Å
349W96.5Very high84.2Confident5 Ų550.7 Ų50.72%0.01930%0.295CS..EExtended strand (participates in β ladder)trans-106.3128.6177.8-48.778.6000109.2L11 R12 I13 I301 L317 S336 L337 T339 L347L11-W349 HydrophobicContact CB-CB 4.36Å; L11-W349 HydrophobicContact CD2-CB 4.34Å; R12-W349 CarbonylContact O-C 3.6Å; R12-W349 VanDerWaalsContact O-CA 3.27Å; R12-W349 WeakPolarHBondContact O-CA 3.43Å; I13-W349 HydrophobicContact CD1-CH2 3.77Å; I13-W349 HydrophobicContact CD1-CZ2 4.4Å; I13-W349 HydrophobicContact CD1-CZ3 3.87Å; I13-W349 HydrophobicContact CG1-CD2 4.09Å; I13-W349 HydrophobicContact CG1-CE3 3.53Å; I13-W349 HydrophobicContact CG1-CH2 3.56Å; I13-W349 HydrophobicContact CG1-CZ2 4.11Å; I13-W349 HydrophobicContact CG1-CZ3 3.23Å; I301-W349 HydrophobicContact CD1-CZ2 3.84Å; L317-W349 HydrophobicContact CB-CE3 4.2Å; L317-W349 HydrophobicContact CB-CH2 3.87Å; L317-W349 HydrophobicContact CB-CZ2 4.4Å; L317-W349 HydrophobicContact CB-CZ3 3.75Å; L317-W349 HydrophobicContact CD1-CD2 4.01Å; L317-W349 HydrophobicContact CD1-CE3 4.07Å; L317-W349 HydrophobicContact CD1-CG 4.35Å; L317-W349 HydrophobicContact CD1-CZ3 4.45Å; L317-W349 HydrophobicContact CD2-CE3 4.49Å; L317-W349 HydrophobicContact CG-CE3 4.49Å; S336-W349 VanDerWaalsContact CA-O 3.31Å; S336-W349 WeakPolarHBondContact CA-O 3.5Å; S336-W349 WeakPolarHBondContact CB-O 3.3Å; L337-W349 HydrophobicContact CB-CB 4.13Å; L337-W349 HydrophobicContact CB-CG 4.44Å; L337-W349 PolarHBondContact N-O 2.98Å; L337-W349 VanDerWaalsContact O-CD1 3.29Å; L337-W349 PolarHBondContact O-N 2.82Å; T339-W349 PolarHBondContact OG1-NE1 3.49Å; L347-W349 HydrophobicContact CD1-CZ2 3.84Å
350K94.4Very high81.2Confident59 Ų5961.8 Ų61.826%0.25734%0.337SS..EExtended strand (participates in β ladder)trans-130.5151.3175.6-69-166.6171-169.90111.6R12 A14 L348 G352 A353R12-K350 PolarHBondContact N-O 2.99Å; R12-K350 PolarHBondContact O-N 3.21Å; A14-K350 HydrophobicContact CB-CB 4.02Å; A14-K350 HydrophobicContact CB-CD 4.42Å; A14-K350 HydrophobicContact CB-CG 4.04Å; L348-K350 HydrophobicContact CD1-CG 4.48Å; L348-K350 HydrophobicContact CG-CG 4.32Å; K350-G352 PolarHBondContact O-N 3.31Å; K350-A353 HydrophobicContact CB-CB 4.16Å; K350-A353 PolarHBondContact O-N 3.12Å
351P91.3Very high78.1Confident36 Ų3671.6 Ų71.623%0.23438%0.379CS..EExtended strand (participates in β ladder)trans-60.6127.7177-23.234000111.2R10 L11 E335 A353R10-P351 HydrophobicContact CB-CB 4.23Å; R10-P351 CarbonylContact O-C 3.54Å; R10-P351 WeakPolarHBondContact O-CA 3.36Å; L11-P351 HydrophobicContact CD2-CG 4.13Å; E335-P351 HydrophobicContact CB-CG 4.41Å; E335-P351 VanDerWaalsContact O-CD 3.22Å; E335-P351 WeakPolarHBondContact O-CD 3.18Å; E335-P351 WeakPolarHBondContact O-CG 3.49Å; P351-A353 PolarHBondContact O-N 2.63Å; P351-A353 VanDerWaalsContact O-N 3.15Å
352G86.1Confident74.9Confident59 Ų5977.1 Ų77.161%0.60841%0.413SS*.THydrogen-bonded Turntrans6712.5175.500000115.2R10 K350R10-G352 PolarHBondContact O-N 2.74Å; K350-G352 PolarHBondContact O-N 3.31Å
