A0A087X8M9_POEFO Loading...

ETS transcription factor ELK1

AlphaFold DB , UniProt , Accession A0A087X8M9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 504 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
1Y44.9Very low52.5Low241 Ų241143 Ų14395%0.94563%0.627SS**  0-71.40-76.9-80.7000113.1Y3 Y4 Y5Y1-Y3 PolarHBondContact O-N 3.38Å; Y1-Y4 WeakPolarHBondContact O-CA 3.43Å; Y1-Y4 VanDerWaalsContact O-CB 3.31Å; Y1-Y4 WeakPolarHBondContact O-CB 3.45Å; Y1-Y4 PolarHBondContact O-N 3.43Å; Y1-Y5 PolarHBondContact O-N 3.01Å
2Y46.1Very low54.5Low206 Ų206138.9 Ų138.981%0.80863%0.626SS**Hα-helixtrans-48.6-51.9-178.1-77.9-77.4000115.1Y4 Y5 D6Y2-Y4 PolarHBondContact O-N 3.27Å; Y2-Y5 PolarHBondContact O-N 3.14Å; Y2-D6 PolarHBondContact O-N 3.19Å; Y2-D6 VanDerWaalsContact O-N 3.11Å
3Y47.3Very low57.1Low214 Ų214135.1 Ų135.184%0.83963%0.625SS**Hα-helixtrans-58.1-12.6175.2-72.9-71000116.2Y1 K7Y1-Y3 PolarHBondContact O-N 3.38Å; Y3-K7 WeakPolarHBondContact O-CG 3.33Å
4Y47.2Very low59.7Low176 Ų176126.6 Ų126.669%0.6959%0.586SS**Hα-helixtrans-91.3-38.3175-154.2-88.8000111.4Y1 Y2 K7 V8Y1-Y4 WeakPolarHBondContact O-CA 3.43Å; Y1-Y4 VanDerWaalsContact O-CB 3.31Å; Y1-Y4 WeakPolarHBondContact O-CB 3.45Å; Y1-Y4 PolarHBondContact O-N 3.43Å; Y2-Y4 PolarHBondContact O-N 3.27Å; Y4-K7 WeakPolarHBondContact O-CB 3.22Å; Y4-K7 PolarHBondContact O-N 3.35Å; Y4-K7 VanDerWaalsContact O-N 3.13Å; Y4-V8 HydrophobicContact CD1-CG2 4.43Å; Y4-V8 HydrophobicContact CE1-CG2 4.43Å; Y4-V8 PolarHBondContact O-N 3.44Å
5Y51.9Low62Low160 Ų160121.7 Ų121.763%0.62757%0.569SS**Hα-helixtrans-64.3-41.6171.9-94-89.8000111.5Y1 Y2 K7 V8 T9Y1-Y5 PolarHBondContact O-N 3.01Å; Y2-Y5 PolarHBondContact O-N 3.14Å; Y5-K7 PolarHBondContact O-N 3.49Å; Y5-K7 VanDerWaalsContact O-N 3.09Å; Y5-V8 PolarHBondContact O-N 3.12Å; Y5-T9 PolarHBondContact O-N 3.17Å
6D50.8Low64.2Low98 Ų98114.3 Ų114.352%0.52454%0.535SS..Hα-helixtrans-67.8-5.2173.7-92.7-41.8000114.8Y2 T9Y2-D6 PolarHBondContact O-N 3.19Å; Y2-D6 VanDerWaalsContact O-N 3.11Å; D6-T9 VanDerWaalsContact CA-OG1 3.31Å; D6-T9 WeakPolarHBondContact CA-OG1 3.27Å; D6-T9 PolarHBondContact O-OG1 2.78Å; D6-T9 PolarHBondContact OD1-OG1 2.64Å
7K46.5Very low66Low165 Ų165112.6 Ų112.672%0.71752%0.522SS*.Hα-helixtrans-99.3-13.6171-81.6-77.8-175.3174.50113.6Y3 Y4 Y5 T9Y3-K7 WeakPolarHBondContact O-CG 3.33Å; Y4-K7 WeakPolarHBondContact O-CB 3.22Å; Y4-K7 PolarHBondContact O-N 3.35Å; Y4-K7 VanDerWaalsContact O-N 3.13Å; Y5-K7 PolarHBondContact O-N 3.49Å; Y5-K7 VanDerWaalsContact O-N 3.09Å; K7-T9 CarbonylContact C-O 3.18Å
8V50.9Low67.6Low75 Ų75110.7 Ų110.746%0.45551%0.513SS..Hα-helixtrans-101.7-27.9175.9178.40000111Y4 Y5 R57Y4-V8 HydrophobicContact CD1-CG2 4.43Å; Y4-V8 HydrophobicContact CE1-CG2 4.43Å; Y4-V8 PolarHBondContact O-N 3.44Å; Y5-V8 PolarHBondContact O-N 3.12Å; V8-R57 PolarHBondContact O-NH2 2.89Å
9T56.3Low69.1Low41 Ų41105.2 Ų105.225%0.25249%0.488SS..SBendtrans-63.1-178.5143.276.30000109.6Y5 D6 K7 D11Y5-T9 PolarHBondContact O-N 3.17Å; D6-T9 VanDerWaalsContact CA-OG1 3.31Å; D6-T9 WeakPolarHBondContact CA-OG1 3.27Å; D6-T9 PolarHBondContact O-OG1 2.78Å; D6-T9 PolarHBondContact OD1-OG1 2.64Å; K7-T9 CarbonylContact C-O 3.18Å; T9-D11 PolarHBondContact O-N 3.49Å
10L60.1Low70.4Confident135 Ų135100 Ų10071%0.70746%0.464SS*.SBendtrans58.9-29.5176.4-74.8173.2000120.1P12L10-P12 VanDerWaalsContact O-CD 3.28Å; L10-P12 WeakPolarHBondContact O-CD 3Å; L10-P12 VanDerWaalsContact O-N 3.12Å
11D75.6Confident71.5Confident62 Ų6297.7 Ų97.733%0.33246%0.455SS..  trans-56119.5-179.5170.537.5000110.8T9 S13 I14 R57T9-D11 PolarHBondContact O-N 3.49Å; D11-S13 VanDerWaalsContact C-N 3.29Å; D11-S13 VanDerWaalsContact OD1-CB 3.32Å; D11-S13 WeakPolarHBondContact OD1-CB 3.41Å; D11-S13 PolarHBondContact OD1-N 3.36Å; D11-S13 PolarHBondContact OD1-OG 2.84Å; D11-S13 WeakPolarHBondContact OD2-CB 2.79Å; D11-S13 PolarHBondContact OD2-N 3.28Å; D11-S13 PolarHBondContact OD2-OG 3.34Å; D11-I14 VanDerWaalsContact O-CG2 3.3Å; D11-I14 WeakPolarHBondContact O-CG2 3.41Å; D11-I14 PolarHBondContact OD2-N 3.22Å; D11-R57 VanDerWaalsContact N-NH2 3.15Å; D11-R57 PolarHBondContact O-NE 2.92Å; D11-R57 PolarHBondContact O-NH2 3.07Å; D11-R57 VanDerWaalsContact O-NH2 3.08Å
12P76.9Confident73.8Confident94 Ų9488 Ų8861%0.6142%0.418SS*.SBendtrans-79.7-7.5177.734-37000112.9L10 K58L10-P12 VanDerWaalsContact O-CD 3.28Å; L10-P12 WeakPolarHBondContact O-CD 3Å; L10-P12 VanDerWaalsContact O-N 3.12Å; P12-K58 PolarHBondContact O-NZ 3.02Å
13S87.8Confident76Confident89 Ų8978.5 Ų78.562%0.62238%0.381SS*.SBendtrans-72.2-30.9176.696.70000112.5D11D11-S13 VanDerWaalsContact C-N 3.29Å; D11-S13 VanDerWaalsContact OD1-CB 3.32Å; D11-S13 WeakPolarHBondContact OD1-CB 3.41Å; D11-S13 PolarHBondContact OD1-N 3.36Å; D11-S13 PolarHBondContact OD1-OG 2.84Å; D11-S13 WeakPolarHBondContact OD2-CB 2.79Å; D11-S13 PolarHBondContact OD2-N 3.28Å; D11-S13 PolarHBondContact OD2-OG 3.34Å
14I92.9Very high78.2Confident16 Ų1668.6 Ų68.68%0.08234%0.342CS..  trans-42.4136.8-175.7-161.7171.5000114.3D11 Q18 F19 W54 R57 K58D11-I14 VanDerWaalsContact O-CG2 3.3Å; D11-I14 WeakPolarHBondContact O-CG2 3.41Å; D11-I14 PolarHBondContact OD2-N 3.22Å; I14-Q18 HydrophobicContact CD1-CB 4.18Å; I14-Q18 HydrophobicContact CG1-CB 3.73Å; I14-F19 HydrophobicContact CD1-CB 4.17Å; I14-F19 HydrophobicContact CG1-CB 4.45Å; I14-W54 HydrophobicContact CG2-CZ3 4.29Å; I14-R57 HydrophobicContact CG2-CG 3.88Å; I14-K58 PolarHBondContact O-NZ 3.28Å
15T95.3Very high80.3Confident53 Ų5365.8 Ų65.833%0.32534%0.336SS..  trans-91.7161.7176.769.10000111.9W17 Q18 F19T15-W17 VanDerWaalsContact C-N 3.32Å; T15-W17 PolarHBondContact O-N 3.26Å; T15-W17 PolarHBondContact OG1-NE1 2.96Å; T15-W17 VanDerWaalsContact OG1-NE1 3.1Å; T15-Q18 PolarHBondContact O-N 2.93Å; T15-Q18 PolarHBondContact OG1-OE1 3.34Å; T15-F19 WeakPolarHBondContact O-CB 3.35Å; T15-F19 PolarHBondContact O-N 2.8Å
16L96.1Very high82Confident4 Ų460.9 Ų60.92%0.02132%0.32CS..Hα-helixtrans-60.3-39.4-176.7175.563.4000112.6F19 L20 W54 L68 A71 L72 Y75L16-F19 HydrophobicContact CD1-CD1 4.12Å; L16-F19 PolarHBondContact O-N 2.84Å; L16-L20 HydrophobicContact CD1-CD1 3.93Å; L16-L20 HydrophobicContact CD1-CD2 4.37Å; L16-L20 HydrophobicContact CD1-CG 3.9Å; L16-L20 HydrophobicContact CG-CD1 3.88Å; L16-L20 HydrophobicContact CG-CG 4.3Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.04Å; L16-W54 HydrophobicContact CB-CH2 4.06Å; L16-W54 HydrophobicContact CB-CZ2 3.83Å; L16-W54 HydrophobicContact CD1-CD2 3.77Å; L16-W54 HydrophobicContact CD1-CE3 4.2Å; L16-W54 HydrophobicContact CD1-CG 3.93Å; L16-W54 HydrophobicContact CD1-CZ2 4.46Å; L16-L68 HydrophobicContact CD1-CD1 3.89Å; L16-L68 HydrophobicContact CD1-CD2 4.38Å; L16-L68 HydrophobicContact CD1-CG 3.87Å; L16-L68 HydrophobicContact CD2-CD2 4.19Å; L16-L68 HydrophobicContact CD2-CG 3.93Å; L16-A71 HydrophobicContact CD2-CB 3.61Å; L16-L72 HydrophobicContact CD2-CD2 4.13Å; L16-L72 HydrophobicContact CD2-CG 4.27Å; L16-Y75 HydrophobicContact CB-CE2 4.07Å; L16-Y75 HydrophobicContact CD2-CE2 4.21Å; L16-Y75 HydrophobicContact CG-CE2 4.29Å
17W95.5Very high83.5Confident86 Ų8661.3 Ų61.333%0.32632%0.319SS..Hα-helixtrans-67.8-38.4-17972.9-97.9000112.3T15 L21 Y75 I80 I81 F93T15-W17 VanDerWaalsContact C-N 3.32Å; T15-W17 PolarHBondContact O-N 3.26Å; T15-W17 PolarHBondContact OG1-NE1 2.96Å; T15-W17 VanDerWaalsContact OG1-NE1 3.1Å; W17-L21 WeakPolarHBondContact O-CB 3.48Å; W17-L21 PolarHBondContact O-N 3.27Å; W17-Y75 HydrophobicContact CB-CD2 4.46Å; W17-Y75 HydrophobicContact CB-CE2 3.94Å; W17-Y75 AromaticContact CD1-CZ 3.87Å; W17-I80 HydrophobicContact CB-CG2 3.82Å; W17-I80 HydrophobicContact CD2-CG2 4.1Å; W17-I80 HydrophobicContact CG-CG2 3.7Å; W17-I81 HydrophobicContact CB-CD1 3.95Å; W17-F93 HydrophobicContact CB-CE1 4.2Å; W17-F93 HydrophobicContact CE3-CE1 4.4Å
18Q94.9Very high85.4Confident77 Ų7763.2 Ų63.236%0.3632%0.322SS..Hα-helixtrans-66.4-41.1173.3-68.4162.9-48.400111.6I14 T15 L21 H22I14-Q18 HydrophobicContact CD1-CB 4.18Å; I14-Q18 HydrophobicContact CG1-CB 3.73Å; T15-Q18 PolarHBondContact O-N 2.93Å; T15-Q18 PolarHBondContact OG1-OE1 3.34Å; Q18-L21 PolarHBondContact O-N 3.45Å; Q18-H22 WeakPolarHBondContact O-CB 3.5Å; Q18-H22 PolarHBondContact O-N 3.3Å
19F95.2Very high87.1Confident7 Ų761.7 Ų61.73%0.03131%0.31CS..Hα-helixtrans-61.6-46.7176.1168-92.2000111.8I14 T15 L16 L21 H22 L23 V50 L53 W54 R57I14-F19 HydrophobicContact CD1-CB 4.17Å; I14-F19 HydrophobicContact CG1-CB 4.45Å; T15-F19 WeakPolarHBondContact O-CB 3.35Å; T15-F19 PolarHBondContact O-N 2.8Å; L16-F19 HydrophobicContact CD1-CD1 4.12Å; L16-F19 PolarHBondContact O-N 2.84Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-L21 PolarHBondContact O-N 2.83Å; F19-H22 PolarHBondContact O-N 2.66Å; F19-L23 HydrophobicContact CD1-CD1 4.24Å; F19-L23 HydrophobicContact CD1-CD2 4.48Å; F19-L23 HydrophobicContact CD2-CD1 3.84Å; F19-L23 HydrophobicContact CE1-CD1 3.89Å; F19-L23 HydrophobicContact CE1-CD2 3.66Å; F19-L23 HydrophobicContact CE1-CG 4.43Å; F19-L23 HydrophobicContact CE2-CD1 3.47Å; F19-L23 VanDerWaalsContact CE2-CD1 3.47Å; F19-L23 HydrophobicContact CG-CD1 4.21Å; F19-L23 HydrophobicContact CZ-CD1 3.48Å; F19-L23 VanDerWaalsContact CZ-CD1 3.48Å; F19-L23 HydrophobicContact CZ-CD2 3.67Å; F19-L23 HydrophobicContact CZ-CG 4.24Å; F19-L23 VanDerWaalsContact O-CD1 3.3Å; F19-L23 WeakPolarHBondContact O-CD1 3.42Å; F19-L23 PolarHBondContact O-N 2.92Å; F19-V50 HydrophobicContact CE1-CG1 4.45Å; F19-L53 HydrophobicContact CZ-CB 3.82Å; F19-W54 HydrophobicContact CB-CE3 3.82Å; F19-W54 HydrophobicContact CB-CZ3 3.71Å; F19-W54 HydrophobicContact CD1-CB 4.23Å; F19-W54 HydrophobicContact CD1-CD2 4.31Å; F19-W54 AromaticContact CD1-CE3 3.67Å; F19-W54 HydrophobicContact CD1-CE3 3.67Å; F19-W54 HydrophobicContact CD1-CZ3 4.42Å; F19-W54 AromaticContact CD2-CE3 3.89Å; F19-W54 HydrophobicContact CD2-CE3 3.89Å; F19-W54 HydrophobicContact CD2-CZ3 4.36Å; F19-W54 HydrophobicContact CE1-CB 3.66Å; F19-W54 HydrophobicContact CE1-CE3 4.19Å; F19-W54 HydrophobicContact CE1-CG 4.44Å; F19-W54 HydrophobicContact CE2-CE3 4.37Å; F19-W54 AromaticContact CG-CE3 3.5Å; F19-W54 HydrophobicContact CG-CE3 3.5Å; F19-W54 AromaticContact CG-CZ3 3.93Å; F19-W54 HydrophobicContact CG-CZ3 3.93Å; F19-W54 HydrophobicContact CZ-CB 3.94Å; F19-W54 VanDerWaalsContact CZ-N 3.3Å; F19-R57 HydrophobicContact CD2-CB 4.23Å; F19-R57 HydrophobicContact CD2-CG 4.07Å; F19-R57 HydrophobicContact CE2-CB 4Å; F19-R57 HydrophobicContact CE2-CG 4.31Å
20L95.8Very high88.6Confident0 Ų066.4 Ų66.40%032%0.323CS..Hα-helixtrans-64.5-37.5177.7-68.3169.8000112.1L16 L23 L24 I33 F42 V50 L72 I81 F93L16-L20 HydrophobicContact CD1-CD1 3.93Å; L16-L20 HydrophobicContact CD1-CD2 4.37Å; L16-L20 HydrophobicContact CD1-CG 3.9Å; L16-L20 HydrophobicContact CG-CD1 3.88Å; L16-L20 HydrophobicContact CG-CG 4.3Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.04Å; L20-L23 PolarHBondContact O-N 2.85Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 WeakPolarHBondContact O-CD1 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.82Å; L20-L24 VanDerWaalsContact O-N 3.12Å; L20-I33 HydrophobicContact CB-CD1 4.4Å; L20-I33 HydrophobicContact CD2-CD1 3.73Å; L20-F42 HydrophobicContact CD1-CE2 4.48Å; L20-F42 HydrophobicContact CD1-CZ 4.49Å; L20-V50 HydrophobicContact CD2-CG1 3.53Å; L20-L72 HydrophobicContact CD1-CD2 3.69Å; L20-I81 HydrophobicContact CD1-CD1 4.44Å; L20-F93 HydrophobicContact CB-CZ 4.44Å
21L93.6Very high90.1Very high53 Ų5366 Ų6628%0.27732%0.317SS..Hα-helixtrans-62.8-43.1173.8-174.363.4000111.6W17 Q18 F19 L24 E25 W35 F93W17-L21 WeakPolarHBondContact O-CB 3.48Å; W17-L21 PolarHBondContact O-N 3.27Å; Q18-L21 PolarHBondContact O-N 3.45Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-L21 PolarHBondContact O-N 2.83Å; L21-L24 CarbonylContact O-C 3.57Å; L21-L24 WeakPolarHBondContact O-CA 3.39Å; L21-L24 WeakPolarHBondContact O-CB 3.4Å; L21-L24 PolarHBondContact O-N 2.8Å; L21-L24 VanDerWaalsContact O-N 3.07Å; L21-E25 WeakPolarHBondContact O-CG 3.22Å; L21-E25 PolarHBondContact O-N 2.96Å; L21-W35 HydrophobicContact CD1-CH2 3.91Å; L21-W35 HydrophobicContact CD1-CZ2 3.82Å; L21-F93 HydrophobicContact CB-CZ 4.13Å
22H92.3Very high91Very high38 Ų3863.5 Ų63.518%0.17630%0.304CS..Hα-helixtrans-65.4-39.1177.5-172.156.4000113.2Q18 F19 L24 E25 D26Q18-H22 WeakPolarHBondContact O-CB 3.5Å; Q18-H22 PolarHBondContact O-N 3.3Å; F19-H22 PolarHBondContact O-N 2.66Å; H22-L24 PolarHBondContact O-N 2.71Å; H22-E25 IonicContact ND1-OE2 2.93Å; H22-E25 PolarHBondContact ND1-OE2 2.91Å; H22-E25 PolarHBondContact O-N 3.07Å; H22-D26 PolarHBondContact O-N 2.92Å
23L93.3Very high91.9Very high5 Ų559.1 Ų59.13%0.02628%0.275CS..Hα-helixtrans-64.8-25.8171.7-91.662.4000112.6F19 L20 I33 V50 L53F19-L23 HydrophobicContact CD1-CD1 4.24Å; F19-L23 HydrophobicContact CD1-CD2 4.48Å; F19-L23 HydrophobicContact CD2-CD1 3.84Å; F19-L23 HydrophobicContact CE1-CD1 3.89Å; F19-L23 HydrophobicContact CE1-CD2 3.66Å; F19-L23 HydrophobicContact CE1-CG 4.43Å; F19-L23 HydrophobicContact CE2-CD1 3.47Å; F19-L23 VanDerWaalsContact CE2-CD1 3.47Å; F19-L23 HydrophobicContact CG-CD1 4.21Å; F19-L23 HydrophobicContact CZ-CD1 3.48Å; F19-L23 VanDerWaalsContact CZ-CD1 3.48Å; F19-L23 HydrophobicContact CZ-CD2 3.67Å; F19-L23 HydrophobicContact CZ-CG 4.24Å; F19-L23 VanDerWaalsContact O-CD1 3.3Å; F19-L23 WeakPolarHBondContact O-CD1 3.42Å; F19-L23 PolarHBondContact O-N 2.92Å; L20-L23 PolarHBondContact O-N 2.85Å; L23-I33 HydrophobicContact CB-CG2 3.67Å; L23-I33 HydrophobicContact CD2-CG2 4.38Å; L23-V50 HydrophobicContact CD2-CG1 4.18Å; L23-V50 HydrophobicContact CD2-CG2 4.28Å; L23-L53 HydrophobicContact CD2-CD1 4.32Å
24L93.1Very high92.3Very high6 Ų656.2 Ų56.23%0.03126%0.255CS..Hα-helixtrans-83.6-18.4176.4-81.6164000113.5L20 L21 H22 I33 W35 F42 F93L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 WeakPolarHBondContact O-CD1 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.82Å; L20-L24 VanDerWaalsContact O-N 3.12Å; L21-L24 CarbonylContact O-C 3.57Å; L21-L24 WeakPolarHBondContact O-CA 3.39Å; L21-L24 WeakPolarHBondContact O-CB 3.4Å; L21-L24 PolarHBondContact O-N 2.8Å; L21-L24 VanDerWaalsContact O-N 3.07Å; H22-L24 PolarHBondContact O-N 2.71Å; L24-I33 HydrophobicContact CD1-CD1 4.17Å; L24-I33 HydrophobicContact CD1-CG1 4.46Å; L24-I33 HydrophobicContact CD2-CG1 3.96Å; L24-I33 HydrophobicContact CD2-CG2 4.33Å; L24-I33 HydrophobicContact CG-CD1 4.08Å; L24-I33 HydrophobicContact CG-CG1 4.07Å; L24-I33 HydrophobicContact CG-CG2 4.21Å; L24-W35 HydrophobicContact CB-CZ2 3.76Å; L24-W35 HydrophobicContact CD1-CD2 4.41Å; L24-W35 HydrophobicContact CD1-CE3 4.42Å; L24-W35 HydrophobicContact CD1-CH2 3.87Å; L24-W35 HydrophobicContact CD1-CZ2 3.85Å; L24-W35 HydrophobicContact CD1-CZ3 4.14Å; L24-W35 HydrophobicContact CD2-CD2 4.06Å; L24-W35 HydrophobicContact CD2-CG 4.14Å; L24-W35 HydrophobicContact CG-CZ2 4.28Å; L24-W35 PolarHBondContact O-NE1 3.34Å; L24-F42 HydrophobicContact CD1-CB 3.62Å; L24-F42 HydrophobicContact CD1-CD1 4.29Å; L24-F42 HydrophobicContact CD1-CD2 3.95Å; L24-F42 HydrophobicContact CD1-CG 3.71Å; L24-F42 HydrophobicContact CD2-CB 3.99Å; L24-F42 HydrophobicContact CG-CB 4.46Å; L24-F93 HydrophobicContact CD1-CE2 3.95Å
25E91.2Very high92.4Very high117 Ų11760.5 Ų60.555%0.54727%0.27SS..Hα-helixtrans-79-41.9170-70.3165.717800111.3L21 H22 Q27L21-E25 WeakPolarHBondContact O-CG 3.22Å; L21-E25 PolarHBondContact O-N 2.96Å; H22-E25 IonicContact ND1-OE2 2.93Å; H22-E25 PolarHBondContact ND1-OE2 2.91Å; H22-E25 PolarHBondContact O-N 3.07Å; E25-Q27 PolarHBondContact O-N 3.37Å; E25-Q27 PolarHBondContact O-NE2 2.91Å
26D88.6Confident92.2Very high57 Ų5761 Ų6131%0.30527%0.273SS..  trans-69.1106.8179.5-171.9-1.3000112H22 R28 Q29H22-D26 PolarHBondContact O-N 2.92Å; D26-R28 PolarHBondContact O-N 3.46Å; D26-R28 VanDerWaalsContact OD1-CB 3.25Å; D26-R28 WeakPolarHBondContact OD1-CB 3.2Å; D26-R28 VanDerWaalsContact OD1-CG 3.27Å; D26-R28 WeakPolarHBondContact OD1-CG 3.22Å; D26-R28 PolarHBondContact OD1-N 3.33Å; D26-Q29 HydrophobicContact CB-CB 4.45Å; D26-Q29 HydrophobicContact CB-CG 4.24Å; D26-Q29 PolarHBondContact O-N 2.96Å
27Q82.1Confident91.3Very high108 Ų10864.4 Ų64.451%0.50531%0.31SS..G310 helixtrans-53.9-28.3176.9-54-57.5-74.100112.9E25 R30E25-Q27 PolarHBondContact O-N 3.37Å; E25-Q27 PolarHBondContact O-NE2 2.91Å; Q27-R30 WeakPolarHBondContact O-CB 3.35Å; Q27-R30 WeakPolarHBondContact O-CG 3.29Å
28R86.1Confident90.3Very high204 Ų20465.4 Ų65.477%0.7732%0.318SS*.G310 helixtrans-72.6-28.6-179.7-55.4171.971.3-158.92.9112.2D26 H31D26-R28 PolarHBondContact O-N 3.46Å; D26-R28 VanDerWaalsContact OD1-CB 3.25Å; D26-R28 WeakPolarHBondContact OD1-CB 3.2Å; D26-R28 VanDerWaalsContact OD1-CG 3.27Å; D26-R28 WeakPolarHBondContact OD1-CG 3.22Å; D26-R28 PolarHBondContact OD1-N 3.33Å; R28-H31 PolarHBondContact O-CE1 3.37Å; R28-H31 PolarHBondContact O-ND1 3.12Å
29Q85.8Confident89.8Confident44 Ų4468.1 Ų68.121%0.20634%0.335CS..G310 helixtrans-93.25.3-176.2-58.4-165.4-60.100113.4D26 H31 L32 I33D26-Q29 HydrophobicContact CB-CB 4.45Å; D26-Q29 HydrophobicContact CB-CG 4.24Å; D26-Q29 PolarHBondContact O-N 2.96Å; Q29-H31 PolarHBondContact O-N 3.44Å; Q29-L32 HydrophobicContact CB-CD1 4.4Å; Q29-L32 WeakPolarHBondContact O-CB 3.36Å; Q29-L32 PolarHBondContact O-N 2.94Å; Q29-I33 PolarHBondContact O-N 3.49Å
30R88.8Confident89.5Confident139 Ų13968.7 Ų68.753%0.52534%0.343SS..THydrogen-bonded Turntrans-54.4-20.5176.2-81-179.9162.4-173-5.5116.1Q27 L32 I33 L45Q27-R30 WeakPolarHBondContact O-CB 3.35Å; Q27-R30 WeakPolarHBondContact O-CG 3.29Å; R30-L32 VanDerWaalsContact C-N 3.3Å; R30-I33 WeakPolarHBondContact CA-O 3.43Å; R30-L45 WeakPolarHBondContact O-CD1 3.23Å
31H91.8Very high89.5Confident127 Ų12769 Ų6959%0.58835%0.345SS*.THydrogen-bonded Turntrans-78.6-15.3175.162.9-82.9000113R28 Q29 L45R28-H31 PolarHBondContact O-CE1 3.37Å; R28-H31 PolarHBondContact O-ND1 3.12Å; Q29-H31 PolarHBondContact O-N 3.44Å; H31-L45 WeakPolarHBondContact O-CB 3.35Å
32L94.1Very high89.6Confident10 Ų1066.5 Ų66.55%0.05233%0.331CS..THydrogen-bonded Turntrans-99.5-42.3178.7-51.4179.5000111.2Q29 R30 L44 L45 D46 E49 V50 L53Q29-L32 HydrophobicContact CB-CD1 4.4Å; Q29-L32 WeakPolarHBondContact O-CB 3.36Å; Q29-L32 PolarHBondContact O-N 2.94Å; R30-L32 VanDerWaalsContact C-N 3.3Å; L32-L44 CarbonylContact O-C 3.6Å; L32-L45 PolarHBondContact O-N 2.92Å; L32-D46 HydrophobicContact CD2-CB 4.04Å; L32-D46 PolarHBondContact O-N 3.02Å; L32-D46 VanDerWaalsContact O-N 3.07Å; L32-E49 HydrophobicContact CD1-CG 3.91Å; L32-E49 HydrophobicContact CD2-CB 3.94Å; L32-E49 HydrophobicContact CD2-CG 3.55Å; L32-E49 HydrophobicContact CG-CG 4.36Å; L32-V50 HydrophobicContact CB-CG2 3.91Å; L32-L53 HydrophobicContact CD1-CD1 3.5Å; L32-L53 VanDerWaalsContact CD1-CD1 3.5Å
33I96Very high89.8Confident1 Ų168.3 Ų68.31%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-150.6136.9-178.6-165.7176.7000110.1L20 L23 L24 Q29 R30 F42 K43 L44 V50L20-I33 HydrophobicContact CB-CD1 4.4Å; L20-I33 HydrophobicContact CD2-CD1 3.73Å; L23-I33 HydrophobicContact CB-CG2 3.67Å; L23-I33 HydrophobicContact CD2-CG2 4.38Å; L24-I33 HydrophobicContact CD1-CD1 4.17Å; L24-I33 HydrophobicContact CD1-CG1 4.46Å; L24-I33 HydrophobicContact CD2-CG1 3.96Å; L24-I33 HydrophobicContact CD2-CG2 4.33Å; L24-I33 HydrophobicContact CG-CD1 4.08Å; L24-I33 HydrophobicContact CG-CG1 4.07Å; L24-I33 HydrophobicContact CG-CG2 4.21Å; Q29-I33 PolarHBondContact O-N 3.49Å; R30-I33 WeakPolarHBondContact CA-O 3.43Å; I33-F42 HydrophobicContact CD1-CD2 3.74Å; I33-F42 HydrophobicContact CD1-CE2 3.98Å; I33-F42 HydrophobicContact CG1-CD2 4.03Å; I33-K43 CarbonylContact C-O 3.56Å; I33-K43 VanDerWaalsContact CA-O 3.29Å; I33-K43 WeakPolarHBondContact CA-O 3.37Å; I33-K43 WeakPolarHBondContact CG1-O 3.47Å; I33-L44 HydrophobicContact CD1-CD1 4.18Å; I33-L44 HydrophobicContact CD1-CG 4.04Å; I33-L44 HydrophobicContact CG1-CD1 4.45Å; I33-L44 HydrophobicContact CG1-CG 4.16Å; I33-V50 HydrophobicContact CB-CG2 4.1Å
34S95Very high90Very high29 Ų2968.1 Ų68.120%0.20334%0.338CS..EExtended strand (participates in β ladder)trans-144.8151.6-175.860.50000112.9F42 K43S34-F42 CarbonylContact O-C 3.59Å; S34-F42 VanDerWaalsContact O-CA 3.23Å; S34-F42 WeakPolarHBondContact O-CA 3.45Å; S34-K43 PolarHBondContact N-O 3.43Å; S34-K43 PolarHBondContact O-N 2.95Å
35W95.3Very high90.2Very high105 Ų10572.1 Ų72.140%0.39836%0.359SS..EExtended strand (participates in β ladder)trans-67.2139.3166-60.8108.2000109.7L21 L24 E41 F42 F93L21-W35 HydrophobicContact CD1-CH2 3.91Å; L21-W35 HydrophobicContact CD1-CZ2 3.82Å; L24-W35 HydrophobicContact CB-CZ2 3.76Å; L24-W35 HydrophobicContact CD1-CD2 4.41Å; L24-W35 HydrophobicContact CD1-CE3 4.42Å; L24-W35 HydrophobicContact CD1-CH2 3.87Å; L24-W35 HydrophobicContact CD1-CZ2 3.85Å; L24-W35 HydrophobicContact CD1-CZ3 4.14Å; L24-W35 HydrophobicContact CD2-CD2 4.06Å; L24-W35 HydrophobicContact CD2-CG 4.14Å; L24-W35 HydrophobicContact CG-CZ2 4.28Å; L24-W35 PolarHBondContact O-NE1 3.34Å; W35-E41 WeakPolarHBondContact CA-O 3.17Å; W35-F42 HydrophobicContact CE3-CB 3.93Å; W35-F42 HydrophobicContact CZ3-CB 4.14Å; W35-F42 HydrophobicContact CZ3-CD1 4.45Å; W35-F93 AromaticContact CH2-CD2 3.81Å; W35-F93 HydrophobicContact CH2-CD2 3.81Å; W35-F93 HydrophobicContact CH2-CE2 4.09Å; W35-F93 AromaticContact CZ3-CD2 3.9Å; W35-F93 HydrophobicContact CZ3-CD2 3.9Å; W35-F93 HydrophobicContact CZ3-CE2 4.44Å
36T91.1Very high90.5Very high63 Ų6369.8 Ų69.839%0.38735%0.35SS..  trans-94.3-11.5-178-540000112.4E41T36-E41 WeakPolarHBondContact CG2-OE1 3.44Å; T36-E41 PolarHBondContact N-O 3.03Å
37G78.3Confident90.9Very high77 Ų7767.5 Ų67.579%0.79434%0.339SS*.SBendtrans107.6-19.6172.600000114.6
38E73.4Confident91.6Very high107 Ų10766.9 Ų66.950%0.534%0.336SS..SBendtrans-80.5149167.4-161.3-175.4121.500110.3G40 E41 K92E38-G40 PolarHBondContact O-N 3.25Å; E38-E41 HydrophobicContact CB-CB 3.93Å; E38-E41 PolarHBondContact O-N 3.33Å; E38-K92 IonicContact OE1-NZ 2.64Å; E38-K92 PolarHBondContact OE1-NZ 3.23Å
39D84.3Confident92.1Very high133 Ų13359.5 Ų59.571%0.71131%0.31SS*.THydrogen-bonded Turntrans-53.8101.7-169.6-66.9-69.9000114.4E41 K92D39-E41 VanDerWaalsContact C-N 3.29Å; D39-E41 PolarHBondContact O-N 2.99Å; D39-K92 WeakPolarHBondContact O-CE 3.33Å
40G89.9Confident92.6Very high19 Ų1957.4 Ų57.420%0.19630%0.3CS..THydrogen-bonded Turntrans76.46.8-177.600000115.1E38 K92 F93E38-G40 PolarHBondContact O-N 3.25Å; G40-K92 CarbonylContact O-C 3.22Å; G40-K92 WeakPolarHBondContact O-CA 3.09Å; G40-F93 PolarHBondContact O-N 3.1Å
41E95.9Very high93.1Very high8 Ų850.8 Ų50.84%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-78.8126.7172.7-174.4169.3116.800111.3W35 T36 E38 D39 V84 Q87 V90 Y91 K92W35-E41 WeakPolarHBondContact CA-O 3.17Å; T36-E41 WeakPolarHBondContact CG2-OE1 3.44Å; T36-E41 PolarHBondContact N-O 3.03Å; E38-E41 HydrophobicContact CB-CB 3.93Å; E38-E41 PolarHBondContact O-N 3.33Å; D39-E41 VanDerWaalsContact C-N 3.29Å; D39-E41 PolarHBondContact O-N 2.99Å; E41-V84 HydrophobicContact CG-CG2 4.3Å; E41-V84 WeakPolarHBondContact OE2-CG2 3.45Å; E41-Q87 PolarHBondContact OE1-NE2 2.8Å; E41-V90 HydrophobicContact CG-CG1 3.39Å; E41-V90 VanDerWaalsContact OE1-CG1 3.27Å; E41-V90 WeakPolarHBondContact OE1-CG1 3.35Å; E41-Y91 WeakPolarHBondContact CA-O 3.48Å; E41-K92 HydrophobicContact CB-CG 4.32Å
42F96.2Very high93.3Very high0 Ų050.9 Ų50.90%027%0.271CS..EExtended strand (participates in β ladder)trans-133153.417970.4-85.3000112.1L20 L24 I33 S34 W35 L44 I81 V90 Y91 F93L20-F42 HydrophobicContact CD1-CE2 4.48Å; L20-F42 HydrophobicContact CD1-CZ 4.49Å; L24-F42 HydrophobicContact CD1-CB 3.62Å; L24-F42 HydrophobicContact CD1-CD1 4.29Å; L24-F42 HydrophobicContact CD1-CD2 3.95Å; L24-F42 HydrophobicContact CD1-CG 3.71Å; L24-F42 HydrophobicContact CD2-CB 3.99Å; L24-F42 HydrophobicContact CG-CB 4.46Å; I33-F42 HydrophobicContact CD1-CD2 3.74Å; I33-F42 HydrophobicContact CD1-CE2 3.98Å; I33-F42 HydrophobicContact CG1-CD2 4.03Å; S34-F42 CarbonylContact O-C 3.59Å; S34-F42 VanDerWaalsContact O-CA 3.23Å; S34-F42 WeakPolarHBondContact O-CA 3.45Å; W35-F42 HydrophobicContact CE3-CB 3.93Å; W35-F42 HydrophobicContact CZ3-CB 4.14Å; W35-F42 HydrophobicContact CZ3-CD1 4.45Å; F42-L44 HydrophobicContact CD2-CD1 4.08Å; F42-L44 HydrophobicContact CE2-CD1 3.76Å; F42-I81 HydrophobicContact CE1-CD1 4.45Å; F42-I81 HydrophobicContact CE1-CG1 4.35Å; F42-I81 HydrophobicContact CE1-CG2 4.21Å; F42-I81 HydrophobicContact CZ-CD1 4.13Å; F42-I81 HydrophobicContact CZ-CG1 4.48Å; F42-I81 HydrophobicContact CZ-CG2 4.22Å; F42-V90 CarbonylContact O-C 3.5Å; F42-V90 WeakPolarHBondContact O-CA 3.48Å; F42-Y91 VanDerWaalsContact CD1-O 3.22Å; F42-Y91 WeakPolarHBondContact CD1-O 3.44Å; F42-Y91 VanDerWaalsContact CZ-CB 3.47Å; F42-Y91 HydrophobicContact CZ-CG 4.32Å; F42-Y91 PolarHBondContact N-O 2.84Å; F42-Y91 PolarHBondContact O-N 3.19Å; F42-F93 AromaticContact CD1-CD2 3.41Å; F42-F93 HydrophobicContact CD1-CD2 3.41Å; F42-F93 VanDerWaalsContact CD1-CD2 3.41Å; F42-F93 AromaticContact CD1-CE2 3.58Å; F42-F93 HydrophobicContact CD1-CE2 3.58Å; F42-F93 HydrophobicContact CD1-CG 4.47Å; F42-F93 AromaticContact CE1-CD2 3.33Å; F42-F93 HydrophobicContact CE1-CD2 3.33Å; F42-F93 AromaticContact CE1-CE2 3.34Å; F42-F93 HydrophobicContact CE1-CE2 3.34Å; F42-F93 HydrophobicContact CE1-CG 4.13Å; F42-F93 HydrophobicContact CE1-CZ 4.16Å; F42-F93 HydrophobicContact CG-CD2 4.47Å; F42-F93 HydrophobicContact CG-CE2 4.34Å; F42-F93 HydrophobicContact CZ-CD2 4.33Å; F42-F93 AromaticContact CZ-CE2 3.93Å; F42-F93 HydrophobicContact CZ-CE2 3.93Å; F42-F93 HydrophobicContact CZ-CZ 4.45Å
43K96.6Very high93.3Very high75 Ų7551.7 Ų51.733%0.32628%0.275SS..EExtended strand (participates in β ladder)trans-125.4128-178-173.2168.6-173.4173.40109.7I33 S34 L45 V90I33-K43 CarbonylContact C-O 3.56Å; I33-K43 VanDerWaalsContact CA-O 3.29Å; I33-K43 WeakPolarHBondContact CA-O 3.37Å; I33-K43 WeakPolarHBondContact CG1-O 3.47Å; S34-K43 PolarHBondContact N-O 3.43Å; S34-K43 PolarHBondContact O-N 2.95Å; K43-L45 HydrophobicContact CD-CD2 3.91Å; K43-L45 HydrophobicContact CG-CD2 4.01Å; K43-L45 PolarHBondContact O-N 2.86Å; K43-V90 HydrophobicContact CB-CG2 3.9Å; K43-V90 HydrophobicContact CD-CG2 3.71Å; K43-V90 HydrophobicContact CG-CG2 3.63Å
44L97.1Very high93.3Very high1 Ų152.8 Ų52.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-76.7116.8161.8-6574.4000106.6L32 I33 F42 A47 V50 Y65 L68 F89 Y91L32-L44 CarbonylContact O-C 3.6Å; I33-L44 HydrophobicContact CD1-CD1 4.18Å; I33-L44 HydrophobicContact CD1-CG 4.04Å; I33-L44 HydrophobicContact CG1-CD1 4.45Å; I33-L44 HydrophobicContact CG1-CG 4.16Å; F42-L44 HydrophobicContact CD2-CD1 4.08Å; F42-L44 HydrophobicContact CE2-CD1 3.76Å; L44-A47 HydrophobicContact CB-CB 4.2Å; L44-A47 HydrophobicContact CD2-CB 4.34Å; L44-V50 HydrophobicContact CD2-CB 4.04Å; L44-V50 HydrophobicContact CD2-CG1 3.8Å; L44-V50 HydrophobicContact CD2-CG2 4.4Å; L44-V50 HydrophobicContact CG-CG1 4.43Å; L44-V50 HydrophobicContact CG-CG2 4.48Å; L44-Y65 HydrophobicContact CD2-CD2 4.43Å; L44-Y65 HydrophobicContact CD2-CE2 4.24Å; L44-L68 HydrophobicContact CD2-CD2 4.45Å; L44-F89 HydrophobicContact CB-CB 4.25Å; L44-F89 PolarHBondContact N-O 3.35Å; L44-F89 WeakPolarHBondContact O-CB 3.35Å; L44-Y91 HydrophobicContact CD1-CD2 3.9Å; L44-Y91 HydrophobicContact CD1-CE2 4.24Å
45L96.7Very high93.3Very high91 Ų9151.5 Ų51.548%0.47627%0.27SS..SBendtrans-83.2-47.7175.2-61.5178.8000109.7R30 H31 L32 K43R30-L45 WeakPolarHBondContact O-CD1 3.23Å; H31-L45 WeakPolarHBondContact O-CB 3.35Å; L32-L45 PolarHBondContact O-N 2.92Å; K43-L45 HydrophobicContact CD-CD2 3.91Å; K43-L45 HydrophobicContact CG-CD2 4.01Å; K43-L45 PolarHBondContact O-N 2.86Å
46D96.9Very high93.3Very high68 Ų6852.2 Ų52.236%0.36428%0.281SS..SBendtrans-109.3101.1164.3-169.2-28.8000109.3L32 E48 E49 V50L32-D46 HydrophobicContact CD2-CB 4.04Å; L32-D46 PolarHBondContact O-N 3.02Å; L32-D46 VanDerWaalsContact O-N 3.07Å; D46-E48 PolarHBondContact OD1-N 2.99Å; D46-E49 HydrophobicContact CB-CB 4.13Å; D46-E49 VanDerWaalsContact CG-CB 3.47Å; D46-E49 PolarHBondContact OD1-N 3.35Å; D46-V50 VanDerWaalsContact O-CG2 3.23Å; D46-V50 WeakPolarHBondContact O-CG2 3.28Å; D46-V50 PolarHBondContact O-N 3.06Å
47A97.1Very high93.3Very high9 Ų951.1 Ų51.17%0.07427%0.27CS..Hα-helixtrans-75.9-23.4-176.800000113.7L44 A51 Y65 F89L44-A47 HydrophobicContact CB-CB 4.2Å; L44-A47 HydrophobicContact CD2-CB 4.34Å; A47-A51 PolarHBondContact O-N 2.79Å; A47-Y65 HydrophobicContact CB-CD2 3.65Å; A47-Y65 HydrophobicContact CB-CE2 3.99Å; A47-Y65 HydrophobicContact CB-CG 3.95Å; A47-F89 HydrophobicContact CB-CD1 3.46Å; A47-F89 VanDerWaalsContact CB-CD1 3.46Å; A47-F89 HydrophobicContact CB-CE1 3.52Å; A47-F89 HydrophobicContact CB-CG 4.25Å; A47-F89 HydrophobicContact CB-CZ 4.36Å
48E97.4Very high94Very high95 Ų9550.5 Ų50.544%0.44425%0.246SC..Hα-helixtrans-87.9-38.5179.6-65.5-60.2166.300111.3D46 A51 R52 Y65D46-E48 PolarHBondContact OD1-N 2.99Å; E48-A51 CarbonylContact O-C 3.45Å; E48-A51 WeakPolarHBondContact O-CA 3.32Å; E48-A51 WeakPolarHBondContact O-CB 3.46Å; E48-A51 PolarHBondContact O-N 2.99Å; E48-R52 PolarHBondContact O-N 3.15Å; E48-Y65 WeakPolarHBondContact OE1-CB 3.23Å; E48-Y65 PolarHBondContact OE2-N 3.12Å
49E96.4Very high94.9Very high48 Ų4851.9 Ų51.922%0.22426%0.256CS..Hα-helixtrans-67.6-37.3175.8-179.356.2-159.300111.6L32 D46 A51 R52 L53L32-E49 HydrophobicContact CD1-CG 3.91Å; L32-E49 HydrophobicContact CD2-CB 3.94Å; L32-E49 HydrophobicContact CD2-CG 3.55Å; L32-E49 HydrophobicContact CG-CG 4.36Å; D46-E49 HydrophobicContact CB-CB 4.13Å; D46-E49 VanDerWaalsContact CG-CB 3.47Å; D46-E49 PolarHBondContact OD1-N 3.35Å; E49-A51 PolarHBondContact O-N 3.29Å; E49-R52 VanDerWaalsContact CD-NE 3.31Å; E49-R52 PolarHBondContact O-N 2.89Å; E49-R52 IonicContact OE1-CZ 3.65Å; E49-R52 VanDerWaalsContact OE1-CZ 3.32Å; E49-R52 IonicContact OE1-NE 2.7Å; E49-R52 PolarHBondContact OE1-NE 2.99Å; E49-R52 VanDerWaalsContact OE1-NE 3.13Å; E49-R52 IonicContact OE1-NH2 3.13Å; E49-R52 PolarHBondContact OE1-NH2 3.1Å; E49-R52 WeakPolarHBondContact OE2-CD 3.37Å; E49-R52 IonicContact OE2-CZ 3.49Å; E49-R52 IonicContact OE2-NE 3.32Å; E49-R52 PolarHBondContact OE2-NE 3.17Å; E49-R52 IonicContact OE2-NH2 2.67Å; E49-L53 WeakPolarHBondContact O-CB 3.45Å; E49-L53 WeakPolarHBondContact O-CG 3.47Å; E49-L53 PolarHBondContact O-N 2.99Å
50V97Very high95.3Very high0 Ų051.5 Ų51.50%025%0.248CC..Hα-helixtrans-58.7-38.2167.9171.50000111.3F19 L20 L23 L32 I33 L44 D46 W54 L68F19-V50 HydrophobicContact CE1-CG1 4.45Å; L20-V50 HydrophobicContact CD2-CG1 3.53Å; L23-V50 HydrophobicContact CD2-CG1 4.18Å; L23-V50 HydrophobicContact CD2-CG2 4.28Å; L32-V50 HydrophobicContact CB-CG2 3.91Å; I33-V50 HydrophobicContact CB-CG2 4.1Å; L44-V50 HydrophobicContact CD2-CB 4.04Å; L44-V50 HydrophobicContact CD2-CG1 3.8Å; L44-V50 HydrophobicContact CD2-CG2 4.4Å; L44-V50 HydrophobicContact CG-CG1 4.43Å; L44-V50 HydrophobicContact CG-CG2 4.48Å; D46-V50 VanDerWaalsContact O-CG2 3.23Å; D46-V50 WeakPolarHBondContact O-CG2 3.28Å; D46-V50 PolarHBondContact O-N 3.06Å; V50-W54 WeakPolarHBondContact O-CB 3.36Å; V50-W54 PolarHBondContact O-N 3.06Å; V50-L68 HydrophobicContact CG1-CD1 4.11Å