353A87.5Confident71.9Confident25 Ų2579.7 Ų79.721%0.20744%0.437CS..  trans-65.5142.4176.700000111.3R12 A14 K350 P351R12-A353 HydrophobicContact CB-CB 4.34Å; R12-A353 WeakPolarHBondContact CB-O 3.39Å; A14-A353 HydrophobicContact CB-CB 3.71Å; K350-A353 HydrophobicContact CB-CB 4.16Å; K350-A353 PolarHBondContact O-N 3.12Å; P351-A353 PolarHBondContact O-N 2.63Å; P351-A353 VanDerWaalsContact O-N 3.15Å
354A78.1Confident68.8Low84 Ų8486 Ų8669%0.69447%0.47SS*.  trans-105.6122.6165.200000107.9R356A354-R356 PolarHBondContact O-N 3.03Å
355E70.6Confident65.8Low97 Ų9795.3 Ų95.345%0.45351%0.509SS..  trans-61.1109.9173.9-172171.7-169.900107.9I13 R16 S357I13-E355 WeakPolarHBondContact O-CA 3.45Å; I13-E355 PolarHBondContact O-N 3.16Å; R16-E355 WeakPolarHBondContact CD-OE1 3.4Å; R16-E355 IonicContact CZ-OE1 3.37Å; R16-E355 IonicContact NE-OE1 3.61Å; R16-E355 PolarHBondContact NE-OE1 3.38Å; R16-E355 IonicContact NE-OE2 2.65Å; R16-E355 IonicContact NH2-OE1 3.84Å; R16-E355 IonicContact NH2-OE2 2.83Å; R16-E355 PolarHBondContact NH2-OE2 3.14Å; E355-S357 VanDerWaalsContact C-N 3.31Å; E355-S357 PolarHBondContact O-N 2.76Å
356R60.2Low62.9Low224 Ų224100.7 Ų100.785%0.84554%0.538SS*.  trans-69.798.6169.7-72-171.5-177.4-176.31.9106A354 L358A354-R356 PolarHBondContact O-N 3.03Å; R356-L358 PolarHBondContact O-N 2.75Å
357S48.2Very low59.9Low97 Ų97105.4 Ų105.468%0.67858%0.577SS**  trans-50116.8173.4630000107.9E355 A359E355-S357 VanDerWaalsContact C-N 3.31Å; E355-S357 PolarHBondContact O-N 2.76Å; S357-A359 PolarHBondContact O-N 2.78Å
358L47.2Very low57Low170 Ų170109.9 Ų109.989%0.8961%0.608SS**  trans-56104.1152.7-86.3136.9000103.7R356 R360R356-L358 PolarHBondContact O-N 2.75Å; L358-R360 PolarHBondContact O-N 3.3Å
359A33.5Very low54.3Low80 Ų80115.4 Ų115.466%0.66165%0.647SS**  trans-43.8120.8175.700000105.9S357 K361S357-A359 PolarHBondContact O-N 2.78Å; A359-K361 VanDerWaalsContact C-N 3.27Å; A359-K361 PolarHBondContact O-N 2.9Å
360R35.4Very low51.5Low233 Ų233121 Ų12188%0.87968%0.682SS**  trans-41.5106.6163.5-106.8176160.2176.9-3.9103.9L358 T362L358-R360 PolarHBondContact O-N 3.3Å; R360-T362 PolarHBondContact O-N 3.38Å
361K34.8Very low48.8Very low205 Ų205127.6 Ų127.689%0.89171%0.713SS**  trans-61.192.1159.6-90.6-178.1176.4175.30101.8A359 S363A359-K361 VanDerWaalsContact C-N 3.27Å; A359-K361 PolarHBondContact O-N 2.9Å; K361-S363 PolarHBondContact O-N 3.06Å
362T29.9Very low46.4Very low117 Ų117135.5 Ų135.572%0.71874%0.744SS**  trans-43113.2165.728.10000104R360 L364R360-T362 PolarHBondContact O-N 3.38Å; T362-L364 VanDerWaalsContact C-N 3.31Å; T362-L364 PolarHBondContact O-N 2.77Å
363S33.3Very low44.2Very low108 Ų108144.4 Ų144.476%0.75576%0.759SS**  trans-49106.2172.241.10000105.9K361 K365K361-S363 PolarHBondContact O-N 3.06Å; S363-K365 VanDerWaalsContact C-N 3.25Å; S363-K365 PolarHBondContact O-N 3.41Å
364L32.2Very low41.7Very low161 Ų161150.2 Ų150.284%0.84379%0.791SS**  trans-58.2105163.6-83.6158.6000103.6T362 I366T362-L364 VanDerWaalsContact C-N 3.31Å; T362-L364 PolarHBondContact O-N 2.77Å; L364-I366 VanDerWaalsContact C-N 3.26Å; L364-I366 PolarHBondContact O-N 2.61Å