51A97.8Very high95.4Very high0 Ų058 Ų580%027%0.274CS..Hα-helixtrans-72.6-3417600000113.1A47 E48 E49 W54 G55 M63 L68A47-A51 PolarHBondContact O-N 2.79Å; E48-A51 CarbonylContact O-C 3.45Å; E48-A51 WeakPolarHBondContact O-CA 3.32Å; E48-A51 WeakPolarHBondContact O-CB 3.46Å; E48-A51 PolarHBondContact O-N 2.99Å; E49-A51 PolarHBondContact O-N 3.29Å; A51-W54 PolarHBondContact O-N 3.34Å; A51-G55 PolarHBondContact O-N 3.12Å; A51-M63 HydrophobicContact CB-CG 4.46Å; A51-M63 WeakPolarHBondContact O-CG 3.49Å; A51-L68 HydrophobicContact CB-CB 4.22Å; A51-L68 HydrophobicContact CB-CD1 3.95Å
52R96.5Very high95.4Very high130 Ų13063.1 Ų63.149%0.49130%0.301SS..Hα-helixtrans-66.6-43.9173.7-164.9-164.669852.9111.1E48 E49 G55 L56E48-R52 PolarHBondContact O-N 3.15Å; E49-R52 VanDerWaalsContact CD-NE 3.31Å; E49-R52 PolarHBondContact O-N 2.89Å; E49-R52 IonicContact OE1-CZ 3.65Å; E49-R52 VanDerWaalsContact OE1-CZ 3.32Å; E49-R52 IonicContact OE1-NE 2.7Å; E49-R52 PolarHBondContact OE1-NE 2.99Å; E49-R52 VanDerWaalsContact OE1-NE 3.13Å; E49-R52 IonicContact OE1-NH2 3.13Å; E49-R52 PolarHBondContact OE1-NH2 3.1Å; E49-R52 WeakPolarHBondContact OE2-CD 3.37Å; E49-R52 IonicContact OE2-CZ 3.49Å; E49-R52 IonicContact OE2-NE 3.32Å; E49-R52 PolarHBondContact OE2-NE 3.17Å; E49-R52 IonicContact OE2-NH2 2.67Å; R52-G55 CarbonylContact O-C 3.58Å; R52-G55 WeakPolarHBondContact O-CA 3.35Å; R52-G55 PolarHBondContact O-N 3.04Å; R52-L56 WeakPolarHBondContact O-CB 3.35Å; R52-L56 PolarHBondContact O-N 3.07Å
53L95.1Very high95.5Very high27 Ų2765.1 Ų65.114%0.14131%0.311CS..Hα-helixtrans-64.1-39.7174.2-69.3173.7000111.9F19 L23 L32 E49 G55 L56 R57F19-L53 HydrophobicContact CZ-CB 3.82Å; L23-L53 HydrophobicContact CD2-CD1 4.32Å; L32-L53 HydrophobicContact CD1-CD1 3.5Å; L32-L53 VanDerWaalsContact CD1-CD1 3.5Å; E49-L53 WeakPolarHBondContact O-CB 3.45Å; E49-L53 WeakPolarHBondContact O-CG 3.47Å; E49-L53 PolarHBondContact O-N 2.99Å; L53-G55 VanDerWaalsContact C-N 3.34Å; L53-L56 PolarHBondContact O-N 3.3Å; L53-R57 WeakPolarHBondContact O-CB 3.47Å; L53-R57 PolarHBondContact O-N 2.8Å
54W95.8Very high95.5Very high24 Ų2463.5 Ų63.59%0.09131%0.306CS..Hα-helixtrans-63.8-41172.1176.7-124.9000111.8I14 L16 F19 V50 A51 R57 K58 L68I14-W54 HydrophobicContact CG2-CZ3 4.29Å; L16-W54 HydrophobicContact CB-CH2 4.06Å; L16-W54 HydrophobicContact CB-CZ2 3.83Å; L16-W54 HydrophobicContact CD1-CD2 3.77Å; L16-W54 HydrophobicContact CD1-CE3 4.2Å; L16-W54 HydrophobicContact CD1-CG 3.93Å; L16-W54 HydrophobicContact CD1-CZ2 4.46Å; F19-W54 HydrophobicContact CB-CE3 3.82Å; F19-W54 HydrophobicContact CB-CZ3 3.71Å; F19-W54 HydrophobicContact CD1-CB 4.23Å; F19-W54 HydrophobicContact CD1-CD2 4.31Å; F19-W54 AromaticContact CD1-CE3 3.67Å; F19-W54 HydrophobicContact CD1-CE3 3.67Å; F19-W54 HydrophobicContact CD1-CZ3 4.42Å; F19-W54 AromaticContact CD2-CE3 3.89Å; F19-W54 HydrophobicContact CD2-CE3 3.89Å; F19-W54 HydrophobicContact CD2-CZ3 4.36Å; F19-W54 HydrophobicContact CE1-CB 3.66Å; F19-W54 HydrophobicContact CE1-CE3 4.19Å; F19-W54 HydrophobicContact CE1-CG 4.44Å; F19-W54 HydrophobicContact CE2-CE3 4.37Å; F19-W54 AromaticContact CG-CE3 3.5Å; F19-W54 HydrophobicContact CG-CE3 3.5Å; F19-W54 AromaticContact CG-CZ3 3.93Å; F19-W54 HydrophobicContact CG-CZ3 3.93Å; F19-W54 HydrophobicContact CZ-CB 3.94Å; F19-W54 VanDerWaalsContact CZ-N 3.3Å; V50-W54 WeakPolarHBondContact O-CB 3.36Å; V50-W54 PolarHBondContact O-N 3.06Å; A51-W54 PolarHBondContact O-N 3.34Å; W54-R57 PolarHBondContact O-N 3.46Å; W54-K58 HydrophobicContact CD2-CG 4.01Å; W54-K58 HydrophobicContact CE3-CD 4.42Å; W54-K58 HydrophobicContact CE3-CG 3.89Å; W54-K58 HydrophobicContact CH2-CD 3.56Å; W54-K58 HydrophobicContact CH2-CG 3.61Å; W54-K58 HydrophobicContact CZ2-CD 4.1Å; W54-K58 HydrophobicContact CZ2-CG 3.71Å; W54-K58 HydrophobicContact CZ3-CD 3.75Å; W54-K58 HydrophobicContact CZ3-CG 3.7Å; W54-K58 PolarHBondContact O-N 3.47Å; W54-K58 VanDerWaalsContact O-N 3.14Å; W54-L68 HydrophobicContact CB-CD1 3.93Å; W54-L68 HydrophobicContact CG-CD1 4.16Å
55G95.4Very high95.6Very high2 Ų265.1 Ų65.12%0.02131%0.312CS..Hα-helixtrans-56.6-51.5171.600000111.9A51 R52 L53 R57 K58 N59 K60 M63A51-G55 PolarHBondContact O-N 3.12Å; R52-G55 CarbonylContact O-C 3.58Å; R52-G55 WeakPolarHBondContact O-CA 3.35Å; R52-G55 PolarHBondContact O-N 3.04Å; L53-G55 VanDerWaalsContact C-N 3.34Å; G55-R57 PolarHBondContact O-N 3.36Å; G55-K58 CarbonylContact O-C 3.52Å; G55-K58 PolarHBondContact O-N 3.3Å; G55-N59 CarbonylContact O-C 3.59Å; G55-N59 WeakPolarHBondContact O-CA 3.38Å; G55-N59 PolarHBondContact O-N 3.32Å; G55-K60 WeakPolarHBondContact CA-O 3.41Å; G55-K60 PolarHBondContact O-N 3.24Å; G55-M63 VanDerWaalsContact CA-CB 3.49Å
56L93.5Very high95.7Very high120 Ų12065.8 Ų65.863%0.62832%0.316SS*.Hα-helixtrans-57.4-49.9177.1-175.261.9000111.4R52 L53 K58 N59R52-L56 WeakPolarHBondContact O-CB 3.35Å; R52-L56 PolarHBondContact O-N 3.07Å; L53-L56 PolarHBondContact O-N 3.3Å; L56-K58 PolarHBondContact O-N 2.97Å; L56-N59 PolarHBondContact O-N 3.26Å; L56-N59 VanDerWaalsContact O-N 3.14Å
57R91.3Very high95.7Very high39 Ų3968 Ų6815%0.14732%0.323CS..Hα-helixtrans-62-23.7179.8-17657.1178.8-964.7113.9V8 D11 I14 F19 L53 W54 G55V8-R57 PolarHBondContact O-NH2 2.89Å; D11-R57 VanDerWaalsContact N-NH2 3.15Å; D11-R57 PolarHBondContact O-NE 2.92Å; D11-R57 PolarHBondContact O-NH2 3.07Å; D11-R57 VanDerWaalsContact O-NH2 3.08Å; I14-R57 HydrophobicContact CG2-CG 3.88Å; F19-R57 HydrophobicContact CD2-CB 4.23Å; F19-R57 HydrophobicContact CD2-CG 4.07Å; F19-R57 HydrophobicContact CE2-CB 4Å; F19-R57 HydrophobicContact CE2-CG 4.31Å; L53-R57 WeakPolarHBondContact O-CB 3.47Å; L53-R57 PolarHBondContact O-N 2.8Å; W54-R57 PolarHBondContact O-N 3.46Å; G55-R57 PolarHBondContact O-N 3.36Å
58K92.6Very high95.7Very high65 Ų6567.6 Ų67.628%0.28332%0.319SS..THydrogen-bonded Turntrans-109.78.7178.1-56.2-63.6-75.8-164.20113.9P12 I14 W54 G55 L56 K60P12-K58 PolarHBondContact O-NZ 3.02Å; I14-K58 PolarHBondContact O-NZ 3.28Å; W54-K58 HydrophobicContact CD2-CG 4.01Å; W54-K58 HydrophobicContact CE3-CD 4.42Å; W54-K58 HydrophobicContact CE3-CG 3.89Å; W54-K58 HydrophobicContact CH2-CD 3.56Å; W54-K58 HydrophobicContact CH2-CG 3.61Å; W54-K58 HydrophobicContact CZ2-CD 4.1Å; W54-K58 HydrophobicContact CZ2-CG 3.71Å; W54-K58 HydrophobicContact CZ3-CD 3.75Å; W54-K58 HydrophobicContact CZ3-CG 3.7Å; W54-K58 PolarHBondContact O-N 3.47Å; W54-K58 VanDerWaalsContact O-N 3.14Å; G55-K58 CarbonylContact O-C 3.52Å; G55-K58 PolarHBondContact O-N 3.3Å; L56-K58 PolarHBondContact O-N 2.97Å; K58-K60 VanDerWaalsContact C-N 3.32Å; K58-K60 HydrophobicContact CB-CG 4.21Å; K58-K60 PolarHBondContact O-N 3.43Å
59N92.6Very high95.8Very high135 Ų13563.1 Ų63.172%0.72230%0.298SS*.THydrogen-bonded Turntrans46.451.1-170.2-164.111.1000113.4G55 L56G55-N59 CarbonylContact O-C 3.59Å; G55-N59 WeakPolarHBondContact O-CA 3.38Å; G55-N59 PolarHBondContact O-N 3.32Å; L56-N59 PolarHBondContact O-N 3.26Å; L56-N59 VanDerWaalsContact O-N 3.14Å
60K93.7Very high95.8Very high125 Ų12566.2 Ų66.254%0.54331%0.308SS..  trans-123.481.3175.7-60.4-57.2172.3-164.60109.4G55 K58 N62 M63G55-K60 WeakPolarHBondContact CA-O 3.41Å; G55-K60 PolarHBondContact O-N 3.24Å; K58-K60 VanDerWaalsContact C-N 3.32Å; K58-K60 HydrophobicContact CB-CG 4.21Å; K58-K60 PolarHBondContact O-N 3.43Å; K60-N62 PolarHBondContact O-N 2.85Å; K60-M63 HydrophobicContact CB-CB 4.5Å; K60-M63 HydrophobicContact CB-CE 4.12Å; K60-M63 HydrophobicContact CG-CE 4.48Å; K60-M63 VanDerWaalsContact O-CB 3.26Å; K60-M63 WeakPolarHBondContact O-CB 3.12Å; K60-M63 PolarHBondContact O-N 3.01Å; K60-M63 VanDerWaalsContact O-N 3.1Å
61H91.8Very high95.8Very high157 Ų15767.6 Ų67.673%0.72732%0.319SS*.THydrogen-bonded Turntrans-53.3-36.5176.755.1-88.7000112.9M63H61-M63 PolarHBondContact O-N 2.93Å; H61-M63 VanDerWaalsContact O-N 3.08Å
62N95.8Very high95.8Very high115 Ų11567.6 Ų67.662%0.61532%0.319SS*.THydrogen-bonded Turntrans-80.732.7175.9-66.2-31000114.1K60 K67K60-N62 PolarHBondContact O-N 2.85Å; N62-K67 WeakPolarHBondContact O-CD 3.4Å; N62-K67 PolarHBondContact O-NZ 3.35Å
63M97.8Very high95.9Very high41 Ų4166.8 Ų66.820%0.20232%0.316CS..  trans-88.5140.7172.7-169.962.76700110.3A51 G55 K60 H61 K67A51-M63 HydrophobicContact CB-CG 4.46Å; A51-M63 WeakPolarHBondContact O-CG 3.49Å; G55-M63 VanDerWaalsContact CA-CB 3.49Å; K60-M63 HydrophobicContact CB-CB 4.5Å; K60-M63 HydrophobicContact CB-CE 4.12Å; K60-M63 HydrophobicContact CG-CE 4.48Å; K60-M63 VanDerWaalsContact O-CB 3.26Å; K60-M63 WeakPolarHBondContact O-CB 3.12Å; K60-M63 PolarHBondContact O-N 3.01Å; K60-M63 VanDerWaalsContact O-N 3.1Å; H61-M63 PolarHBondContact O-N 2.93Å; H61-M63 VanDerWaalsContact O-N 3.08Å; M63-K67 HydrophobicContact SD-CB 3.69Å
64N98.1Very high96Very high41 Ų4172.1 Ų72.122%0.21934%0.335CS..  trans-149.2173.4176.178.5-35.5000109.9D66 K67 L68N64-D66 VanDerWaalsContact C-N 3.3Å; N64-D66 PolarHBondContact ND2-OD2 3.44Å; N64-D66 PolarHBondContact O-N 3.32Å; N64-K67 PolarHBondContact O-N 3.41Å; N64-K67 VanDerWaalsContact O-N 3.17Å; N64-K67 VanDerWaalsContact OD1-CD 3.28Å; N64-K67 WeakPolarHBondContact OD1-CD 3.5Å; N64-K67 VanDerWaalsContact OD1-CG 3.31Å; N64-K67 WeakPolarHBondContact OD1-CG 3.27Å; N64-K67 PolarHBondContact OD1-N 3.45Å; N64-L68 PolarHBondContact O-N 3.07Å
65Y98.2Very high96.1Very high35 Ų3572.3 Ų72.314%0.13734%0.336CS..Hα-helixtrans-61.7-31.1-177.6178.7-108.1000113.8L44 A47 E48 K67 L68 S69 F89 Y91L44-Y65 HydrophobicContact CD2-CD2 4.43Å; L44-Y65 HydrophobicContact CD2-CE2 4.24Å; A47-Y65 HydrophobicContact CB-CD2 3.65Å; A47-Y65 HydrophobicContact CB-CE2 3.99Å; A47-Y65 HydrophobicContact CB-CG 3.95Å; E48-Y65 WeakPolarHBondContact OE1-CB 3.23Å; E48-Y65 PolarHBondContact OE2-N 3.12Å; Y65-K67 VanDerWaalsContact C-N 3.33Å; Y65-K67 PolarHBondContact O-N 2.79Å; Y65-L68 PolarHBondContact O-N 2.75Å; Y65-S69 WeakPolarHBondContact O-CA 3.14Å; Y65-S69 WeakPolarHBondContact O-CB 3.45Å; Y65-S69 PolarHBondContact O-N 2.88Å; Y65-S69 PolarHBondContact O-OG 3.33Å; Y65-F89 HydrophobicContact CD1-CE1 4Å; Y65-F89 AromaticContact CE1-CD1 3.92Å; Y65-F89 HydrophobicContact CE1-CD1 3.92Å; Y65-F89 AromaticContact CE1-CE1 3.55Å; Y65-F89 HydrophobicContact CE1-CE1 3.55Å; Y65-F89 AromaticContact CE2-CD1 3.99Å; Y65-F89 HydrophobicContact CE2-CD1 3.99Å; Y65-F89 HydrophobicContact CE2-CE1 4.31Å; Y65-F89 AromaticContact CZ-CD1 3.54Å; Y65-F89 AromaticContact CZ-CE1 3.7Å; Y65-F89 WeakPolarHBondContact OH-CD1 3.22Å; Y65-Y91 PolarHBondContact OH-OH 2.87Å
66D97.9Very high96.1Very high106 Ų10675.1 Ų75.157%0.56735%0.347SS*.Hα-helixtrans-59.7-44.7174.7-65.4-64.9000112.1N64 S69 R70N64-D66 VanDerWaalsContact C-N 3.3Å; N64-D66 PolarHBondContact ND2-OD2 3.44Å; N64-D66 PolarHBondContact O-N 3.32Å; D66-S69 PolarHBondContact O-OG 2.91Å; D66-S69 VanDerWaalsContact O-OG 3.12Å; D66-R70 WeakPolarHBondContact O-CB 3.2Å; D66-R70 PolarHBondContact O-N 3.39Å
67K97.7Very high96.1Very high115 Ų11576.2 Ų76.250%0.535%0.353SS..Hα-helixtrans-71.7-41.9180-67.9161-169.7155.10111.3N62 M63 N64 Y65 R70 A71N62-K67 WeakPolarHBondContact O-CD 3.4Å; N62-K67 PolarHBondContact O-NZ 3.35Å; M63-K67 HydrophobicContact SD-CB 3.69Å; N64-K67 PolarHBondContact O-N 3.41Å; N64-K67 VanDerWaalsContact O-N 3.17Å; N64-K67 VanDerWaalsContact OD1-CD 3.28Å; N64-K67 WeakPolarHBondContact OD1-CD 3.5Å; N64-K67 VanDerWaalsContact OD1-CG 3.31Å; N64-K67 WeakPolarHBondContact OD1-CG 3.27Å; N64-K67 PolarHBondContact OD1-N 3.45Å; Y65-K67 VanDerWaalsContact C-N 3.33Å; Y65-K67 PolarHBondContact O-N 2.79Å; K67-R70 PolarHBondContact O-N 2.84Å; K67-A71 PolarHBondContact O-N 3.22Å
68L98.3Very high96.2Very high0 Ų081 Ų810%038%0.375CS..Hα-helixtrans-64-47.8175.4-172.9153.2000111.1L16 L44 V50 A51 W54 N64 Y65 R70 A71 L72L16-L68 HydrophobicContact CD1-CD1 3.89Å; L16-L68 HydrophobicContact CD1-CD2 4.38Å; L16-L68 HydrophobicContact CD1-CG 3.87Å; L16-L68 HydrophobicContact CD2-CD2 4.19Å; L16-L68 HydrophobicContact CD2-CG 3.93Å; L44-L68 HydrophobicContact CD2-CD2 4.45Å; V50-L68 HydrophobicContact CG1-CD1 4.11Å; A51-L68 HydrophobicContact CB-CB 4.22Å; A51-L68 HydrophobicContact CB-CD1 3.95Å; W54-L68 HydrophobicContact CB-CD1 3.93Å; W54-L68 HydrophobicContact CG-CD1 4.16Å; N64-L68 PolarHBondContact O-N 3.07Å; Y65-L68 PolarHBondContact O-N 2.75Å; L68-R70 VanDerWaalsContact C-N 3.25Å; L68-R70 PolarHBondContact O-N 3.3Å; L68-A71 WeakPolarHBondContact O-CA 3.45Å; L68-A71 WeakPolarHBondContact O-CB 3.29Å; L68-A71 PolarHBondContact O-N 2.64Å; L68-L72 HydrophobicContact CD2-CD1 3.77Å; L68-L72 HydrophobicContact CD2-CG 4.03Å; L68-L72 PolarHBondContact O-N 3.11Å
69S98Very high96.3Very high1 Ų181.7 Ų81.71%0.00738%0.382CS..Hα-helixtrans-66.8-24.9177.170.80000112.4Y65 D66 A71 L72 R73Y65-S69 WeakPolarHBondContact O-CA 3.14Å; Y65-S69 WeakPolarHBondContact O-CB 3.45Å; Y65-S69 PolarHBondContact O-N 2.88Å; Y65-S69 PolarHBondContact O-OG 3.33Å; D66-S69 PolarHBondContact O-OG 2.91Å; D66-S69 VanDerWaalsContact O-OG 3.12Å; S69-A71 VanDerWaalsContact C-N 3.31Å; S69-L72 PolarHBondContact O-N 3.05Å; S69-R73 WeakPolarHBondContact O-CG 3.3Å; S69-R73 PolarHBondContact O-N 3.24Å; S69-R73 PolarHBondContact O-NH1 3.28Å; S69-R73 PolarHBondContact OG-NH1 2.69Å
70R98Very high96.4Very high112 Ų11277.2 Ų77.242%0.42336%0.357SS..Hα-helixtrans-67.3-33.3170.4-173.964.3-166.690.8-13.4111.8D66 K67 L68 Y74D66-R70 WeakPolarHBondContact O-CB 3.2Å; D66-R70 PolarHBondContact O-N 3.39Å; K67-R70 PolarHBondContact O-N 2.84Å; L68-R70 VanDerWaalsContact C-N 3.25Å; L68-R70 PolarHBondContact O-N 3.3Å; R70-Y74 HydrophobicContact CG-CE2 4.38Å; R70-Y74 VanDerWaalsContact CZ-CE1 3.5Å; R70-Y74 VanDerWaalsContact NH2-CE1 3.25Å; R70-Y74 PolarHBondContact NH2-OH 3.49Å; R70-Y74 VanDerWaalsContact O-CD2 3.32Å; R70-Y74 WeakPolarHBondContact O-CD2 3.27Å
71A96.8Very high96.6Very high29 Ų2971.2 Ų71.224%0.2433%0.332CS..Hα-helixtrans-72.4-40.717100000112.3L16 K67 L68 S69 R73 Y74L16-A71 HydrophobicContact CD2-CB 3.61Å; K67-A71 PolarHBondContact O-N 3.22Å; L68-A71 WeakPolarHBondContact O-CA 3.45Å; L68-A71 WeakPolarHBondContact O-CB 3.29Å; L68-A71 PolarHBondContact O-N 2.64Å; S69-A71 VanDerWaalsContact C-N 3.31Å; A71-R73 VanDerWaalsContact C-N 3.28Å; A71-R73 PolarHBondContact O-N 2.95Å; A71-Y74 WeakPolarHBondContact O-CB 3.25Å; A71-Y74 PolarHBondContact O-N 2.97Å
72L97.9Very high96.7Very high0 Ų068.1 Ų68.10%032%0.316CS..Hα-helixtrans-56.3-41.2172-68.3178.6000112.3L16 L20 L68 S69 Y74 Y75 Y76 I81 Y91L16-L72 HydrophobicContact CD2-CD2 4.13Å; L16-L72 HydrophobicContact CD2-CG 4.27Å; L20-L72 HydrophobicContact CD1-CD2 3.69Å; L68-L72 HydrophobicContact CD2-CD1 3.77Å; L68-L72 HydrophobicContact CD2-CG 4.03Å; L68-L72 PolarHBondContact O-N 3.11Å; S69-L72 PolarHBondContact O-N 3.05Å; L72-Y74 PolarHBondContact O-N 3.39Å; L72-Y75 HydrophobicContact CD2-CD2 4.17Å; L72-Y75 WeakPolarHBondContact O-CB 3.49Å; L72-Y75 PolarHBondContact O-N 3.34Å; L72-Y76 WeakPolarHBondContact O-CD1 3.31Å; L72-Y76 WeakPolarHBondContact O-CE1 3.39Å; L72-I81 HydrophobicContact CD2-CD1 3.9Å; L72-Y91 HydrophobicContact CB-CE1 4.18Å; L72-Y91 HydrophobicContact CD1-CD1 4.25Å; L72-Y91 HydrophobicContact CD1-CD2 4.1Å; L72-Y91 HydrophobicContact CD1-CE1 3.84Å; L72-Y91 HydrophobicContact CD1-CE2 3.7Å; L72-Y91 HydrophobicContact CD1-CG 4.36Å
73R97.5Very high96.8Very high113 Ų11366.2 Ų66.243%0.42630%0.302SS..Hα-helixtrans-59.3-29.1174.4-70.9172.4-171.593.4-15.3113.6S69 A71 Y75 Y76S69-R73 WeakPolarHBondContact O-CG 3.3Å; S69-R73 PolarHBondContact O-N 3.24Å; S69-R73 PolarHBondContact O-NH1 3.28Å; S69-R73 PolarHBondContact OG-NH1 2.69Å; A71-R73 VanDerWaalsContact C-N 3.28Å; A71-R73 PolarHBondContact O-N 2.95Å; R73-Y75 VanDerWaalsContact C-N 3.25Å; R73-Y75 PolarHBondContact O-N 2.97Å; R73-Y76 HydrophobicContact CB-CE2 4.19Å; R73-Y76 HydrophobicContact CG-CE2 3.87Å
74Y97.3Very high96.7Very high139 Ų13965.5 Ų65.555%0.54530%0.3SS..THydrogen-bonded Turntrans-77.8-5174-66.7-56.4000113.8R70 A71 L72 K78R70-Y74 HydrophobicContact CG-CE2 4.38Å; R70-Y74 VanDerWaalsContact CZ-CE1 3.5Å; R70-Y74 VanDerWaalsContact NH2-CE1 3.25Å; R70-Y74 PolarHBondContact NH2-OH 3.49Å; R70-Y74 VanDerWaalsContact O-CD2 3.32Å; R70-Y74 WeakPolarHBondContact O-CD2 3.27Å; A71-Y74 WeakPolarHBondContact O-CB 3.25Å; A71-Y74 PolarHBondContact O-N 2.97Å; L72-Y74 PolarHBondContact O-N 3.39Å; Y74-K78 WeakPolarHBondContact O-CD 3.34Å; Y74-K78 WeakPolarHBondContact O-CG 3.4Å
75Y97.1Very high96.5Very high29 Ų2968.7 Ų68.711%0.11433%0.326CS..THydrogen-bonded Turntrans-94.8-10176.1-65.9-38.4000114.1L16 W17 L72 R73 N79 I80 I81L16-Y75 HydrophobicContact CB-CE2 4.07Å; L16-Y75 HydrophobicContact CD2-CE2 4.21Å; L16-Y75 HydrophobicContact CG-CE2 4.29Å; W17-Y75 HydrophobicContact CB-CD2 4.46Å; W17-Y75 HydrophobicContact CB-CE2 3.94Å; W17-Y75 AromaticContact CD1-CZ 3.87Å; L72-Y75 HydrophobicContact CD2-CD2 4.17Å; L72-Y75 WeakPolarHBondContact O-CB 3.49Å; L72-Y75 PolarHBondContact O-N 3.34Å; R73-Y75 VanDerWaalsContact C-N 3.25Å; R73-Y75 PolarHBondContact O-N 2.97Å; Y75-N79 PolarHBondContact O-N 3.19Å; Y75-I80 HydrophobicContact CD1-CB 4.32Å; Y75-I80 HydrophobicContact CD1-CD1 4Å; Y75-I80 HydrophobicContact CE1-CD1 4.35Å; Y75-I80 HydrophobicContact CG-CB 4.36Å; Y75-I80 HydrophobicContact CG-CG2 4.48Å; Y75-I80 PolarHBondContact O-N 2.86Å; Y75-I80 VanDerWaalsContact O-N 3.12Å; Y75-I81 CarbonylContact C-O 3.58Å; Y75-I81 VanDerWaalsContact C-O 3.22Å; Y75-I81 HydrophobicContact CD2-CD1 4Å; Y75-I81 PolarHBondContact O-N 3.17Å; Y75-I81 VanDerWaalsContact O-O 3.12Å
76Y95.5Very high96.3Very high61 Ų6171.3 Ų71.324%0.23936%0.363CS..THydrogen-bonded Turntrans-64.4-60.3-178.8-58.9-4.8000110.5L72 R73 K78 N79 I81 K83 Y91L72-Y76 WeakPolarHBondContact O-CD1 3.31Å; L72-Y76 WeakPolarHBondContact O-CE1 3.39Å; R73-Y76 HydrophobicContact CB-CE2 4.19Å; R73-Y76 HydrophobicContact CG-CE2 3.87Å; Y76-K78 PolarHBondContact O-N 3.24Å; Y76-N79 PolarHBondContact O-N 2.87Å; Y76-I81 WeakPolarHBondContact CA-O 3.42Å; Y76-I81 WeakPolarHBondContact CD1-O 3.34Å; Y76-I81 PolarHBondContact N-O 2.91Å; Y76-K83 HydrophobicContact CE1-CB 3.9Å; Y76-K83 HydrophobicContact CE2-CB 4.09Å; Y76-Y91 HydrophobicContact CE1-CE1 4.29Å
77D94Very high96.1Very high143 Ų14369.8 Ų69.877%0.76535%0.353SS*.THydrogen-bonded Turntrans-65.1-29.2-179.8-43.5-35.6000111.9N79D77-N79 PolarHBondContact O-N 3.05Å; D77-N79 PolarHBondContact O-ND2 2.98Å
78K93.8Very high96Very high139 Ų13972.5 Ų72.560%0.60436%0.364SS*.THydrogen-bonded Turntrans-74.9-5.7176.2-65.8-168.867175.40113.9Y74 Y76 I80Y74-K78 WeakPolarHBondContact O-CD 3.34Å; Y74-K78 WeakPolarHBondContact O-CG 3.4Å; Y76-K78 PolarHBondContact O-N 3.24Å; K78-I80 VanDerWaalsContact C-N 3.29Å; K78-I80 HydrophobicContact CB-CD1 4.02Å; K78-I80 HydrophobicContact CB-CG1 4.16Å; K78-I80 HydrophobicContact CD-CD1 4.42Å; K78-I80 PolarHBondContact O-N 3Å
79N94.8Very high96Very high80 Ų8076.1 Ų76.143%0.42838%0.38SS..THydrogen-bonded Turntrans50.446.8-175.4-65.8-81.9000112.7Y75 Y76 D77 K82 V94Y75-N79 PolarHBondContact O-N 3.19Å; Y76-N79 PolarHBondContact O-N 2.87Å; D77-N79 PolarHBondContact O-N 3.05Å; D77-N79 PolarHBondContact O-ND2 2.98Å; N79-K82 WeakPolarHBondContact OD1-CE 3.28Å; N79-K82 PolarHBondContact OD1-NZ 3.03Å; N79-V94 HydrophobicContact CB-CG1 4.29Å; N79-V94 WeakPolarHBondContact O-CB 3.32Å
80I95.1Very high95.9Very high40 Ų4076 Ų7621%0.20538%0.38CS..SBendtrans-107-49.1173.8-63.6169.7000110W17 Y75 K78 V94W17-I80 HydrophobicContact CB-CG2 3.82Å; W17-I80 HydrophobicContact CD2-CG2 4.1Å; W17-I80 HydrophobicContact CG-CG2 3.7Å; Y75-I80 HydrophobicContact CD1-CB 4.32Å; Y75-I80 HydrophobicContact CD1-CD1 4Å; Y75-I80 HydrophobicContact CE1-CD1 4.35Å; Y75-I80 HydrophobicContact CG-CB 4.36Å; Y75-I80 HydrophobicContact CG-CG2 4.48Å; Y75-I80 PolarHBondContact O-N 2.86Å; Y75-I80 VanDerWaalsContact O-N 3.12Å; K78-I80 VanDerWaalsContact C-N 3.29Å; K78-I80 HydrophobicContact CB-CD1 4.02Å; K78-I80 HydrophobicContact CB-CG1 4.16Å; K78-I80 HydrophobicContact CD-CD1 4.42Å; K78-I80 PolarHBondContact O-N 3Å; I80-V94 PolarHBondContact O-N 2.74Å
81I96.4Very high95.9Very high0 Ų071 Ų710%036%0.361CS..EExtended strand (participates in β ladder)trans-136.4133.4173.9-69162.1000107.2W17 L20 F42 L72 Y75 Y76 Y91 K92 F93W17-I81 HydrophobicContact CB-CD1 3.95Å; L20-I81 HydrophobicContact CD1-CD1 4.44Å; F42-I81 HydrophobicContact CE1-CD1 4.45Å; F42-I81 HydrophobicContact CE1-CG1 4.35Å; F42-I81 HydrophobicContact CE1-CG2 4.21Å; F42-I81 HydrophobicContact CZ-CD1 4.13Å; F42-I81 HydrophobicContact CZ-CG1 4.48Å; F42-I81 HydrophobicContact CZ-CG2 4.22Å; L72-I81 HydrophobicContact CD2-CD1 3.9Å; Y75-I81 CarbonylContact C-O 3.58Å; Y75-I81 VanDerWaalsContact C-O 3.22Å; Y75-I81 HydrophobicContact CD2-CD1 4Å; Y75-I81 PolarHBondContact O-N 3.17Å; Y75-I81 VanDerWaalsContact O-O 3.12Å; Y76-I81 WeakPolarHBondContact CA-O 3.42Å; Y76-I81 WeakPolarHBondContact CD1-O 3.34Å; Y76-I81 PolarHBondContact N-O 2.91Å; I81-Y91 HydrophobicContact CG2-CD1 4.02Å; I81-Y91 HydrophobicContact CG2-CG 4.3Å; I81-K92 CarbonylContact C-O 3.53Å; I81-K92 WeakPolarHBondContact CA-O 3.14Å; I81-F93 HydrophobicContact CD1-CD1 4.21Å; I81-F93 HydrophobicContact CD1-CE1 3.73Å; I81-F93 HydrophobicContact CD1-CZ 4Å; I81-F93 HydrophobicContact CG1-CD1 3.63Å; I81-F93 HydrophobicContact CG1-CE1 3.7Å; I81-F93 HydrophobicContact CG1-CG 4.18Å; I81-F93 HydrophobicContact CG1-CZ 4.27Å
82K95.7Very high95.8Very high92 Ų9272.5 Ų72.540%0.436%0.362SS..EExtended strand (participates in β ladder)trans-108.3156171.9-75.5174.8-178.8169.40110.8N79 Y91 K92 V94N79-K82 WeakPolarHBondContact OD1-CE 3.28Å; N79-K82 PolarHBondContact OD1-NZ 3.03Å; K82-Y91 WeakPolarHBondContact O-CA 3.49Å; K82-K92 PolarHBondContact N-O 2.94Å; K82-K92 PolarHBondContact O-N 3.02Å; K82-V94 HydrophobicContact CB-CG2 4.31Å; K82-V94 HydrophobicContact CD-CG2 3.72Å; K82-V94 HydrophobicContact CG-CG2 3.7Å
83K96.2Very high95.7Very high75 Ų7573.7 Ų73.733%0.32637%0.367SS..EExtended strand (participates in β ladder)trans-87.8124.9175.6176.461.4-165.3147.40110.3Y76 S85 Q87 V90 Y91Y76-K83 HydrophobicContact CE1-CB 3.9Å; Y76-K83 HydrophobicContact CE2-CB 4.09Å; K83-S85 PolarHBondContact O-N 3.17Å; K83-Q87 PolarHBondContact NZ-O 3.29Å; K83-V90 PolarHBondContact NZ-O 2.86Å; K83-Y91 HydrophobicContact CB-CD1 4.45Å; K83-Y91 HydrophobicContact CB-CE1 4.34Å; K83-Y91 HydrophobicContact CD-CD1 3.93Å; K83-Y91 HydrophobicContact CD-CE1 3.5Å; K83-Y91 HydrophobicContact CG-CE1 4.48Å
84V95.4Very high95.5Very high26 Ų2670.2 Ų70.216%0.15836%0.358CS..PPolyproline II helixtrans-76.6121170.6176.20000108.3E41 Q87 V90 K92E41-V84 HydrophobicContact CG-CG2 4.3Å; E41-V84 WeakPolarHBondContact OE2-CG2 3.45Å; V84-Q87 HydrophobicContact CG1-CB 4.11Å; V84-Q87 HydrophobicContact CG1-CG 4.07Å; V84-V90 HydrophobicContact CB-CB 4.28Å; V84-V90 HydrophobicContact CB-CG1 3.9Å; V84-V90 HydrophobicContact CG1-CG1 4.09Å; V84-V90 HydrophobicContact CG2-CG1 3.99Å; V84-K92 HydrophobicContact CG2-CB 3.92Å
85S94.4Very high94.5Very high108 Ų10867.8 Ų67.876%0.75536%0.362SS*.SBendtrans-73154.2-178.945.70000111.3K83 Q87K83-S85 PolarHBondContact O-N 3.17Å; S85-Q87 PolarHBondContact O-N 3.27Å
86G93.8Very high92.7Very high89 Ų8975.1 Ų75.192%0.91840%0.397SS*.SBendtrans73.1-43.3-175.800000114.8
87Q94.8Very high90.7Very high75 Ų7577.3 Ų77.335%0.3542%0.418SS..SBendtrans-80.5126.8-177.1-63-151.572.400112.9E41 K83 V84 S85 V90E41-Q87 PolarHBondContact OE1-NE2 2.8Å; K83-Q87 PolarHBondContact NZ-O 3.29Å; V84-Q87 HydrophobicContact CG1-CB 4.11Å; V84-Q87 HydrophobicContact CG1-CG 4.07Å; S85-Q87 PolarHBondContact O-N 3.27Å; Q87-V90 HydrophobicContact CB-CB 3.68Å; Q87-V90 HydrophobicContact CB-CG1 4.4Å; Q87-V90 HydrophobicContact CB-CG2 3.7Å; Q87-V90 HydrophobicContact CG-CG2 4.43Å
88K96.1Very high88.5Confident171 Ų17174.8 Ų74.874%0.74341%0.405SS*.SBendtrans-73.9140.5170.8-70.1-172178.8-178.70110.7V90K88-V90 PolarHBondContact O-N 3.04Å
89F97.4Very high86.7Confident76 Ų7673.5 Ų73.533%0.33341%0.411SS..SBendtrans59.22.6178.3-50-70.7000117.7L44 A47 Y65 Y91L44-F89 HydrophobicContact CB-CB 4.25Å; L44-F89 PolarHBondContact N-O 3.35Å; L44-F89 WeakPolarHBondContact O-CB 3.35Å; A47-F89 HydrophobicContact CB-CD1 3.46Å; A47-F89 VanDerWaalsContact CB-CD1 3.46Å; A47-F89 HydrophobicContact CB-CE1 3.52Å; A47-F89 HydrophobicContact CB-CG 4.25Å; A47-F89 HydrophobicContact CB-CZ 4.36Å; Y65-F89 HydrophobicContact CD1-CE1 4Å; Y65-F89 AromaticContact CE1-CD1 3.92Å; Y65-F89 HydrophobicContact CE1-CD1 3.92Å; Y65-F89 AromaticContact CE1-CE1 3.55Å; Y65-F89 HydrophobicContact CE1-CE1 3.55Å; Y65-F89 AromaticContact CE2-CD1 3.99Å; Y65-F89 HydrophobicContact CE2-CD1 3.99Å; Y65-F89 HydrophobicContact CE2-CE1 4.31Å; Y65-F89 AromaticContact CZ-CD1 3.54Å; Y65-F89 AromaticContact CZ-CE1 3.7Å; Y65-F89 WeakPolarHBondContact OH-CD1 3.22Å; F89-Y91 WeakPolarHBondContact O-CD2 3.42Å
90V96.9Very high84.8Confident0 Ų075.1 Ų75.10%042%0.423CS..EExtended strand (participates in β ladder)trans-91139.3176-176.50000112.5E41 F42 K43 K83 V84 Q87 K88E41-V90 HydrophobicContact CG-CG1 3.39Å; E41-V90 VanDerWaalsContact OE1-CG1 3.27Å; E41-V90 WeakPolarHBondContact OE1-CG1 3.35Å; F42-V90 CarbonylContact O-C 3.5Å; F42-V90 WeakPolarHBondContact O-CA 3.48Å; K43-V90 HydrophobicContact CB-CG2 3.9Å; K43-V90 HydrophobicContact CD-CG2 3.71Å; K43-V90 HydrophobicContact CG-CG2 3.63Å; K83-V90 PolarHBondContact NZ-O 2.86Å; V84-V90 HydrophobicContact CB-CB 4.28Å; V84-V90 HydrophobicContact CB-CG1 3.9Å; V84-V90 HydrophobicContact CG1-CG1 4.09Å; V84-V90 HydrophobicContact CG2-CG1 3.99Å; Q87-V90 HydrophobicContact CB-CB 3.68Å; Q87-V90 HydrophobicContact CB-CG1 4.4Å; Q87-V90 HydrophobicContact CB-CG2 3.7Å; Q87-V90 HydrophobicContact CG-CG2 4.43Å; K88-V90 PolarHBondContact O-N 3.04Å
91Y97.1Very high82.8Confident6 Ų680.6 Ų80.62%0.02445%0.452CS..EExtended strand (participates in β ladder)trans-144.8154.4-175.8-69.6-85.6000109.6E41 F42 L44 Y65 L72 Y76 I81 K82 K83 F89E41-Y91 WeakPolarHBondContact CA-O 3.48Å; F42-Y91 VanDerWaalsContact CD1-O 3.22Å; F42-Y91 WeakPolarHBondContact CD1-O 3.44Å; F42-Y91 VanDerWaalsContact CZ-CB 3.47Å; F42-Y91 HydrophobicContact CZ-CG 4.32Å; F42-Y91 PolarHBondContact N-O 2.84Å; F42-Y91 PolarHBondContact O-N 3.19Å; L44-Y91 HydrophobicContact CD1-CD2 3.9Å; L44-Y91 HydrophobicContact CD1-CE2 4.24Å; Y65-Y91 PolarHBondContact OH-OH 2.87Å; L72-Y91 HydrophobicContact CB-CE1 4.18Å; L72-Y91 HydrophobicContact CD1-CD1 4.25Å; L72-Y91 HydrophobicContact CD1-CD2 4.1Å; L72-Y91 HydrophobicContact CD1-CE1 3.84Å; L72-Y91 HydrophobicContact CD1-CE2 3.7Å; L72-Y91 HydrophobicContact CD1-CG 4.36Å; Y76-Y91 HydrophobicContact CE1-CE1 4.29Å; I81-Y91 HydrophobicContact CG2-CD1 4.02Å; I81-Y91 HydrophobicContact CG2-CG 4.3Å; K82-Y91 WeakPolarHBondContact O-CA 3.49Å; K83-Y91 HydrophobicContact CB-CD1 4.45Å; K83-Y91 HydrophobicContact CB-CE1 4.34Å; K83-Y91 HydrophobicContact CD-CD1 3.93Å; K83-Y91 HydrophobicContact CD-CE1 3.5Å; K83-Y91 HydrophobicContact CG-CE1 4.48Å; F89-Y91 WeakPolarHBondContact O-CD2 3.42Å
92K95.5Very high80.7Confident61 Ų6185 Ų8527%0.26549%0.488SS..EExtended strand (participates in β ladder)trans-122.8121.1-180-164.9168.4-171178.80110.2E38 D39 G40 E41 I81 K82 V84E38-K92 IonicContact OE1-NZ 2.64Å; E38-K92 PolarHBondContact OE1-NZ 3.23Å; D39-K92 WeakPolarHBondContact O-CE 3.33Å; G40-K92 CarbonylContact O-C 3.22Å; G40-K92 WeakPolarHBondContact O-CA 3.09Å; E41-K92 HydrophobicContact CB-CG 4.32Å; I81-K92 CarbonylContact C-O 3.53Å; I81-K92 WeakPolarHBondContact CA-O 3.14Å; K82-K92 PolarHBondContact N-O 2.94Å; K82-K92 PolarHBondContact O-N 3.02Å; V84-K92 HydrophobicContact CG2-CB 3.92Å
93F95.6Very high78.4Confident25 Ų2587.6 Ų87.611%0.1151%0.507CS..EExtended strand (participates in β ladder)trans-62.5137.5166.8-83-81.4000109W17 L20 L21 L24 W35 G40 F42 I81 S95W17-F93 HydrophobicContact CB-CE1 4.2Å; W17-F93 HydrophobicContact CE3-CE1 4.4Å; L20-F93 HydrophobicContact CB-CZ 4.44Å; L21-F93 HydrophobicContact CB-CZ 4.13Å; L24-F93 HydrophobicContact CD1-CE2 3.95Å; W35-F93 AromaticContact CH2-CD2 3.81Å; W35-F93 HydrophobicContact CH2-CD2 3.81Å; W35-F93 HydrophobicContact CH2-CE2 4.09Å; W35-F93 AromaticContact CZ3-CD2 3.9Å; W35-F93 HydrophobicContact CZ3-CD2 3.9Å; W35-F93 HydrophobicContact CZ3-CE2 4.44Å; G40-F93 PolarHBondContact O-N 3.1Å; F42-F93 AromaticContact CD1-CD2 3.41Å; F42-F93 HydrophobicContact CD1-CD2 3.41Å; F42-F93 VanDerWaalsContact CD1-CD2 3.41Å; F42-F93 AromaticContact CD1-CE2 3.58Å; F42-F93 HydrophobicContact CD1-CE2 3.58Å; F42-F93 HydrophobicContact CD1-CG 4.47Å; F42-F93 AromaticContact CE1-CD2 3.33Å; F42-F93 HydrophobicContact CE1-CD2 3.33Å; F42-F93 AromaticContact CE1-CE2 3.34Å; F42-F93 HydrophobicContact CE1-CE2 3.34Å; F42-F93 HydrophobicContact CE1-CG 4.13Å; F42-F93 HydrophobicContact CE1-CZ 4.16Å; F42-F93 HydrophobicContact CG-CD2 4.47Å; F42-F93 HydrophobicContact CG-CE2 4.34Å; F42-F93 HydrophobicContact CZ-CD2 4.33Å; F42-F93 AromaticContact CZ-CE2 3.93Å; F42-F93 HydrophobicContact CZ-CE2 3.93Å; F42-F93 HydrophobicContact CZ-CZ 4.45Å; I81-F93 HydrophobicContact CD1-CD1 4.21Å; I81-F93 HydrophobicContact CD1-CE1 3.73Å; I81-F93 HydrophobicContact CD1-CZ 4Å; I81-F93 HydrophobicContact CG1-CD1 3.63Å; I81-F93 HydrophobicContact CG1-CE1 3.7Å; I81-F93 HydrophobicContact CG1-CG 4.18Å; I81-F93 HydrophobicContact CG1-CZ 4.27Å; F93-S95 PolarHBondContact O-N 3.25Å
94V92.3Very high75.6Confident39 Ų3986.8 Ų86.824%0.23652%0.52CS..  trans-89.592.8176.6-176.70000107.7N79 I80 K82N79-V94 HydrophobicContact CB-CG1 4.29Å; N79-V94 WeakPolarHBondContact O-CB 3.32Å; I80-V94 PolarHBondContact O-N 2.74Å; K82-V94 HydrophobicContact CB-CG2 4.31Å; K82-V94 HydrophobicContact CD-CG2 3.72Å; K82-V94 HydrophobicContact CG-CG2 3.7Å
95S77.1Confident73.6Confident89 Ų8991 Ų9162%0.62255%0.548SS*.  trans-49.9147.9153.4-62.30000108.8F93F93-S95 PolarHBondContact O-N 3.25Å
96Q58.7Low71.1Confident183 Ų18395.1 Ų95.186%0.85556%0.555SS**  trans-44.6140.3-166.4-69.4-178.7-16.800112.9D98Q96-D98 PolarHBondContact O-N 3.22Å; Q96-D98 VanDerWaalsContact O-N 3.17Å
97P54.1Low68.2Low106 Ų10694.8 Ų94.869%0.68855%0.551SS**  trans-56.3126.4177.325.7-34.1000109.1P99P97-P99 WeakPolarHBondContact O-CD 3.34Å; P97-P99 VanDerWaalsContact O-N 3.12Å
98D47.4Very low65.8Low90 Ų9095.9 Ų95.948%0.48157%0.573SS.*  trans-53.1117.2175.3179.8-1.7000108.8Q96 V100 L101Q96-D98 PolarHBondContact O-N 3.22Å; Q96-D98 VanDerWaalsContact O-N 3.17Å; D98-V100 PolarHBondContact O-N 2.99Å; D98-V100 WeakPolarHBondContact OD1-CB 3.23Å; D98-V100 WeakPolarHBondContact OD1-CG2 3.49Å; D98-V100 PolarHBondContact OD1-N 3.23Å; D98-V100 VanDerWaalsContact OD1-N 3.14Å; D98-L101 PolarHBondContact O-N 2.89Å; D98-L101 VanDerWaalsContact O-N 3.12Å
99P55.5Low63Low113 Ų11397.1 Ų97.173%0.73458%0.581SS**G310 helixtrans-61.6-15.7-17525-35000113P97 L101P97-P99 WeakPolarHBondContact O-CD 3.34Å; P97-P99 VanDerWaalsContact O-N 3.12Å; P99-L101 VanDerWaalsContact C-N 3.33Å; P99-L101 PolarHBondContact O-N 3.25Å