365K34.4Very low39.8Very low202 Ų202157.9 Ų157.988%0.87880%0.802SS**  trans-54.998.8169.6-78.2-178175.9178.60106.3S363 A367S363-K365 VanDerWaalsContact C-N 3.25Å; S363-K365 PolarHBondContact O-N 3.41Å; K365-A367 PolarHBondContact O-N 2.76Å
366I34Very low38.2Very low150 Ų150159.3 Ų159.377%0.76982%0.818SS**  trans-71.695.8159.6-63174000104.1L364 S368L364-I366 VanDerWaalsContact C-N 3.26Å; L364-I366 PolarHBondContact O-N 2.61Å; I366-S368 PolarHBondContact O-N 3.45Å
367A35.8Very low36.9Very low99 Ų99156.5 Ų156.582%0.81881%0.814SS**  trans-63.891.716200000106.9K365 S369K365-A367 PolarHBondContact O-N 2.76Å; A367-S369 PolarHBondContact O-N 2.93Å
368S36Very low36.1Very low94 Ų94157.7 Ų157.766%0.65782%0.822SS**  trans-82.4113.6171.8174.50000108.8I366 V370I366-S368 PolarHBondContact O-N 3.45Å; S368-V370 PolarHBondContact O-N 3.2Å; S368-V370 VanDerWaalsContact O-N 3.07Å
369S41.8Very low35.5Very low119 Ų119155.2 Ų155.283%0.83281%0.814SS**  trans-70.885.3-178.950.50000112.3A367A367-S369 PolarHBondContact O-N 2.93Å
370V37.6Very low35.6Very low123 Ų123156.7 Ų156.775%0.74582%0.819SS**  trans-129.357.5169.7-166.90000110.9S368S368-V370 PolarHBondContact O-N 3.2Å; S368-V370 VanDerWaalsContact O-N 3.07Å
371Q38.2Very low35.7Very low196 Ų196153 Ų15392%0.91682%0.817SS**  trans-146.962.3160.6-76-169.1-18.500110.4
372K38.9Very low35.7Very low203 Ų203149.9 Ų149.988%0.88381%0.809SS**SBendtrans-148.391.6158.1-98.2-174.7-177.5175.80108.5
373R40.6Very low35.9Very low246 Ų246150.3 Ų150.393%0.92882%0.818SS**  trans152.979.1146.1-86.5173.3176.6-173.70.3110.8
374V35.6Very low36.3Very low146 Ų146154.6 Ų154.689%0.88582%0.822SS**  trans-153.391.1139-174.60000107.3
375R38.5Very low36.7Very low245 Ų245156.5 Ų156.593%0.92582%0.824SS**  trans-170.561.6158.8-113.1-176.3-169.1-171.84.4111.3
376V35.4Very low36.9Very low127 Ų127160.2 Ų160.277%0.7784%0.84SS**  trans-153.396.8153.5-1720000108.7
377H33.2Very low37.1Very low165 Ų165160.8 Ų160.876%0.76484%0.844SS**  169.385.6129.8-95.2-45.9000109.3T379H377-T379 PolarHBondContact O-N 3.42Å
378S32.2Very low37.1Very low122 Ų122164 Ų16485%0.85385%0.845SS**  trans-74.998.5151.151.80000107
379T34.8Very low37.2Very low119 Ų119167.9 Ų167.973%0.7386%0.856SS**  trans-75.4122.5170.132.10000109.6H377H377-T379 PolarHBondContact O-N 3.42Å
380S35.2Very low36.9Very low110 Ų110170.8 Ų170.877%0.76986%0.857SS**  trans-61.8131166.955.20000111.4
381L36.8Very low36.9Very low156 Ų156173.8 Ų173.882%0.81786%0.864SS**  trans-143.597.2157.3-93.1160.6000110
382N35.1Very low36.8Very low139 Ų139172.3 Ų172.374%0.74386%0.86SS**  trans37.3115.4138.2-65.6-25.3000120.9
383S35.4Very low36.6Very low127 Ų127170.1 Ų170.189%0.88886%0.859SS**  trans-125.2117.7133.968.20000110.1
384K41.7Very low36.3Very low197 Ų197164.2 Ų164.286%0.85785%0.854SS**  trans-74.4149.4176.3-82.4176.8174.1174.80111.5
385K38.9Very low36.4Very low202 Ų202165.8 Ų165.888%0.87885%0.851SS**  trans-34.6134.4161.9-64.6172.9172.3179.40114.6
386K39.8Very low36.2Very low280 Ų280158.5 Ų158.5100%1.21784%0.844SS**  -158.80100.9-117-175.5-179.8-176.50110.5

Retrieved 386 of 386 residues in 91.8 ms (Link to these results)

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