100V54.7Low60.2Low113 Ų113100.4 Ų100.469%0.68560%0.602SS**G310 helixtrans-71.1-23.8178.5-176.40000112.8D98 A102D98-V100 PolarHBondContact O-N 2.99Å; D98-V100 WeakPolarHBondContact OD1-CB 3.23Å; D98-V100 WeakPolarHBondContact OD1-CG2 3.49Å; D98-V100 PolarHBondContact OD1-N 3.23Å; D98-V100 VanDerWaalsContact OD1-N 3.14Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 2.99Å
101L53.4Low57.9Low155 Ų155106 Ų10681%0.81264%0.636SS**G310 helixtrans-90.713.9-178.1-77.7172000114.9D98 P99D98-L101 PolarHBondContact O-N 2.89Å; D98-L101 VanDerWaalsContact O-N 3.12Å; P99-L101 VanDerWaalsContact C-N 3.33Å; P99-L101 PolarHBondContact O-N 3.25Å
102A53.4Low55.7Low92 Ų92110.5 Ų110.576%0.7667%0.666SS**G310 helixtrans-87.5-5.4172.200000113.8V100 G104V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 2.99Å; A102-G104 PolarHBondContact O-N 3.38Å
103D46.4Very low52.8Low148 Ų148116.7 Ų116.779%0.79169%0.693SS**  trans-87.2100.8-176.5-149-41000112
104G37.3Very low49.9Very low58 Ų58123.5 Ų123.560%0.59872%0.723SS**  trans-144.1110.6175.700000109.2A102 H106A102-G104 PolarHBondContact O-N 3.38Å; G104-H106 PolarHBondContact O-N 2.59Å
105P53.6Low47Very low115 Ų115127.9 Ų127.975%0.74775%0.745SS**  trans-83.6108.9-154.929.7-36.4000114.2
106H43.1Very low44.8Very low194 Ų194128.9 Ų128.990%0.89875%0.748SS**  trans-144.2113.4162.5-85.3-62.6000113.1G104G104-H106 PolarHBondContact O-N 2.59Å
107G32.5Very low43.5Very low81 Ų81125.9 Ų125.984%0.83575%0.746SS**  trans81.880.7156.500000116.6
108A44.7Very low42.4Very low99 Ų99128.1 Ų128.182%0.81875%0.752SS**  trans-75.9138.7154.200000110
109E37Very low42.8Very low196 Ų196129.2 Ų129.292%0.91676%0.764SS**  -156.1159.3124.2-74.5-141.1100.800109
110D38.4Very low41.7Very low145 Ų145131.4 Ų131.478%0.77577%0.768SS**  trans-39.1143.2-166.6-104.5-144.4000119
111V48.4Very low40.5Very low118 Ų118129.2 Ų129.272%0.71577%0.767SS**  cis79.9142.132.7-179.10000112.6
112P50.1Low39.5Very low100 Ų100130.8 Ų130.865%0.64977%0.771SS**  cis-138.5177.6-38.640-22.3000115.1
113K34.5Very low38.5Very low192 Ų192133 Ų13384%0.83577%0.769SS**  trans171.4130.2136.6-92.1149.9-169168.90108.7
114K34.5Very low37.7Very low167 Ų167135.6 Ų135.673%0.72677%0.773SS**  66.5125.551.7-170.6170.6-179.4178.40110.4
115D31.3Very low37.3Very low131 Ų131136.8 Ų136.870%0.70179%0.785SS**  cis-115.8161.922.2-70-77.3000112.1
116T32.3Very low36.3Very low111 Ų111140.8 Ų140.868%0.68179%0.794SS**  cis95.8107.933.7-61.50000114.9
117C32Very low35.5Very low120 Ų120135.4 Ų135.481%0.81179%0.791SS**  trans79.6122.7160.1-670000123
118D30.1Very low35.4Very low153 Ų153135.2 Ų135.282%0.81879%0.789SS**  trans-74.9-167.8154.3-38.3-112.9000112.4
119P56.3Low34.8Very low113 Ų113137.7 Ų137.773%0.73479%0.794SS**  cis-131.3-158.2-25.923.32000112.9
120I32.3Very low34.5Very low159 Ų159133.1 Ų133.182%0.81579%0.79SS**  trans93.599.1156.3-51.4179.2000118.3
121G28.9Very low34.1Very low66 Ų66132 Ų13268%0.6879%0.793SS**  88.314699.600000121.1
122Q32.6Very low33.2Very low189 Ų189131.8 Ų131.888%0.88379%0.792SS**  trans74.8160.4173.7-56.9-168.546.500118
123L32.8Very low32.2Very low139 Ų139135.8 Ų135.873%0.72880%0.799SS**  cis-176.1132.6-39.5-177.196.2000107.3
124K29.3Very low32.2Very low201 Ų201135 Ų13587%0.87480%0.799SS**  trans66.3139162.1-117.3166.6178.2173.40117.7
125G29.5Very low32.1Very low83 Ų83132.2 Ų132.286%0.85680%0.801SS**  trans171.789.4174.900000110
126Q31.3Very low32.2Very low199 Ų199136.2 Ų136.293%0.9381%0.812SS**  trans-119.4131.6-172.1-174.6179.423.700109.9
127G26.7Very low32.2Very low81 Ų81134.8 Ų134.884%0.83582%0.819SS**  trans149.8118.8176.100000111.4
128G29.6Very low32.3Very low77 Ų77134.5 Ų134.579%0.79482%0.818SS**  trans-116149.1174.900000111.2
129V32Very low33Very low151 Ų151132.2 Ų132.292%0.91582%0.82SS**  trans-133.8145.8162-73.50000108.5
130A31.1Very low32.2Very low100 Ų100135.5 Ų135.583%0.82683%0.826SS**  trans-83.8152-176.500000112.2
131S30.1Very low32.7Very low122 Ų122139.4 Ų139.485%0.85383%0.831SS**  trans-144.5152.8156.7-168.60000109.7
132V31Very low33.3Very low113 Ų113142.2 Ų142.269%0.68584%0.837SS**  trans-132.3120.8-160.7165.60000110.3
133F27.6Very low33.6Very low184 Ų184137.3 Ų137.381%0.80783%0.829SS**  trans66.6164.1169.5-73.2-142.7000113.3
134Q34.8Very low34.6Very low175 Ų175137.4 Ų137.482%0.81884%0.838SS**  cis-146.3172.49.6-147.2166.811100112.7
135S32.1Very low35.4Very low110 Ų110131.8 Ų131.877%0.76984%0.837SS**  trans-84146.5-170.5-38.20000115.8
136K33.8Very low35.9Very low215 Ų215130.8 Ų130.894%0.93583%0.827SS**  -164.7150.4125.3-107.4165.1-174.2176.20110.5
137G33.3Very low36.9Very low81 Ų81126.3 Ų126.384%0.83582%0.823SS**  trans-108.1162-168.900000114.8
138S33.9Very low38.7Very low113 Ų113130.9 Ų130.979%0.7982%0.823SS**  trans-138.9148.1163.957.10000108.7
139A44.4Very low40.4Very low105 Ų105136.8 Ų136.887%0.86883%0.827SS**  trans-79.1129.2-177.200000111
140Q38.7Very low42.6Very low182 Ų182134.5 Ų134.585%0.8582%0.818SS**  trans-129142.4164.7-76.2-163.8-900112
141R43Very low45.3Very low241 Ų241133.1 Ų133.191%0.90980%0.802SS**PPolyproline II helixtrans-83.3118.8-178.4177.8-172.6-169171.52.8108.7A143R141-A143 PolarHBondContact O-N 3.2Å
142P41.4Very low48.3Very low125 Ų125137.9 Ų137.981%0.81280%0.801SS**PPolyproline II helixtrans-70.5127179.427.9-33.1000110.8
143A38.8Very low51.3Low86 Ų86136.6 Ų136.671%0.71179%0.791SS**PPolyproline II helixtrans-79.3153.8162.100000109.8R141 G145R141-A143 PolarHBondContact O-N 3.2Å; A143-G145 PolarHBondContact O-N 3.43Å; A143-G145 VanDerWaalsContact O-N 3.15Å
144P53.5Low54.5Low141 Ų141131.2 Ų131.292%0.91677%0.771SS**SBendtrans-73.4107.8-177.429.4-33.7000110.7
145G46.8Very low57.3Low83 Ų83128 Ų12886%0.85675%0.752SS**  trans-161.653.2-170.400000114.4A143A143-G145 PolarHBondContact O-N 3.43Å; A143-G145 VanDerWaalsContact O-N 3.15Å
146G40.3Very low60.3Low63 Ų63127.3 Ų127.365%0.64974%0.737SS**  trans173.8132.117200000113.7Q148G146-Q148 PolarHBondContact O-N 3.08Å
147A52.7Low63Low104 Ų104125.5 Ų125.586%0.8673%0.73SS**  trans-74.963.8172.500000111.2K149A147-K149 PolarHBondContact O-N 2.84Å; A147-K149 VanDerWaalsContact O-N 3.1Å
148Q63.5Low65.9Low177 Ų177124.7 Ų124.783%0.82771%0.711SS**  trans-60.6112.3165-73.4-68-70.700107.8G146 S150G146-Q148 PolarHBondContact O-N 3.08Å; Q148-S150 PolarHBondContact O-N 2.81Å
149K65.2Low68.7Low201 Ų201122.8 Ų122.887%0.87471%0.709SS**PPolyproline II helixtrans-56.4124.1174.5-59169.3-174.6174.30107.1A147 S151A147-K149 PolarHBondContact O-N 2.84Å; A147-K149 VanDerWaalsContact O-N 3.1Å; K149-S151 PolarHBondContact O-N 2.9Å
150S79.8Confident71.1Confident104 Ų104125.7 Ų125.773%0.72771%0.709SS**PPolyproline II helixtrans-53.5126.3-169.343.50000111.6Q148 D154Q148-S150 PolarHBondContact O-N 2.81Å; S150-D154 WeakPolarHBondContact CA-OD2 3.48Å
151S87.9Confident73.8Confident71 Ų71121.6 Ų121.650%0.49769%0.687SS.*PPolyproline II helixtrans-67144.6175.6-177.70000109K149 N153 D154K149-S151 PolarHBondContact O-N 2.9Å; S151-N153 PolarHBondContact O-N 2.7Å; S151-D154 WeakPolarHBondContact CB-OD1 3.44Å; S151-D154 PolarHBondContact N-OD2 2.89Å; S151-D154 PolarHBondContact O-N 3.08Å
152R92.9Very high76.2Confident221 Ų221114.8 Ų114.883%0.83468%0.676SS**THydrogen-bonded Turntrans-50.5-27.4179.7177174.2170.682.60.9112.9Y155R152-Y155 WeakPolarHBondContact O-CD1 3.15Å; R152-Y155 WeakPolarHBondContact O-CE1 3.26Å
153N94.1Very high78.8Confident86 Ų86114 Ų11446%0.4667%0.669SS.*THydrogen-bonded Turntrans-103.27.5-175.4-60.9-30.4000114.6S151 Y155 M156S151-N153 PolarHBondContact O-N 2.7Å; N153-Y155 PolarHBondContact O-N 3.31Å; N153-M156 WeakPolarHBondContact O-CB 3.19Å; N153-M156 PolarHBondContact O-N 3.38Å
154D94.1Very high81.4Confident72 Ų72115.9 Ų115.939%0.38566%0.662SS.*G310 helixtrans-62.4-28.1-179.8-72.4-20.9000112.5S150 S151 M156 K157 S158S150-D154 WeakPolarHBondContact CA-OD2 3.48Å; S151-D154 WeakPolarHBondContact CB-OD1 3.44Å; S151-D154 PolarHBondContact N-OD2 2.89Å; S151-D154 PolarHBondContact O-N 3.08Å; D154-M156 PolarHBondContact O-N 3.27Å; D154-K157 CarbonylContact O-C 3.57Å; D154-K157 WeakPolarHBondContact O-CA 3.47Å; D154-K157 PolarHBondContact O-N 3.1Å; D154-S158 PolarHBondContact O-N 3.17Å
155Y94.3Very high83.3Confident107 Ų107113.6 Ų113.642%0.4265%0.645SS.*G310 helixtrans-56-38.7171.874.6-85.2000112R152 N153 K157 S158 Y161R152-Y155 WeakPolarHBondContact O-CD1 3.15Å; R152-Y155 WeakPolarHBondContact O-CE1 3.26Å; N153-Y155 PolarHBondContact O-N 3.31Å; Y155-K157 PolarHBondContact O-N 3.35Å; Y155-S158 WeakPolarHBondContact O-CB 3.35Å; Y155-S158 PolarHBondContact O-N 3.14Å; Y155-S158 PolarHBondContact O-OG 3.44Å; Y155-Y161 HydrophobicContact CD2-CD1 4.4Å; Y155-Y161 AromaticContact CD2-CD2 3.65Å; Y155-Y161 HydrophobicContact CD2-CD2 3.65Å; Y155-Y161 HydrophobicContact CD2-CE2 4.18Å; Y155-Y161 AromaticContact CD2-CG 3.77Å; Y155-Y161 HydrophobicContact CD2-CG 3.77Å; Y155-Y161 HydrophobicContact CE2-CD1 4.34Å; Y155-Y161 AromaticContact CE2-CD2 3.7Å; Y155-Y161 HydrophobicContact CE2-CD2 3.7Å; Y155-Y161 HydrophobicContact CE2-CE1 4.36Å; Y155-Y161 AromaticContact CE2-CE2 3.74Å; Y155-Y161 HydrophobicContact CE2-CE2 3.74Å; Y155-Y161 HydrophobicContact CE2-CG 4.01Å; Y155-Y161 WeakPolarHBondContact O-CB 3.46Å
156M94.1Very high85.4Confident95 Ų95115.7 Ų115.747%0.46864%0.635SS.*G310 helixtrans-67.8-18.1176.7-65.4-157.6168.600113.7N153 D154 Y161N153-M156 WeakPolarHBondContact O-CB 3.19Å; N153-M156 PolarHBondContact O-N 3.38Å; D154-M156 PolarHBondContact O-N 3.27Å; M156-Y161 HydrophobicContact CB-CD1 4.06Å; M156-Y161 HydrophobicContact CB-CE1 4.48Å; M156-Y161 HydrophobicContact CE-CE1 3.79Å; M156-Y161 HydrophobicContact CG-CD1 3.73Å; M156-Y161 HydrophobicContact CG-CE1 3.76Å; M156-Y161 HydrophobicContact CG-CG 4.42Å; M156-Y161 HydrophobicContact SD-CE1 4.08Å
157K91.1Very high87.8Confident178 Ų178120.1 Ų120.177%0.77464%0.639SS**G310 helixtrans-100.8-8.7177.8-66.3179.9177.4-66.60113.3D154 Y155 G159D154-K157 CarbonylContact O-C 3.57Å; D154-K157 WeakPolarHBondContact O-CA 3.47Å; D154-K157 PolarHBondContact O-N 3.1Å; Y155-K157 PolarHBondContact O-N 3.35Å; K157-G159 PolarHBondContact O-N 2.92Å
158S93.3Very high89.5Confident64 Ų64118.9 Ų118.945%0.44862%0.624SS.*SBendtrans-68.1-13.8-175.168.50000115.5D154 Y155 L160D154-S158 PolarHBondContact O-N 3.17Å; Y155-S158 WeakPolarHBondContact O-CB 3.35Å; Y155-S158 PolarHBondContact O-N 3.14Å; Y155-S158 PolarHBondContact O-OG 3.44Å; S158-L160 PolarHBondContact O-N 3.43Å; S158-L160 VanDerWaalsContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 3Å; S158-L160 VanDerWaalsContact OG-N 3.11Å
159G93.3Very high90.5Very high73 Ų73116.2 Ų116.275%0.75362%0.615SS**SBendtrans73.6-11.7-168.100000114.6K157K157-G159 PolarHBondContact O-N 2.92Å
160L94.4Very high91.3Very high166 Ų166113.7 Ų113.787%0.86961%0.606SS**SBendtrans-88.7-19.3176-55.3178.5000112.7S158S158-L160 PolarHBondContact O-N 3.43Å; S158-L160 VanDerWaalsContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 3Å; S158-L160 VanDerWaalsContact OG-N 3.11Å
161Y95Very high91Very high95 Ų95111.9 Ų111.937%0.37360%0.598SS.*  trans-90.2124.4171.1-179.8-101.6000110.5Y155 M156Y155-Y161 HydrophobicContact CD2-CD1 4.4Å; Y155-Y161 AromaticContact CD2-CD2 3.65Å; Y155-Y161 HydrophobicContact CD2-CD2 3.65Å; Y155-Y161 HydrophobicContact CD2-CE2 4.18Å; Y155-Y161 AromaticContact CD2-CG 3.77Å; Y155-Y161 HydrophobicContact CD2-CG 3.77Å; Y155-Y161 HydrophobicContact CE2-CD1 4.34Å; Y155-Y161 AromaticContact CE2-CD2 3.7Å; Y155-Y161 HydrophobicContact CE2-CD2 3.7Å; Y155-Y161 HydrophobicContact CE2-CE1 4.36Å; Y155-Y161 AromaticContact CE2-CE2 3.74Å; Y155-Y161 HydrophobicContact CE2-CE2 3.74Å; Y155-Y161 HydrophobicContact CE2-CG 4.01Å; Y155-Y161 WeakPolarHBondContact O-CB 3.46Å; M156-Y161 HydrophobicContact CB-CD1 4.06Å; M156-Y161 HydrophobicContact CB-CE1 4.48Å; M156-Y161 HydrophobicContact CE-CE1 3.79Å; M156-Y161 HydrophobicContact CG-CD1 3.73Å; M156-Y161 HydrophobicContact CG-CE1 3.76Å; M156-Y161 HydrophobicContact CG-CG 4.42Å; M156-Y161 HydrophobicContact SD-CE1 4.08Å
162S94.7Very high90.2Very high98 Ų98113.8 Ų113.869%0.68561%0.608SS**  trans-123.6147.6169.5-1750000109.3
163T94.6Very high88.7Confident109 Ų109109.4 Ų109.467%0.66961%0.608SS**  trans-124.7136.2178.6-175.20000110.1
164F93.1Very high87.1Confident126 Ų126110.4 Ų110.455%0.55361%0.614SS**  trans-145.7153179.560.5-93000109.4L169F164-L169 HydrophobicContact CD2-CD1 4.04Å; F164-L169 HydrophobicContact CD2-CD2 4.22Å; F164-L169 HydrophobicContact CD2-CG 3.97Å; F164-L169 HydrophobicContact CE2-CD1 3.54Å; F164-L169 HydrophobicContact CE2-CD2 4.38Å; F164-L169 HydrophobicContact CE2-CG 4.01Å; F164-L169 HydrophobicContact CZ-CD1 4.28Å
165T93.3Very high85.1Confident93 Ų93113 Ų11357%0.57164%0.635SS**  trans-86.7149.2168.3630000109.5Q167 S168T165-Q167 PolarHBondContact O-N 3.36Å; T165-S168 WeakPolarHBondContact O-CA 3.31Å; T165-S168 VanDerWaalsContact O-CB 3.23Å; T165-S168 WeakPolarHBondContact O-CB 3.48Å; T165-S168 PolarHBondContact O-N 2.84Å; T165-S168 PolarHBondContact OG1-N 3.22Å
166I91.9Very high83.4Confident126 Ų126117.2 Ų117.265%0.64665%0.65SS**G310 helixtrans-57.5-34.1178.1-61.1169.4000110.9S168 L169I166-S168 VanDerWaalsContact C-N 3.27Å; I166-S168 PolarHBondContact O-N 2.7Å; I166-L169 WeakPolarHBondContact O-CB 3.37Å; I166-L169 PolarHBondContact O-N 3.13Å; I166-L169 VanDerWaalsContact O-N 3.1Å
167Q90.8Very high81.1Confident156 Ų156117.8 Ų117.873%0.72966%0.661SS**G310 helixtrans-63.6-29.3175.5-16317329.100113T165 L169 Q170 A171T165-Q167 PolarHBondContact O-N 3.36Å; Q167-L169 PolarHBondContact O-N 3.1Å; Q167-Q170 PolarHBondContact O-N 3.08Å; Q167-Q170 VanDerWaalsContact O-N 3.08Å; Q167-A171 PolarHBondContact O-N 2.75Å
168S87.5Confident79Confident78 Ų78117.3 Ų117.355%0.54567%0.665SS.*G310 helixtrans-67.9-15.6174.7-169.20000113.5T165 I166T165-S168 WeakPolarHBondContact O-CA 3.31Å; T165-S168 VanDerWaalsContact O-CB 3.23Å; T165-S168 WeakPolarHBondContact O-CB 3.48Å; T165-S168 PolarHBondContact O-N 2.84Å; T165-S168 PolarHBondContact OG1-N 3.22Å; I166-S168 VanDerWaalsContact C-N 3.27Å; I166-S168 PolarHBondContact O-N 2.7Å
169L84.9Confident76.5Confident122 Ų122122.4 Ų122.464%0.63968%0.679SS**G310 helixtrans-91.2-14.2172-57.5-178.1000113F164 I166 Q167F164-L169 HydrophobicContact CD2-CD1 4.04Å; F164-L169 HydrophobicContact CD2-CD2 4.22Å; F164-L169 HydrophobicContact CD2-CG 3.97Å; F164-L169 HydrophobicContact CE2-CD1 3.54Å; F164-L169 HydrophobicContact CE2-CD2 4.38Å; F164-L169 HydrophobicContact CE2-CG 4.01Å; F164-L169 HydrophobicContact CZ-CD1 4.28Å; I166-L169 WeakPolarHBondContact O-CB 3.37Å; I166-L169 PolarHBondContact O-N 3.13Å; I166-L169 VanDerWaalsContact O-N 3.1Å; Q167-L169 PolarHBondContact O-N 3.1Å
170Q81.6Confident74.6Confident147 Ų147124.3 Ų124.369%0.68768%0.681SS**THydrogen-bonded Turntrans-101.8-7.6-175.7-63.2179.19.300113Q167Q167-Q170 PolarHBondContact O-N 3.08Å; Q167-Q170 VanDerWaalsContact O-N 3.08Å
171A74.9Confident72Confident67 Ų67123.9 Ų123.955%0.55467%0.674SS**SBendtrans-63124.7170.300000109.5Q167Q167-A171 PolarHBondContact O-N 2.75Å
172P70.8Confident69.8Low110 Ų110126.5 Ų126.571%0.71469%0.694SS**  trans-60.9145.3174.726.2-33.9000109.6N174P172-N174 PolarHBondContact O-N 2.67Å
173P61.6Low66.8Low129 Ų129128 Ų12884%0.83869%0.694SS**  trans-62.4102.8-17625.4-34.2000110.1P175P173-P175 VanDerWaalsContact O-CD 3.28Å; P173-P175 WeakPolarHBondContact O-CD 3.28Å
174N59.7Low64.1Low108 Ų108129.7 Ų129.758%0.57870%0.698SS**  trans-68.3114.8-179.3-172.5-37.9000108.6P172 R176P172-N174 PolarHBondContact O-N 2.67Å; N174-R176 PolarHBondContact O-N 2.74Å; N174-R176 WeakPolarHBondContact OD1-CG 3.3Å
175P53.1Low61.1Low126 Ų126131.8 Ų131.882%0.81871%0.709SS**  trans-79.962.1-171.334.5-36.5000111.2P173P173-P175 VanDerWaalsContact O-CD 3.28Å; P173-P175 WeakPolarHBondContact O-CD 3.28Å
176R57.2Low58.3Low195 Ų195133.1 Ų133.174%0.73672%0.719SS**  trans-80.9126.7167.9-52.7-161.4-165.6-179.68.2108.4N174 I178N174-R176 PolarHBondContact O-N 2.74Å; N174-R176 WeakPolarHBondContact OD1-CG 3.3Å; R176-I178 PolarHBondContact O-N 3.13Å
177P46.4Very low55.3Low107 Ų107133.8 Ų133.870%0.69573%0.725SS**  trans-63137.5176.726.4-33.8000110.1K179P177-K179 PolarHBondContact O-N 3.31Å
178I46.3Very low52.9Low168 Ų168131.5 Ų131.586%0.86272%0.723SS**  trans-67.297175.4-61.6168.7000108R176R176-I178 PolarHBondContact O-N 3.13Å
179K42.2Very low50.2Low171 Ų171132.5 Ų132.574%0.74374%0.736SS**  trans-85.8106.7164.3-76.2-168.9174.4-173.10108.7P177 E181P177-K179 PolarHBondContact O-N 3.31Å; K179-E181 PolarHBondContact O-N 3.04Å
180S52.6Low47.9Very low113 Ų113132.3 Ų132.379%0.7974%0.742SS**  trans-71.576.6165.335.70000110.1L182S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.38Å
181E40.5Very low45.5Very low157 Ų157135 Ų13573%0.73475%0.752SS**  trans-70.689.7171.4-81-15879.900111.3K179 L183K179-E181 PolarHBondContact O-N 3.04Å; E181-L183 PolarHBondContact O-N 3.3Å
182L47.2Very low43.4Very low151 Ų151136.7 Ų136.779%0.79177%0.766SS**  trans-68.380.4156.2-177100.1000108.7S180 L184S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.38Å; L182-L184 HydrophobicContact CD2-CD1 4.28Å; L182-L184 HydrophobicContact CD2-CG 4.41Å; L182-L184 PolarHBondContact O-N 3.13Å
183L32Very low41.5Very low129 Ų129143.5 Ų143.568%0.67578%0.777SS**  trans-74.287.4-178.5-153.2-176.6000110.8E181 Q185E181-L183 PolarHBondContact O-N 3.3Å; L183-Q185 HydrophobicContact CD2-CB 4.38Å; L183-Q185 PolarHBondContact O-N 2.96Å
184L37.6Very low40Very low145 Ų145145.9 Ų145.976%0.75978%0.777SS**  trans-65.9110.9160.3-85.7164000109L182 P186L182-L184 HydrophobicContact CD2-CD1 4.28Å; L182-L184 HydrophobicContact CD2-CG 4.41Å; L182-L184 PolarHBondContact O-N 3.13Å; L184-P186 WeakPolarHBondContact O-CD 3.31Å
185Q30.6Very low38.6Very low169 Ų169147.1 Ų147.179%0.7979%0.788SS**PPolyproline II helixtrans-85.2121.3177.5177.4-178.87500111.1L183L183-Q185 HydrophobicContact CD2-CB 4.38Å; L183-Q185 PolarHBondContact O-N 2.96Å
186P35.2Very low37.2Very low121 Ų121152.2 Ų152.279%0.78679%0.791SS**PPolyproline II helixtrans-99.6124.6166.134.5-25.7000110.9L184L184-P186 WeakPolarHBondContact O-CD 3.31Å
187D29.4Very low37Very low141 Ų141148.1 Ų148.175%0.75479%0.789SS**PPolyproline II helixtrans-94.7146.8173.9-161.7-111.7000110.4
188P39.4Very low36.1Very low108 Ų108149.2 Ų149.270%0.70179%0.789SS**PPolyproline II helixtrans-74.6147.6-170.628.4-34.4000114.5
189A31.4Very low35.5Very low99 Ų99148 Ų14882%0.81878%0.78SS**PPolyproline II helixtrans-74.6157.2-169.700000115.5
190P37.3Very low34.8Very low118 Ų118147.6 Ų147.677%0.76678%0.78SS**  trans-109.4127.8146.634.2-27.5000112.9
191K30.2Very low33.7Very low203 Ų203147.4 Ų147.488%0.88378%0.778SS**  trans45.790.4151.8-68.5178.4177175.90118.8
192A30.4Very low33.1Very low103 Ų103144.8 Ų144.885%0.85178%0.777SS**  trans11.8119.2134.700000118.9
193R32.3Very low32.4Very low253 Ų253143 Ų14396%0.95578%0.777SS**  trans-140136.8131.3-142.5169.3-175.7165.2-0.2112
194E29.1Very low32.4Very low179 Ų179142.1 Ų142.184%0.83678%0.782SS**  trans-59.7142.2-175.8-171.217499.200114.5
195V29.7Very low32.3Very low133 Ų133138.9 Ų138.981%0.80678%0.777SS**  167141.7127.4156.90000110.6
196R25.2Very low32.4Very low234 Ų234142.7 Ų142.788%0.88378%0.784SS**  trans-121.5176.3172.4-88.5-175.9173.1142.8-6.9108.1
197P51.8Low32.3Very low108 Ų108141.4 Ų141.470%0.70178%0.784SS**  cis-124.6-116.3-44.536.9-22.1000110
198L27.5Very low32.2Very low131 Ų131138.5 Ų138.569%0.68679%0.786SS**  trans75.9142.2-177.5-71.571.5000114.7
199H34.4Very low31.6Very low143 Ų143136.7 Ų136.766%0.66279%0.788SS**  cis-159.8172-8.2-119.2174.7000111.8
200H27.2Very low31.5Very low161 Ų161137 Ų13775%0.74579%0.79SS**  trans53.1132.7161.155.6-124.7000119.6
201S28.6Very low31.2Very low109 Ų109137.6 Ų137.676%0.76279%0.792SS**  cis70.6134.646.6-55.70000112.8
202S29.8Very low31.2Very low102 Ų102135 Ų13571%0.71379%0.788SS**  cis-174.9165.6-1.5420000111.9
203S32Very low31.4Very low113 Ų113134.5 Ų134.579%0.7978%0.777SS**  trans71.5162.2161.687.10000115.6
204S31.9Very low31.5Very low111 Ų111130.9 Ų130.978%0.77678%0.776SS**  cis-162.5162.9-4.3-123.10000107.5
205A35.1Very low31.7Very low78 Ų78130.7 Ų130.765%0.64578%0.775SS**  cis-161.6169.8-2.600000111
206R32.8Very low31.6Very low248 Ų248132.7 Ų132.794%0.93678%0.78SS**  trans15.8146.3144.2-69.3172.2164.3173.9-7120.2
207A32.4Very low31.8Very low95 Ų95125.7 Ų125.779%0.78577%0.773SS**  cis-146.4170.87.200000109.1
208G27.8Very low30.7Very low79 Ų79125.5 Ų125.581%0.81478%0.78SS**  cis97.8125.216.600000111.6
209G26.7Very low31Very low71 Ų71128.6 Ų128.673%0.73279%0.791SS**  cis159.6152.1-6.900000112.9
210A29.1Very low30.7Very low105 Ų105126.7 Ų126.787%0.86880%0.8SS**  trans62.3162.7-179.300000114.9
211V32.4Very low30.9Very low131 Ų131124.1 Ų124.179%0.79480%0.801SS**  cis-133.6144.313.8-74.90000109.5
212D30Very low31.5Very low149 Ų149125 Ų12580%0.79780%0.803SS**  76.6150.481.9-140.8-79.9000116.6
213S34.8Very low31.7Very low91 Ų91130.7 Ų130.764%0.63681%0.809SS**  trans-42.9152-168.4-40.90000119
214L33.2Very low32.4Very low177 Ų177131.3 Ų131.393%0.92781%0.811SS**  -168.1163.5112.9-105.6170.8000113.8
215Q33.9Very low32.2Very low176 Ų176129.9 Ų129.982%0.82281%0.805SS**  trans-140.6126.1-177.1170.5-172.93.200109.4
216L27.9Very low32.7Very low174 Ų174132 Ų13291%0.91181%0.813SS**  trans-161.4158.1148-15948.7000113.4
217A28.7Very low32.5Very low88 Ų88124.8 Ų124.873%0.72781%0.806SS**  trans-82.3171.9-168.500000116.5
218A28.7Very low32.5Very low104 Ų104128.3 Ų128.386%0.8681%0.81SS**  trans-138.4140.4144.600000109.9
219Q32.9Very low32.7Very low196 Ų196129.6 Ų129.692%0.91681%0.807SS**  trans-102.1153.4169.5-62.1-178.99.900110.1
220A29.4Very low34Very low103 Ų103131.9 Ų131.985%0.85181%0.809SS**  trans-166.5143.313600000111.9
221S30.4Very low34Very low107 Ų107135.9 Ų135.975%0.74881%0.81SS**  trans-105155.5153.2-153.60000107.1
222P42.6Very low33.9Very low126 Ų126134 Ų13482%0.81881%0.808SS**  -144.6173.381.435.6-16.9000115.8
223R33.7Very low34Very low222 Ų222131.6 Ų131.684%0.83881%0.809SS**  trans-94.9165.9171.7-131.1175.7-170.8175.62.2109.4
224P45.4Very low33.8Very low127 Ų127131.5 Ų131.583%0.82581%0.814SS**  -144.317979.336.9-18.1000116
225A29.1Very low33.6Very low80 Ų80128.2 Ų128.266%0.66181%0.805SS**  trans-93.5-167.9-178.400000110.9
226P45.3Very low33.2Very low124 Ų124125.4 Ų125.481%0.80580%0.804SS**  cis-130.8157.441.938.4-21.5000116.9
227A28.8Very low33.3Very low95 Ų95125.7 Ų125.779%0.78580%0.801SS**  trans-125150.7152.800000107.7
228L32.3Very low33.4Very low169 Ų169126.5 Ų126.589%0.88580%0.801SS**  trans-89.4152.2-173-71.8168.9000113.4
229S32.3Very low33.6Very low107 Ų107129.2 Ų129.275%0.74880%0.796SS**  trans-142-178.4174.6-67.70000105.6
230P53.2Low33.6Very low119 Ų119128 Ų12877%0.77379%0.79SS**  cis-128.9-163.612.731.3-4.3000111.5
231Q29.1Very low33.6Very low189 Ų189130.5 Ų130.588%0.88379%0.789SS**  cis-145.4162.326.1-65.4179.7-94.800115.4
232A31.2Very low33.9Very low92 Ų92131.7 Ų131.776%0.7679%0.786SS**  trans-92.2-164.2161.400000109.8
233A30.7Very low33.9Very low97 Ų97131.4 Ų131.480%0.80279%0.785SS**  cis-170.2178.817.800000108.6
234A31.8Very low33.9Very low90 Ų90126.2 Ų126.274%0.74478%0.778SS**  cis-171.6162.7-38.200000110
235S27.7Very low33.8Very low107 Ų107125.8 Ų125.875%0.74878%0.775SS**  trans45.3119.3158.2-70.60000123.9
236C26.9Very low34.6Very low118 Ų118127.7 Ų127.780%0.79778%0.781SS**  81.8146.8128-62.40000124
237Q29.5Very low34.1Very low180 Ų180128 Ų12884%0.84178%0.78SS**  trans103.2103.4157.5-55.5-1598.800120.9
238S30.6Very low34.2Very low105 Ų105128.8 Ų128.873%0.73478%0.78SS**  58.6119.7120.6-53.40000124.9
239Q31.9Very low34.2Very low160 Ų160128 Ų12875%0.74878%0.777SS**  trans86.6135.7133.8-89.7-16865.300123.8
240Q34.4Very low34.5Very low170 Ų170127 Ų12779%0.79477%0.767SS**  trans65.8135.3161.6-58.3174.341.500115.9
241N28.8Very low34Very low157 Ų157127.6 Ų127.684%0.8477%0.771SS**  cis-150.6175.930.5-165.79.2000112.3
242L35.8Very low34.3Very low131 Ų131126.1 Ų126.169%0.68676%0.764SS**  trans-124160.2179.1-148.882000111.7T244L242-T244 HydrophobicContact CD2-CG2 4.34Å
243P43.4Very low34.5Very low120 Ų120129 Ų12978%0.77977%0.765SS**  -144.4168.490.731.5-10.9000117.7
244T32.7Very low34.7Very low114 Ų114134 Ų13470%0.69977%0.765SS**  trans-55.4170.8174.230.10000116.4L242L242-T244 HydrophobicContact CD2-CG2 4.34Å
245P43.3Very low34.8Very low118 Ų118137.2 Ų137.277%0.76677%0.768SS**  cis-147.4-159.145.150.3-28000115.9
246P46.8Very low35.1Very low120 Ų120138.8 Ų138.878%0.77977%0.773SS**  -137.7-165.9-105.839.4-14.9000116.8
247V35.5Very low35.3Very low130 Ų130138.7 Ų138.779%0.78877%0.774SS**  trans-93.5151.1-176.3173.20000112.9
248S30.4Very low35.5Very low112 Ų112137 Ų13778%0.78378%0.776SS**  trans171.7114.3132.7-750000116.6
249D32.2Very low35.6Very low153 Ų153135.6 Ų135.682%0.81878%0.778SS**  61.9-174.6124.3-115.6-41.9000121.9
250P39Very low35.6Very low85 Ų85135.1 Ų135.155%0.55278%0.78SS**  -114.4169.5-126.543-30.4000116H252P250-H252 PolarHBondContact O-N 2.86Å
251P42.9Very low35.6Very low131 Ų131132.5 Ų132.585%0.85178%0.781SS**PPolyproline II helixtrans-68.9123.8179.627.2-35.3000113.6
252H35.4Very low35.9Very low159 Ų159136.1 Ų136.174%0.73678%0.783SS**PPolyproline II helixtrans-74.2145.8174.8-96.6-109.4000113.4P250 Y254P250-H252 PolarHBondContact O-N 2.86Å; H252-Y254 HydrophobicContact CB-CD2 4.47Å; H252-Y254 HydrophobicContact CB-CE2 4.02Å
253I34.5Very low36.8Very low151 Ų151134.2 Ų134.277%0.77478%0.778SS**PPolyproline II helixtrans-76.4134.6166.6-64.8176000109.7L255I253-L255 HydrophobicContact CG2-CD1 4.08Å
254Y34.3Very low36.4Very low204 Ų204137.6 Ų137.680%0.878%0.781SS**  trans-123.7120.1164.7-76.9-86.9000110.7H252H252-Y254 HydrophobicContact CB-CD2 4.47Å; H252-Y254 HydrophobicContact CB-CE2 4.02Å
255L34.2Very low36.6Very low157 Ų157136.5 Ų136.582%0.82278%0.784SS**  trans-99138.1157.1-98.176.1000108.7I253I253-L255 HydrophobicContact CG2-CD1 4.08Å
256T33.6Very low37.2Very low139 Ų139136.3 Ų136.385%0.85378%0.782SS**  trans-156.7144.5157.4-77.70000107.7
257S32.2Very low36.4Very low117 Ų117138.2 Ų138.282%0.81879%0.785SS**  trans-143.6118.7-169.9-178.60000111.7
258V33.9Very low36.6Very low145 Ų145139.4 Ų139.488%0.87979%0.787SS**  trans-175.2152.6163.4-95.70000106.1
259G32.7Very low37.3Very low75 Ų75139.4 Ų139.477%0.77378%0.784SS**  cis-170167.3-3.100000109.4
260D31.7Very low37.5Very low149 Ų149139.8 Ų139.880%0.79779%0.785SS**  trans-83.9150.3-169.1-157.3-21.9000114
261S33.6Very low37.3Very low116 Ų116140 Ų14081%0.81179%0.794SS**  trans162.8147.2141.2-750000114
262R36Very low37.6Very low232 Ų232139.2 Ų139.288%0.87579%0.789SS**  trans-103-161.4177.3-49.3174.8176.1174-3.6109.9
263P54.9Low37.4Very low91 Ų91138 Ų13859%0.59180%0.796SS**  cis-136.5-176.7-12.738.6-18.9000114.9
264F33.7Very low37.4Very low191 Ų191134.8 Ų134.884%0.83880%0.801SS**  169.1110.6117-94.3-66000115.4
265A37.8Very low37.3Very low91 Ų91129.2 Ų129.275%0.75281%0.805SS**  trans40.6153.3134.900000125.3
266P55.9Low37.4Very low114 Ų114134.1 Ų134.174%0.7481%0.813SS**  trans-115.1-165.6-178.645-34.1000113.7
267L30.4Very low37.4Very low161 Ų161131 Ų13184%0.84381%0.808SS**  -173.9176.6124.1-100170.9000115.8
268L40.4Very low38.3Very low155 Ų155131.9 Ų131.981%0.81281%0.811SS**  trans-92.1-165.1-174.1-68.3167.6000111.2
269P44.7Very low38.3Very low111 Ų111128.2 Ų128.272%0.72180%0.803SS**  cis-151.8173.912.946-24.1000121.9
270L35.4Very low38.5Very low162 Ų162130.5 Ų130.585%0.84881%0.807SS**  trans8.9126.3145.6-60.6163.6000123.7
271A35.6Very low38.8Very low89 Ų89129.6 Ų129.674%0.73681%0.807SS**  60178.7126.700000119.9
272P48.4Very low39.6Very low114 Ų114129.3 Ų129.374%0.7480%0.803SS**  cis-136.7-162.2-2.841.8-21.7000115.9
273C32.6Very low39.6Very low133 Ų133125.9 Ų125.990%0.89980%0.801SS**  trans82.8154.5162.7-65.90000119.8
274G32.5Very low38.6Very low85 Ų85124 Ų12488%0.87680%0.799SS**  trans-152.1-177.9-17500000114
275G33.1Very low39.8Very low86 Ų86121.2 Ų121.289%0.88780%0.8SS**  trans-147.1175.2-173.300000114
276R35.9Very low40.2Very low260 Ų260122.7 Ų122.798%0.98180%0.802SS**  trans-133.8133.4-160.5179.3-176.8-175.5-1187112.9
277G33.3Very low39.6Very low73 Ų73120.8 Ų120.875%0.75380%0.803SS**  trans-173.7126.9172.300000113
278P51.9Low40.1Very low137 Ų137119.3 Ų119.389%0.8980%0.803SS**  trans-112.4165.9-17540.4-33.3000114.9
279G33.2Very low39.8Very low68 Ų68119 Ų11970%0.70180%0.801SS**  trans-165.9115.9171.300000115.6
280S37.7Very low39.7Very low122 Ų122120.6 Ų120.685%0.85380%0.803SS**  trans29.8123.3149.255.80000122.7
281T38.2Very low39.7Very low131 Ų131120.4 Ų120.480%0.80480%0.803SS**  trans-76.4179.6143.356.30000110.3
282P50.9Low39.8Very low110 Ų110122.8 Ų122.871%0.71480%0.803SS**  cis-136.7-155.54.640.4-18.5000114.3
283D35.1Very low39.2Very low159 Ų159121.1 Ų121.185%0.8580%0.799SS**  trans95.7152.9144.5-125-75.1000122.4
284G33.9Very low39.8Very low52 Ų52119.7 Ų119.754%0.53679%0.788SS.*  trans74.3101.4150.400000120.7
285P57.8Low40.3Very low132 Ų132121.9 Ų121.986%0.85779%0.787SS**  trans-86.4140.8160.734.5-31.5000112.2
286P46.3Very low40.5Very low123 Ų123126 Ų12680%0.79978%0.783SS**  trans-123.2130.614934-23.3000111.1
287G43.6Very low40.9Very low74 Ų74118.2 Ų118.276%0.76377%0.766SS**PPolyproline II helixtrans-83.2150.5167.900000111.5
288P41.3Very low41.3Very low130 Ų130121 Ų12184%0.84477%0.768SS**PPolyproline II helixtrans-88.4134.2167.8-3.923.1000111.8
289L34.3Very low40.9Very low148 Ų148122.9 Ų122.978%0.77576%0.763SS**PPolyproline II helixtrans-66.7159.9155.1179.3129.9000109.9
290L42.9Very low41.6Very low145 Ų145125.2 Ų125.276%0.75976%0.763SS**  trans-12.4138.2161.3-52.3166.1000114.9
291D34.4Very low41.9Very low157 Ų157126.6 Ų126.684%0.8476%0.759SS**  -166-176.774.3-158.2-151.2000115.2
292D38Very low42.4Very low139 Ų139127.1 Ų127.174%0.74376%0.756SS**  trans-40.7143.3-175-164.8-107.3000119.6
293A35.6Very low42Very low80 Ų80128.4 Ų128.466%0.66176%0.756SS**  trans-153.7140.4160.700000112
294P45.1Very low42.9Very low103 Ų103125.8 Ų125.867%0.66975%0.748SS**PPolyproline II helixtrans-74.5160.4-171.429-36.1000114.8H296P294-H296 PolarHBondContact O-N 3.27Å
295P44.7Very low43.6Very low131 Ų131128.7 Ų128.785%0.85176%0.76SS**PPolyproline II helixtrans-70.8121.5-165.727.1-35.8000114.3
296H36.7Very low43.8Very low171 Ų171128 Ų12879%0.79276%0.756SS**PPolyproline II helixtrans-72.3141.7164.2-61.9-48.8000111.1P294 V298P294-H296 PolarHBondContact O-N 3.27Å; H296-V298 PolarHBondContact O-N 3.11Å
297P44.2Very low44.5Very low98 Ų98127.3 Ų127.364%0.63675%0.751SS**PPolyproline II helixtrans-67.8126.8177.927.6-34000111F299P297-F299 HydrophobicContact CG-CD2 4.46Å; P297-F299 HydrophobicContact CG-CE2 3.94Å; P297-F299 PolarHBondContact O-N 2.9Å
298V41.7Very low44.8Very low132 Ų132130 Ų13080%0.876%0.755SS**  trans-71.796.6175.3-179.50000109.4H296 V300H296-V298 PolarHBondContact O-N 3.11Å; V298-V300 PolarHBondContact O-N 2.87Å
299F43.2Very low45.1Very low176 Ų176133 Ų13377%0.77276%0.758SS**  trans-68.6101.4168.1-78.1-84.6000109.8P297 I301P297-F299 HydrophobicContact CG-CD2 4.46Å; P297-F299 HydrophobicContact CG-CE2 3.94Å; P297-F299 PolarHBondContact O-N 2.9Å; F299-I301 PolarHBondContact O-N 3Å
300V48.9Very low46.1Very low116 Ų116130 Ų13070%0.70376%0.755SS**  trans-68.699.1168.3-177.10000108.1V298 I302V298-V300 PolarHBondContact O-N 2.87Å; V300-I302 VanDerWaalsContact C-N 3.25Å; V300-I302 HydrophobicContact CG1-CG1 3.9Å; V300-I302 PolarHBondContact O-N 2.72Å
301I43.8Very low46.7Very low151 Ų151128.6 Ų128.677%0.77475%0.754SS**  trans-7089.3168.4-59.2178.1000107.3F299 N303F299-I301 PolarHBondContact O-N 3Å; I301-N303 VanDerWaalsContact C-N 3.25Å; I301-N303 PolarHBondContact O-N 3.43Å
302I48.8Very low47.5Very low143 Ų143127.1 Ų127.173%0.73375%0.753SS**  trans-67.992166.2-57.5179000106.4V300 P304V300-I302 VanDerWaalsContact C-N 3.25Å; V300-I302 HydrophobicContact CG1-CG1 3.9Å; V300-I302 PolarHBondContact O-N 2.72Å; I302-P304 VanDerWaalsContact O-CD 3.27Å; I302-P304 WeakPolarHBondContact O-CD 3.45Å
303N42.8Very low47.8Very low136 Ų136125.5 Ų125.573%0.72775%0.753SS**  trans-66.2112.3177.2-165.913000108.3I301 S305I301-N303 VanDerWaalsContact C-N 3.25Å; I301-N303 PolarHBondContact O-N 3.43Å; N303-S305 PolarHBondContact O-N 3.31Å
304P53.7Low48.1Very low105 Ų105127.4 Ų127.468%0.68276%0.759SS**PPolyproline II helixtrans-66.4129-174.527.2-33.8000109.7I302I302-P304 VanDerWaalsContact O-CD 3.27Å; I302-P304 WeakPolarHBondContact O-CD 3.45Å
305S47.7Very low47.9Very low112 Ų112128.4 Ų128.478%0.78376%0.762SS**PPolyproline II helixtrans-58.3137.5174-54.80000110N303N303-S305 PolarHBondContact O-N 3.31Å
306P61.8Low47.8Very low117 Ų117128.7 Ų128.776%0.7676%0.761SS**PPolyproline II helixtrans-60.9142.717925.8-34.1000110.2
307P62Low48Very low109 Ų109127.5 Ų127.571%0.70876%0.759SS**PPolyproline II helixtrans-62.7149.8178.527.2-34.7000110.8Q309P307-Q309 PolarHBondContact O-N 3.09Å
308P49.6Very low47.8Very low130 Ų130130.1 Ų130.184%0.84476%0.761SS**PPolyproline II helixtrans-61125.9179.625.8-34.1000110.3
309Q46.5Very low48.3Very low193 Ų193132.3 Ų132.390%0.90276%0.762SS**PPolyproline II helixtrans-65.6136.5175-72.2-173.8-23.300110.4P307P307-Q309 PolarHBondContact O-N 3.09Å
310A57.2Low48.5Very low86 Ų86131.2 Ų131.271%0.71176%0.759SS**PPolyproline II helixtrans-64.4149.2170.300000110.4
311P53.9Low48.4Very low115 Ų115132.9 Ų132.975%0.74777%0.765SS**PPolyproline II helixtrans-61.7143.9175.327.3-35000110.6
312P52.4Low48.4Very low127 Ų127133 Ų13383%0.82577%0.766SS**PPolyproline II helixtrans-64.3139.2178.227-34.2000111.1
313S43.7Very low48.4Very low104 Ų104129.3 Ų129.373%0.72775%0.751SS**PPolyproline II helixtrans-55.1146.9173-540000111.4V315S313-V315 PolarHBondContact O-N 3.4Å
314P41.9Very low49.1Very low121 Ų121125.9 Ų125.979%0.78674%0.738SS**PPolyproline II helixtrans-60.7127.4177.925.8-34.2000110.4V316P314-V316 PolarHBondContact O-N 3.14Å; P314-V316 VanDerWaalsContact O-N 3.16Å
315V41.6Very low49.4Very low123 Ų123128.8 Ų128.875%0.74574%0.742SS**  trans-67.8113.3174.3-179.20000108.2S313 I317S313-V315 PolarHBondContact O-N 3.4Å; V315-I317 HydrophobicContact CB-CG1 4.49Å; V315-I317 HydrophobicContact CG1-CG1 3.85Å; V315-I317 PolarHBondContact O-N 2.98Å
316V42.1Very low50Low137 Ų137130 Ų13083%0.8374%0.736SS**  trans-71.688.6165.3179.90000107.2P314 K318P314-V316 PolarHBondContact O-N 3.14Å; P314-V316 VanDerWaalsContact O-N 3.16Å; V316-K318 PolarHBondContact O-N 3.23Å; V316-K318 VanDerWaalsContact O-N 3.08Å
317I41.3Very low49.8Very low146 Ų146129.6 Ų129.675%0.74972%0.724SS**  trans-67.9106166.8-58.4-180000106.1V315 E319V315-I317 HydrophobicContact CB-CG1 4.49Å; V315-I317 HydrophobicContact CG1-CG1 3.85Å; V315-I317 PolarHBondContact O-N 2.98Å; I317-E319 PolarHBondContact O-N 3.17Å
318K39.2Very low49.8Very low154 Ų154128.6 Ų128.667%0.6771%0.712SS**  trans-62.5125.6170.9177.4-174169-155.30108V316 E320V316-K318 PolarHBondContact O-N 3.23Å; V316-K318 VanDerWaalsContact O-N 3.08Å; K318-E320 IonicContact NZ-OE2 3.75Å; K318-E320 PolarHBondContact NZ-OE2 3.49Å; K318-E320 PolarHBondContact O-N 2.82Å; K318-E320 VanDerWaalsContact O-N 3.16Å
319E52.3Low50.4Low178 Ų178128 Ų12883%0.83270%0.701SS**  trans-61116.1169.3-82.6-162.2109.300110.2I317I317-E319 PolarHBondContact O-N 3.17Å
320E47.8Very low51.2Low152 Ų152124.7 Ų124.771%0.7169%0.686SS**  trans-157.1130.7152.5-136.2172.1115.200108K318K318-E320 IonicContact NZ-OE2 3.75Å; K318-E320 PolarHBondContact NZ-OE2 3.49Å; K318-E320 PolarHBondContact O-N 2.82Å; K318-E320 VanDerWaalsContact O-N 3.16Å
321N47.3Very low51Low152 Ų152125.9 Ų125.981%0.81368%0.678SS**  trans64.484.9175-145.7-62.5000117
322L42.3Very low51Low152 Ų152124.8 Ų124.880%0.79667%0.669SS**PPolyproline II helixtrans-93.7136.4148.9-73.5169.1000108.2
323P48.9Very low51.3Low67 Ų67122.9 Ų122.944%0.43566%0.655SS.*PPolyproline II helixtrans-70.4144.7169.730.2-33.8000110.7
324S58.5Low51.7Low64 Ų64122.9 Ų122.945%0.44865%0.646SS.*PPolyproline II helixtrans-63.7152.6179.9-710000112.5E326 E327S324-E326 WeakPolarHBondContact CB-OE1 3.48Å; S324-E326 PolarHBondContact O-N 3.26Å; S324-E326 VanDerWaalsContact O-N 3.13Å; S324-E326 PolarHBondContact OG-OE1 3.22Å; S324-E327 PolarHBondContact O-N 2.77Å; S324-E327 VanDerWaalsContact O-N 3.1Å
325E58.7Low52Low165 Ų165125.2 Ų125.277%0.77165%0.647SS**Hα-helixtrans-58.1-27.1177.862.3-166.3117.700113.8L329E325-L329 VanDerWaalsContact O-CD1 3.23Å; E325-L329 WeakPolarHBondContact O-CD1 3.29Å; E325-L329 PolarHBondContact O-N 3.26Å; E325-L329 VanDerWaalsContact O-N 3.15Å
326E60.4Low52.3Low139 Ų139129.4 Ų129.465%0.6565%0.649SS**Hα-helixtrans-61.9-39.517567.4-154.3127.600113.5S324 L329 E330S324-E326 WeakPolarHBondContact CB-OE1 3.48Å; S324-E326 PolarHBondContact O-N 3.26Å; S324-E326 VanDerWaalsContact O-N 3.13Å; S324-E326 PolarHBondContact OG-OE1 3.22Å; E326-L329 PolarHBondContact O-N 3.36Å; E326-E330 PolarHBondContact O-N 3.32Å
327E59.2Low52.5Low108 Ų108131.4 Ų131.451%0.50565%0.646SS.*Hα-helixtrans-71.3-38.1-178.1-165.4177.2175.100111S324 L329 E330 M331S324-E327 PolarHBondContact O-N 2.77Å; S324-E327 VanDerWaalsContact O-N 3.1Å; E327-L329 VanDerWaalsContact C-N 3.33Å; E327-L329 PolarHBondContact O-N 3.41Å; E327-E330 PolarHBondContact O-N 3.37Å; E327-M331 VanDerWaalsContact O-CG 3.29Å; E327-M331 WeakPolarHBondContact O-CG 3.49Å; E327-M331 PolarHBondContact O-N 3.22Å
328L60.3Low52.4Low88 Ų88133.3 Ų133.346%0.46165%0.652SS.*Hα-helixtrans-65.9-34.5172.8-64.6-179.9000112.2M331 V332L328-M331 HydrophobicContact CD2-CE 4.3Å; L328-M331 HydrophobicContact CD2-SD 4.01Å; L328-V332 WeakPolarHBondContact O-CB 3.38Å; L328-V332 VanDerWaalsContact O-CG2 3.29Å; L328-V332 WeakPolarHBondContact O-CG2 3.23Å; L328-V332 PolarHBondContact O-N 3.16Å; L328-V332 VanDerWaalsContact O-N 3.09Å
329L63.5Low52.4Low117 Ų117130.3 Ų130.361%0.61366%0.656SS**Hα-helixtrans-67.9-38.9172.2-95.875.6000111.8E325 E326 E327 T333E325-L329 VanDerWaalsContact O-CD1 3.23Å; E325-L329 WeakPolarHBondContact O-CD1 3.29Å; E325-L329 PolarHBondContact O-N 3.26Å; E325-L329 VanDerWaalsContact O-N 3.15Å; E326-L329 PolarHBondContact O-N 3.36Å; E327-L329 VanDerWaalsContact C-N 3.33Å; E327-L329 PolarHBondContact O-N 3.41Å; L329-T333 WeakPolarHBondContact O-CB 3.46Å; L329-T333 VanDerWaalsContact O-CG2 3.3Å; L329-T333 WeakPolarHBondContact O-CG2 3.45Å; L329-T333 PolarHBondContact O-N 3.24Å; L329-T333 PolarHBondContact O-OG1 3Å
330E62.4Low52Low124 Ų124128.9 Ų128.958%0.57965%0.654SS**Hα-helixtrans-65.8-45.4175.4-173.8159.9-152.600111.8E326 E327 V332 T333 L334E326-E330 PolarHBondContact O-N 3.32Å; E327-E330 PolarHBondContact O-N 3.37Å; E330-V332 PolarHBondContact O-N 3.38Å; E330-T333 WeakPolarHBondContact CA-OG1 3.4Å; E330-T333 PolarHBondContact O-N 3.09Å; E330-T333 PolarHBondContact O-OG1 3.41Å; E330-T333 VanDerWaalsContact O-OG1 3.12Å; E330-L334 HydrophobicContact CG-CD1 3.86Å; E330-L334 HydrophobicContact CG-CG 4.37Å; E330-L334 WeakPolarHBondContact O-CB 3.43Å; E330-L334 WeakPolarHBondContact O-CG 3.3Å; E330-L334 PolarHBondContact O-N 2.99Å
331M52.3Low51.4Low110 Ų110130.8 Ų130.854%0.54266%0.663SS.*Hα-helixtrans-56.4-47.4174.8-70.8166.457.300112.7E327 L328 Q335E327-M331 VanDerWaalsContact O-CG 3.29Å; E327-M331 WeakPolarHBondContact O-CG 3.49Å; E327-M331 PolarHBondContact O-N 3.22Å; L328-M331 HydrophobicContact CD2-CE 4.3Å; L328-M331 HydrophobicContact CD2-SD 4.01Å; M331-Q335 PolarHBondContact O-N 3.24Å
332V55.1Low50.6Low92 Ų92129.9 Ų129.956%0.55866%0.663SS**Hα-helixtrans-72.5-31.3-178.5171.50000112.1L328 E330 R336L328-V332 WeakPolarHBondContact O-CB 3.38Å; L328-V332 VanDerWaalsContact O-CG2 3.29Å; L328-V332 WeakPolarHBondContact O-CG2 3.23Å; L328-V332 PolarHBondContact O-N 3.16Å; L328-V332 VanDerWaalsContact O-N 3.09Å; E330-V332 PolarHBondContact O-N 3.38Å; V332-R336 WeakPolarHBondContact O-CB 3.29Å; V332-R336 PolarHBondContact O-N 2.75Å
333T59.3Low50.4Low87 Ų87128.5 Ų128.553%0.53466%0.663SS.*Hα-helixtrans-77.9-33175.7520000112.8L329 E330 R336 K337L329-T333 WeakPolarHBondContact O-CB 3.46Å; L329-T333 VanDerWaalsContact O-CG2 3.3Å; L329-T333 WeakPolarHBondContact O-CG2 3.45Å; L329-T333 PolarHBondContact O-N 3.24Å; L329-T333 PolarHBondContact O-OG1 3Å; E330-T333 WeakPolarHBondContact CA-OG1 3.4Å; E330-T333 PolarHBondContact O-N 3.09Å; E330-T333 PolarHBondContact O-OG1 3.41Å; E330-T333 VanDerWaalsContact O-OG1 3.12Å; T333-R336 PolarHBondContact O-N 2.96Å; T333-K337 PolarHBondContact O-N 3.47Å
334L52.3Low49.5Very low104 Ų104134.9 Ų134.955%0.54569%0.687SS.*Hα-helixtrans-66.9-47174.4-80169.3000112.5E330 R336 K337E330-L334 HydrophobicContact CG-CD1 3.86Å; E330-L334 HydrophobicContact CG-CG 4.37Å; E330-L334 WeakPolarHBondContact O-CB 3.43Å; E330-L334 WeakPolarHBondContact O-CG 3.3Å; E330-L334 PolarHBondContact O-N 2.99Å; L334-R336 PolarHBondContact O-N 3.26Å; L334-K337 PolarHBondContact O-N 3.15Å
335Q47.2Very low48.3Very low170 Ų170139.6 Ų139.679%0.79471%0.706SS**Hα-helixtrans-59.7-32.1174.3-86.5-168.9-8.300112.5M331 K337M331-Q335 PolarHBondContact O-N 3.24Å; Q335-K337 PolarHBondContact O-N 2.89Å
336R48.5Very low46.8Very low211 Ų211138 Ų13880%0.79671%0.708SS**THydrogen-bonded Turntrans-73.8-12.4177-153.9174.2-161131.16.2114V332 T333 L334V332-R336 WeakPolarHBondContact O-CB 3.29Å; V332-R336 PolarHBondContact O-N 2.75Å; T333-R336 PolarHBondContact O-N 2.96Å; L334-R336 PolarHBondContact O-N 3.26Å
337K44.8Very low45.1Very low179 Ų179137.2 Ų137.278%0.77872%0.716SS**THydrogen-bonded Turntrans-98.4-1.3-174-160.9171.9178.1-1780114.1T333 L334 Q335T333-K337 PolarHBondContact O-N 3.47Å; L334-K337 PolarHBondContact O-N 3.15Å; Q335-K337 PolarHBondContact O-N 2.89Å
338Q40.9Very low43.6Very low187 Ų187134.9 Ų134.987%0.87472%0.721SS**SBendtrans-112.813.2-176.4-146.5177.640.700114.4
339A39.1Very low43.1Very low90 Ų90136.9 Ų136.974%0.74474%0.739SS**SBendtrans-123.810.1-173.500000115.1
340D42.6Very low41.4Very low148 Ų148136.4 Ų136.479%0.79175%0.752SS**  trans-137.693.2177.2-157.6-62000110.6
341Q35.7Very low39.8Very low193 Ų193139.2 Ų139.290%0.90277%0.766SS**  trans-161.985.4165-137.2-177.712200111.5
342V31.5Very low39.6Very low132 Ų132138.7 Ų138.780%0.877%0.77SS**  trans-133.4127.9162.1-176.30000106.5
343P38.2Very low38.3Very low124 Ų124142.9 Ų142.981%0.80578%0.784SS**  trans-78.3147.2-16029.7-36.2000113.9
344Q29.4Very low37.9Very low200 Ų200143.3 Ų143.394%0.93579%0.788SS**  trans-101156.6160.9-73.3-146.175.300111.7
345L31.9Very low37.8Very low164 Ų164143.5 Ų143.586%0.85980%0.795SS**  trans-96.5-170-169.5-115.3162.3000112.2
346V28Very low36.9Very low132 Ų132141.4 Ų141.480%0.879%0.794SS**  trans81.4131.1168.5-174.10000114.1
347C25.5Very low36Very low121 Ų121136.5 Ų136.582%0.81879%0.788SS**  cis-146172.22.7-144.50000113.4
348G27.5Very low35.3Very low60 Ų60135.2 Ų135.262%0.61979%0.788SS**  trans-119.5164.6156.900000111.6
349P48.8Very low34.8Very low130 Ų130131.8 Ų131.884%0.84478%0.779SS**  trans-113.1146.2-165.638.7-30.5000116.2
350A29.4Very low34.4Very low107 Ų107136 Ų13688%0.88478%0.784SS**  trans-179.9158.914600000113.4
351E28.6Very low33.9Very low183 Ų183134.1 Ų134.186%0.85578%0.782SS**  trans-101179.6170.9-106.8-170.988.300110.8
352P47.6Very low34.3Very low99 Ų99130.7 Ų130.764%0.64378%0.777SS**  cis-141.2-179.8-27.838.2-19.4000116
353E26.9Very low35Very low179 Ų179129.9 Ų129.984%0.83677%0.774SS**  trans71.8163.3152-74.6-72.187.200121.6
354P51.3Low36Very low97 Ų97129.4 Ų129.463%0.6377%0.771SS**  trans-126.7-150-147.849.2-35.2000113.5
355P50.1Low36.9Very low107 Ų107125 Ų12570%0.69576%0.76SS**  cis-138.2-172.5-9.435.9-12.7000117.4
356V29.5Very low36.8Very low126 Ų126125 Ų12576%0.76476%0.755SS**  trans62.4160166.1-100.10000118.5
357T28.1Very low37.2Very low108 Ų108125.6 Ų125.666%0.66375%0.753SS**  cis-155.7154.116-6.50000113
358I30.4Very low37.4Very low153 Ų153126.3 Ų126.379%0.78575%0.749SS**  trans25.2132.1131.5-62.1168.6000118
359V31.6Very low37.8Very low115 Ų115126.9 Ų126.970%0.69775%0.748SS**  cis-163.9142.344.989.30000110.2
360E30.4Very low36.8Very low179 Ų179129.2 Ų129.284%0.83675%0.748SS**  80.1162.798.3-151.2163.8122.400118.1
361S31Very low36.9Very low107 Ų107132.7 Ų132.775%0.74875%0.745SS**  trans-118.4-165.9-167.3-46.70000111.7
362P45.4Very low36.9Very low122 Ų122133.2 Ų133.279%0.79275%0.748SS**  cis-126.7-111.2-5.924.73.2000117.7
363P46.3Very low36.1Very low114 Ų114133.5 Ų133.574%0.7475%0.748SS**  -124.3-166.8-117.845.7-27.3000116.3
364P58.3Low36.5Very low115 Ų115133.5 Ų133.575%0.74775%0.748SS**  trans-102.2-174.8-16043.1-38.6000116.4
365P47.7Very low35.4Very low108 Ų108136.9 Ų136.970%0.70176%0.755SS**  -151.7164.6120.840.5-24000118.8
366E29.9Very low34.4Very low164 Ų164135.5 Ų135.577%0.76676%0.76SS**  trans47.2128.4140.7-65.9172.798.600124.1
367L38Very low34.4Very low144 Ų144140.6 Ų140.675%0.75477%0.765SS**  75153.898.2-58.3176.1000115.5
368D28.7Very low34.6Very low135 Ų135139.8 Ų139.872%0.72277%0.77SS**  cis-159.3-178.918.6-157.9-101.1000113.2
369A35Very low34.6Very low73 Ų73141.5 Ų141.560%0.60377%0.772SS**  trans59.3162.4158.400000121.7
370Q28.7Very low34.4Very low179 Ų179142.7 Ų142.784%0.83677%0.774SS**  cis-165126.6-20.9-99.1161.5-13.800106.6
371Q30.9Very low34.4Very low179 Ų179138.8 Ų138.884%0.83677%0.767SS**  59.511488.5-172170.1-7.600119.5
372E29.4Very low34.9Very low194 Ų194138.9 Ų138.991%0.90777%0.765SS**  trans-163.4-167.7145.3-116.7-179.8166.900113.8
373V30.6Very low34.1Very low106 Ų106137.6 Ų137.664%0.64277%0.765SS**  -143.3150.2-125.61490000118
374E34.2Very low33.1Very low179 Ų179139.7 Ų139.784%0.83676%0.764SS**  trans50.6173.2159.3-86.3-180158.700120.9
375E30.2Very low32.2Very low168 Ų168139.5 Ų139.579%0.78576%0.763SS**  cis-148.9154.1-29.9-171.7-153.4119.700105.7
376G28.9Very low31.4Very low77 Ų77138.6 Ų138.679%0.79476%0.76SS**  trans-172.6108.5177.700000118.4
377R28.1Very low31.3Very low233 Ų233138.4 Ų138.488%0.87977%0.769SS**  trans-96.1115.1-166.4170.6179.2165.7-177.6-3.1116.4
378A33.9Very low30.7Very low92 Ų92136 Ų13676%0.7677%0.77SS**  trans44.6136.7140.900000123.4
379K29.4Very low30.6Very low188 Ų188138.1 Ų138.182%0.81778%0.778SS**  148.6119.4110-178.2-177.2176.2-169.20114.4
380D27.7Very low30.3Very low140 Ų140140 Ų14075%0.74978%0.781SS**  -176.5-178.2115.1-139.3-127.3000113.1
381S29.7Very low30.1Very low98 Ų98136.8 Ų136.869%0.68577%0.774SS**  trans-166.8164.2-173.2-1420000109.2
382P42.1Very low29.8Very low109 Ų109133.5 Ų133.571%0.70877%0.77SS**  cis-149.4-173.220.745.1-24.3000117.9
383A28.4Very low29.8Very low95 Ų95129.4 Ų129.479%0.78576%0.763SS**  trans66136.5140.900000124.3
384E24.8Very low29.8Very low157 Ų157130 Ų13073%0.73477%0.771SS**  trans-64.3176.3156-116.1-141104.300112.5S386E384-S386 PolarHBondContact OE1-N 3.3Å; E384-S386 VanDerWaalsContact OE1-N 3.13Å; E384-S386 PolarHBondContact OE1-OG 3.12Å
385P40.9Very low29.5Very low112 Ų112126.9 Ų126.973%0.72777%0.769SS**  cis-146174.93142.9-22.2000120.4
386S29.2Very low29.6Very low89 Ų89124.2 Ų124.262%0.62277%0.769SS**  trans-20.7142.3154.6-62.30000120.2E384E384-S386 PolarHBondContact OE1-N 3.3Å; E384-S386 VanDerWaalsContact OE1-N 3.13Å; E384-S386 PolarHBondContact OE1-OG 3.12Å
387V28.1Very low29.6Very low159 Ų159125.7 Ų125.796%0.96477%0.768SS**  -165.5162.3128.1-97.40000113.1
388A26.4Very low29.7Very low95 Ų95119.2 Ų119.279%0.78576%0.764SS**  trans-95.4169.7-174.100000115.2
389M26.4Very low29.4Very low179 Ų179119.4 Ų119.488%0.88276%0.76SS**  -166.6169.7129.6-115.8-166.7171.700116.8
390V27.3Very low29.3Very low111 Ų111116.9 Ų116.967%0.67376%0.76SS**  trans-38.9169176.4-69.10000118.2
391T25.6Very low29.4Very low113 Ų113115.6 Ų115.669%0.69376%0.762SS**  -173.3158.855.7-29.80000114.6
392C24.2Very low30.2Very low109 Ų109116.6 Ų116.674%0.73677%0.766SS**  trans44.5146.1153.3610000121.5
393S28.9Very low29.5Very low109 Ų109117.5 Ų117.576%0.76278%0.775SS**  cis-162.2-168-14.2-820000106.5
394S30.4Very low29.3Very low117 Ų117116.2 Ų116.282%0.81877%0.772SS**  cis-159.5-166.724.1-60.30000112.5
395S29.3Very low29.5Very low114 Ų114114.3 Ų114.380%0.79778%0.782SS**  trans-65.5172.9172.256.60000115.7
396S31Very low28.9Very low112 Ų112112.3 Ų112.378%0.78378%0.782SS**  cis-161.7161.230.555.40000117.5
397S30.5Very low30Very low109 Ų109114 Ų11476%0.76279%0.791SS**  trans-49.7164.3174.3550000123.3
398A30.2Very low30.6Very low96 Ų96112.3 Ų112.379%0.79378%0.783SS**  trans73.4153141.500000119.9
399S27Very low31Very low97 Ų97117.2 Ų117.268%0.67879%0.787SS**  cis-171.2-179.7-13.455.40000113
400T28Very low31.9Very low134 Ų134113.7 Ų113.782%0.82278%0.778SS**  trans75.8137.9148.237.20000123.1
401S29.6Very low32.1Very low114 Ų114118 Ų11880%0.79779%0.787SS**  trans-90.8-165.2172.8-22.10000111.4
402P44.8Very low32.4Very low119 Ų119122.3 Ų122.377%0.77380%0.796SS**  cis-147.4174.420.245.2-24.8000120.1
403S28.2Very low33.4Very low127 Ų127123 Ų12389%0.88880%0.799SS**  trans52.9135.8142.6-158.70000124
404G24.3Very low33.5Very low69 Ų69128.2 Ų128.271%0.71180%0.802SS**  trans156.7101.5148.900000120.7
405A29.3Very low33.5Very low116 Ų116129.1 Ų129.196%0.95980%0.796SS**  trans65.8159.2148.300000123.7
406G27.3Very low33.6Very low70 Ų70131.1 Ų131.172%0.72280%0.797SS**  trans-164.2-160.2169.500000107.7
407P54.1Low33.8Very low125 Ų125134.3 Ų134.381%0.81280%0.8SS**  cis-119.1-164.2-1140.6-23.5000112
408P39.8Very low34.1Very low123 Ų123137 Ų13780%0.79981%0.805SS**  -154-177.395.339.9-20000117.1
409K34.1Very low34.7Very low198 Ų198138 Ų13886%0.86180%0.803SS**  trans-118.2-170.9167.6-61.2178.2178.21730107.8
410P46.8Very low34.8Very low106 Ų106139.1 Ų139.169%0.68881%0.811SS**  cis-144.7-179.41.836.3-13.1000117.4
411K31.3Very low35.3Very low201 Ų201138 Ų13887%0.87481%0.809SS**  155.2164.6130-82.9165-176177.50114.4
412K32.4Very low36Very low204 Ų204138.5 Ų138.589%0.88781%0.809SS**  trans-136.2154.6-177.7-61.3176.4177.7-179.60110.6
413P43.4Very low35.5Very low122 Ų122138.4 Ų138.479%0.79281%0.811SS**  -149.3-173.2111.138.2-20.8000112.6
414R32.2Very low36.2Very low220 Ų220139.9 Ų139.983%0.8381%0.809SS**  cis-163.5147.6-39-103.1-178.2168.9178.8-2.8109.1
415I30.9Very low37Very low135 Ų135142.3 Ų142.369%0.69281%0.812SS**  trans53.3122.7147.4-53.1161.2000120.3
416L31.8Very low37.4Very low157 Ų157143.2 Ų143.282%0.82281%0.808SS**  178.7113.7126-112.192.9000106.4
417E34.2Very low37.8Very low178 Ų178143.3 Ų143.383%0.83281%0.808SS**  82.613789.6-71.9-10991.500114.6
418L36.1Very low37Very low166 Ų166146 Ų14687%0.86982%0.815SS**  trans-93.9165.5-178.5-63.6168.4000110.8
419P44.4Very low37.1Very low117 Ų117145.1 Ų145.176%0.7681%0.812SS**  -152.7156.19738.3-20.5000118.3
420S28.9Very low37.8Very low120 Ų120142.9 Ų142.984%0.83981%0.809SS**  trans68.6128.7142.8-62.60000123.6
421S36.8Very low37.8Very low112 Ų112144.5 Ų144.578%0.78381%0.811SS**  trans-104.7164.9159.5-350000111.3
422P45.4Very low38.5Very low124 Ų124144.4 Ų144.481%0.80581%0.811SS**  trans-104108.914832.7-22.9000109.2
423S33.9Very low39.2Very low116 Ų116141 Ų14181%0.81181%0.807SS**  71.5110.675.6-1650000113.8
424L42.1Very low39.4Very low159 Ų159143.4 Ų143.483%0.83281%0.813SS**  trans-121.4152.4168.9-75.5173.1000108.9
425P41.6Very low39.9Very low119 Ų119137.6 Ų137.677%0.77381%0.812SS**  trans-71.5153.7-17429-35.5000113.4
426P38.2Very low40.4Very low136 Ų136135.8 Ų135.888%0.88382%0.818SS**  trans-100.3143.1-162.43.718.4000113.9
427G35.6Very low40.8Very low71 Ų71134.8 Ų134.873%0.73282%0.818SS**  trans170.3109.5166.200000115.3
428L37.5Very low41.4Very low182 Ų182133.6 Ų133.695%0.95382%0.817SS**  trans71.1114.1170.5-51.1179.7000117.2
429S40.6Very low41.4Very low105 Ų105131.7 Ų131.773%0.73482%0.817SS**  trans-92.4174.8168.968.40000112.3D431S429-D431 PolarHBondContact O-N 2.93Å; S429-D431 PolarHBondContact OG-OD2 3.06Å
430L49Very low41.1Very low151 Ų151134.4 Ų134.479%0.79183%0.825SS**SBendtrans-79.8-9.7-162.3-171.753.7000115.1K432L430-K432 PolarHBondContact O-N 3.4Å
431D46.6Very low41.5Very low139 Ų139137.2 Ų137.274%0.74383%0.83SS**THydrogen-bonded Turntrans-87.339.6-157.2-52.2-83.6000115.9S429S429-D431 PolarHBondContact O-N 2.93Å; S429-D431 PolarHBondContact OG-OD2 3.06Å
432K47.9Very low41.4Very low199 Ų199136.1 Ų136.187%0.86583%0.827SS**THydrogen-bonded Turntrans-151.626.6-178-128166.8-170.1173.70119.2L430L430-K432 PolarHBondContact O-N 3.4Å
433V46.6Very low41.5Very low134 Ų134136.2 Ų136.281%0.81283%0.828SS**SBendtrans-89.3-10.2-177.4-170.70000113.9
434N47.3Very low41.3Very low171 Ų171134.3 Ų134.391%0.91483%0.827SS**SBendtrans-110.931.2-162.4-132-10.8000116
435A43Very low41Very low98 Ų98131.7 Ų131.781%0.8183%0.828SS**  trans-15062.1-176.200000114.4
436A40.5Very low40.7Very low98 Ų98130 Ų13081%0.8182%0.824SS**  trans-146.924.7179.300000115.4
437V39.7Very low40.9Very low135 Ų135130.5 Ų130.582%0.81882%0.819SS**SBendtrans-114.3-7.4-174.5170.40000114.1
438N48Very low40.9Very low154 Ų154132.9 Ų132.982%0.82482%0.82SS**  trans-13786.1178.4-82.9-59.5000112.1
439S35.6Very low41Very low125 Ų125131 Ų13187%0.87481%0.81SS**  trans-154.662.4169.4-71.70000111.4
440L38.2Very low41.6Very low175 Ų175131.9 Ų131.992%0.91681%0.811SS**  trans-89.1165.4154.2-83.7164.6000109.2
441L38.1Very low41.5Very low179 Ų179130.7 Ų130.794%0.93781%0.812SS**  trans90.6107.6172.5-136.768.9000117.2
442A33.2Very low41.2Very low89 Ų89130 Ų13074%0.73681%0.813SS**  trans-51.3-165.217300000116.2
443P48.2Very low40.8Very low125 Ų125127 Ų12781%0.81281%0.812SS**  cis-146.3174.8843.8-23.7000120.2
444G30.2Very low40.6Very low77 Ų77127.1 Ų127.179%0.79481%0.806SS**  trans94.1154.2157.600000116.4
445A35.6Very low40Very low104 Ų104125.1 Ų125.186%0.8680%0.8SS**  cis-173.7155.7-12.200000107.8
446A35.9Very low39.8Very low83 Ų83125.3 Ų125.369%0.68680%0.795SS**  cis-155.8170.9-16.100000107.3
447N40.6Very low39.9Very low147 Ų147129.1 Ų129.179%0.78680%0.796SS**  -175.313086.3-83.1-23.9000110.8
448T36.6Very low39.9Very low121 Ų121127.5 Ų127.574%0.74280%0.797SS**  trans40.7130.5138.7-0.10000120.8
449L40.2Very low39.7Very low141 Ų141128 Ų12874%0.73880%0.799SS**  cis-155.4121.539-81156000115.7
450T53Low40Very low125 Ų125127.9 Ų127.977%0.76779%0.793SS**  trans67.5168.5138.469.60000120.2
451P46.3Very low40.4Very low125 Ų125125.5 Ų125.581%0.81279%0.788SS**  -135.8177.3-87.637.8-16.4000118.2
452T39.8Very low40.5Very low125 Ų125122.3 Ų122.377%0.76778%0.775SS**  trans-78.9151.3-167.6-47.70000118.2
453V39.5Very low41Very low137 Ų137125.4 Ų125.483%0.8378%0.779SS**  trans-137.8101141.8-174.70000113.3
454I43.2Very low40.6Very low136 Ų136126.7 Ų126.770%0.69778%0.778SS**  trans19.5121.7139.1-46.2169.1000119.9
455T35.6Very low41.2Very low129 Ų129128.1 Ų128.179%0.79177%0.772SS**  -166139.1121-790000110.1
456S37.4Very low41.8Very low101 Ų101128.9 Ų128.971%0.70677%0.768SS**  trans-137.9120.3-171.255.80000112.2
457H43.2Very low41.8Very low179 Ų179130.8 Ų130.883%0.82978%0.776SS**  trans-140.8130.5169.3-80.9-77.6000112.4
458A39.6Very low41.5Very low101 Ų101128.1 Ų128.184%0.83577%0.774SS**  trans48.3122.5157.200000120.5
459L43.5Very low42.3Very low165 Ų165129.2 Ų129.286%0.86478%0.775SS**  trans-86.1131.3166.4-70.3153.2000111.1
460T42.8Very low42.7Very low122 Ų122128.6 Ų128.675%0.74878%0.78SS**  trans-163.995.3151.79.80000112.4V462T460-V462 PolarHBondContact O-N 3.08Å; T460-V462 VanDerWaalsContact O-N 3.15Å
461P45.1Very low42.5Very low124 Ų124127.2 Ų127.281%0.80578%0.775SS**  trans-81.187.1169.132.3-31.8000110.2L463P461-L463 PolarHBondContact O-N 2.93Å
462V41.6Very low42.4Very low112 Ų112126.9 Ų126.968%0.67977%0.771SS**  trans-72.5112.7175.9179.50000109.9T460 L464T460-V462 PolarHBondContact O-N 3.08Å; T460-V462 VanDerWaalsContact O-N 3.15Å; V462-L464 HydrophobicContact CG1-CD1 4.21Å; V462-L464 HydrophobicContact CG1-CG 4.11Å; V462-L464 PolarHBondContact O-N 3.24Å
463L44.1Very low42.8Very low155 Ų155127.9 Ų127.981%0.81277%0.77SS**  trans-77.987.5179.8-164.8163.8000109.8P461 T465P461-L463 PolarHBondContact O-N 2.93Å; L463-T465 HydrophobicContact CD2-CG2 4.13Å
464L38.9Very low43.4Very low152 Ų152128.5 Ų128.580%0.79676%0.763SS**  trans-90.4110.9176.7-92.5159.8000111.5V462V462-L464 HydrophobicContact CG1-CD1 4.21Å; V462-L464 HydrophobicContact CG1-CG 4.11Å; V462-L464 PolarHBondContact O-N 3.24Å
465T42.3Very low43.5Very low107 Ų107131.3 Ų131.366%0.65677%0.771SS**  trans-71.3154.2171.646.10000112L463L463-T465 HydrophobicContact CD2-CG2 4.13Å
466P47.8Very low43.8Very low120 Ų120135.8 Ų135.878%0.77977%0.773SS**  trans-79167.5178.333.7-36.2000113.2
467S36Very low43.8Very low122 Ų122136 Ų13685%0.85378%0.775SS**  trans85.3138.6-179.1-146.40000114.1
468A35.6Very low44Very low91 Ų91133.5 Ų133.575%0.75277%0.773SS**  cis-142170.1-000000111.9
469L53.2Low44.1Very low144 Ų144136.3 Ų136.375%0.75477%0.773SS**  trans-73.9164.8172.3-64.1167000111.9
470P48.2Very low44Very low129 Ų129134 Ų13484%0.83877%0.771SS**  -127.514896.137-32.5000114.4
471S48Very low44.1Very low95 Ų95134.2 Ų134.266%0.66477%0.774SS**  trans-96.7110.6-176.7-53.80000112.5
472T44.2Very low44.1Very low119 Ų119136.5 Ų136.573%0.7378%0.777SS**  trans-146.291.7164.6-600000111.4
473I48.5Very low44.3Very low145 Ų145135.2 Ų135.274%0.74478%0.778SS**  trans-141.4106.8155.2-56.7-178.1000107.3F475I473-F475 HydrophobicContact CG2-CD2 3.88Å; I473-F475 HydrophobicContact CG2-CE2 3.9Å
474H53.3Low44.4Very low151 Ų151133.9 Ų133.970%0.69978%0.779SS**  trans-100.499.5176.1-74.4-80.1000110.7W476H474-W476 PolarHBondContact O-N 3.13Å
475F45.1Very low44.7Very low194 Ų194138.6 Ų138.685%0.85179%0.786SS**  trans-74.6101.8163.5-88.2-91000109.6I473 S477I473-F475 HydrophobicContact CG2-CD2 3.88Å; I473-F475 HydrophobicContact CG2-CE2 3.9Å; F475-S477 PolarHBondContact O-N 3.1Å
476W41.9Very low44.6Very low223 Ų223138.9 Ų138.985%0.84579%0.793SS**  trans-8296.7172.3-77.266.1000110.2H474 T478H474-W476 PolarHBondContact O-N 3.13Å; W476-T478 PolarHBondContact O-N 3.15Å
477S36.8Very low44.7Very low107 Ų107138.9 Ų138.975%0.74879%0.793SS**  trans-78.3106.4168.2-67.80000110.3F475 L479F475-S477 PolarHBondContact O-N 3.1Å; S477-L479 VanDerWaalsContact C-N 3.32Å; S477-L479 PolarHBondContact O-N 3.16Å
478T47Very low44.7Very low126 Ų126137.8 Ų137.877%0.77379%0.791SS**  trans-78.973.8177.545.60000112.2W476W476-T478 PolarHBondContact O-N 3.15Å
479L41.5Very low44.8Very low160 Ų160142.9 Ų142.984%0.83880%0.796SS**  trans-122.195.5167.5-71.9177.4000110.2S477 P481S477-L479 VanDerWaalsContact C-N 3.32Å; S477-L479 PolarHBondContact O-N 3.16Å; L479-P481 WeakPolarHBondContact O-CD 3.09Å
480S41.3Very low44.3Very low117 Ų117142.8 Ų142.882%0.81880%0.796SS**  trans-72.1122179.4-54.90000111.5I482S480-I482 PolarHBondContact O-N 3.2Å
481P44.8Very low43.9Very low126 Ų126141.8 Ų141.882%0.81879%0.792SS**  trans-72.1114.5164.429.4-30.9000108.8L479 A483L479-P481 WeakPolarHBondContact O-CD 3.09Å; P481-A483 PolarHBondContact O-N 2.93Å
482I45.6Very low43.6Very low171 Ų171145.6 Ų145.688%0.87780%0.797SS**PPolyproline II helixtrans-74.7118178.5-155.4165.7000109.3S480S480-I482 PolarHBondContact O-N 3.2Å
483A46.4Very low43.3Very low85 Ų85149.3 Ų149.370%0.70281%0.806SS**PPolyproline II helixtrans-84.5133.8-176.300000111.3P481P481-A483 PolarHBondContact O-N 2.93Å
484P45.9Very low42.8Very low127 Ų127148.3 Ų148.383%0.82581%0.806SS**PPolyproline II helixtrans-68.2137.217528.3-33.6000110.9
485R44.3Very low42.2Very low251 Ų251148.4 Ų148.495%0.94781%0.811SS**PPolyproline II helixtrans-69.1128.2176.7-73.3173.1151-138.5-3.8110.8
486S41.8Very low41.7Very low113 Ų113146.2 Ų146.279%0.7981%0.808SS**PPolyproline II helixtrans-92.5138.3163.4-1650000109.9
487P48.6Very low41.5Very low120 Ų120146.8 Ų146.878%0.77981%0.81SS**PPolyproline II helixtrans-78.4138.1-174.230.7-34.7000112.8
488A37Very low41.5Very low99 Ų99145.4 Ų145.482%0.81880%0.804SS**PPolyproline II helixtrans-75.1137171.400000111.2
489K38.2Very low41.2Very low198 Ų198147.4 Ų147.486%0.86181%0.805SS**  trans-114.293.6168-171.6-179.9176.470.10109S491K489-S491 PolarHBondContact O-N 3.38Å
490L41.4Very low41.2Very low142 Ų142145.7 Ų145.774%0.74381%0.806SS**  trans-68.3123.6170.1-83161.9000109.6F492L490-F492 HydrophobicContact CB-CD2 4.36Å; L490-F492 HydrophobicContact CB-CE2 4.11Å; L490-F492 HydrophobicContact CD1-CE2 4.08Å; L490-F492 HydrophobicContact CD1-CZ 4.47Å; L490-F492 HydrophobicContact CD2-CE2 4.22Å; L490-F492 HydrophobicContact CD2-CZ 4.33Å; L490-F492 HydrophobicContact CG-CE2 4.37Å
491S40Very low41.2Very low109 Ų109146 Ų14676%0.76280%0.799SS**  trans-115.789.6165.955.50000108.8K489 Q493K489-S491 PolarHBondContact O-N 3.38Å; S491-Q493 PolarHBondContact O-N 3.3Å
492F40.9Very low40.9Very low175 Ų175147.9 Ų147.977%0.76880%0.799SS**PPolyproline II helixtrans-67.2122.3165.2-67.7-87.9000108.3L490L490-F492 HydrophobicContact CB-CD2 4.36Å; L490-F492 HydrophobicContact CB-CE2 4.11Å; L490-F492 HydrophobicContact CD1-CE2 4.08Å; L490-F492 HydrophobicContact CD1-CZ 4.47Å; L490-F492 HydrophobicContact CD2-CE2 4.22Å; L490-F492 HydrophobicContact CD2-CZ 4.33Å; L490-F492 HydrophobicContact CG-CE2 4.37Å
493Q39.7Very low40.9Very low196 Ų196145.2 Ų145.292%0.91679%0.79SS**PPolyproline II helixtrans-101.8118.3168.3-142.5164.819.900107.5S491S491-Q493 PolarHBondContact O-N 3.3Å
494V36.6Very low40.9Very low124 Ų124151.1 Ų151.175%0.75282%0.817SS**PPolyproline II helixtrans-76.6144-172.51740000109.9D496V494-D496 PolarHBondContact O-N 3.03Å
495I41Very low40.7Very low154 Ų154152.4 Ų152.479%0.7982%0.817SS**  trans-72.4105.8170.1-61167.4000107.6
496D35.6Very low40.5Very low148 Ų148147.2 Ų147.279%0.79181%0.81SS**  trans-94.6127.5167.8-133.7-43.7000109.9V494V494-D496 PolarHBondContact O-N 3.03Å
497R37.9Very low40.4Very low235 Ų235149.1 Ų149.189%0.88781%0.811SS**  trans-143.873.9-173.3-170-177.1-176.4147.93.6110.1
498A36.6Very low39.9Very low77 Ų77150.8 Ų150.864%0.63681%0.813SS**  trans-124.7119.418000000112.5
499H40.4Very low40.1Very low168 Ų168154 Ų15478%0.77881%0.813SS**  trans29.3119143.3-59.5-89.6000120.3
500S42Very low40.2Very low125 Ų125151.1 Ų151.187%0.87481%0.81SS**  trans-124.3143.5132.4-169.30000108.8
501N40.4Very low40.1Very low124 Ų124151.7 Ų151.766%0.66381%0.814SS**  trans-108.6134.1-169.1-81.3-18.1000111.9
502M39.6Very low40.1Very low165 Ų165155 Ų15581%0.81382%0.818SS**  57.9151.4124.6-155.3176.779.800121
503T44.3Very low40.1Very low114 Ų114153.3 Ų153.370%0.69982%0.823SS**  trans78.7138.2167.4-13.40000113.6
504V46.8Very low40.1Very low210 Ų210149.5 Ų149.5100%1.27381%0.814SS**  cis-9603-179.20000111.7

Retrieved 504 of 504 residues in 215.5 ms (Link to these results)

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