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Aspartyl aminopeptidase

Aminopeptidase with specificity towards an acidic amino acid at the N-terminus. Likely to play an important role in intracellular protein and peptide metabolism.

AlphaFold DB , UniProt , Accession A0A087WSE6, Species MOUSE (Mus musculus, Mouse), Gene Dnpep, Length 271 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
1M49.1Very low82.6Confident242 Ų242118 Ų118100%1.19262%0.624SS**  0117.90-83.3175.5162.500108M3M1-M3 PolarHBondContact O-N 2.81Å
2A56.6Low83.8Confident105 Ų105115.5 Ų115.587%0.86861%0.609SS**PPolyproline II helixtrans-65.4124.217700000109.2N4A2-N4 PolarHBondContact O-N 2.92Å
3M61.2Low84.9Confident127 Ų127108.8 Ų108.863%0.62657%0.573SS**PPolyproline II helixtrans-57.4128.8167.7-83.4-177.2176.400108.3M1 A7M1-M3 PolarHBondContact O-N 2.81Å; M3-A7 HydrophobicContact CB-CB 4.36Å; M3-A7 HydrophobicContact CG-CB 4.48Å
4N82.6Confident85.9Confident129 Ų129104.9 Ų104.969%0.6956%0.564SS**PPolyproline II helixtrans-56.1143.1168.7-174.9-3.7000108.9A2 R6 A7 R8A2-N4 PolarHBondContact O-N 2.92Å; N4-R6 PolarHBondContact O-N 3.34Å; N4-A7 WeakPolarHBondContact O-CB 3.21Å; N4-A7 PolarHBondContact O-N 2.87Å; N4-R8 PolarHBondContact O-N 2.76Å
5G86.2Confident86.7Confident54 Ų54103.5 Ų103.556%0.55756%0.561SS**Hα-helixtrans-52.8-29.7-170.900000114.5R8 K9G5-R8 PolarHBondContact O-N 3.06Å; G5-K9 PolarHBondContact O-N 2.96Å
6R91Very high87.4Confident186 Ų18698.1 Ų98.170%0.70254%0.535SS*.Hα-helixtrans-65.6-47173.3-174.2176.1176.4162.64.8113.3N4 R8 K9 E10N4-R6 PolarHBondContact O-N 3.34Å; R6-R8 VanDerWaalsContact C-N 3.27Å; R6-R8 PolarHBondContact O-N 3.01Å; R6-K9 WeakPolarHBondContact O-CB 3.07Å; R6-K9 PolarHBondContact O-N 3.09Å; R6-K9 VanDerWaalsContact O-N 3.16Å; R6-E10 WeakPolarHBondContact CG-OE1 3.32Å; R6-E10 IonicContact NE-OE1 2.72Å; R6-E10 PolarHBondContact NE-OE1 3.3Å; R6-E10 VanDerWaalsContact NE-OE1 3.12Å; R6-E10 WeakPolarHBondContact O-CG 3.43Å; R6-E10 PolarHBondContact O-N 3.29Å
7A94.4Very high88.1Confident38 Ų3898.6 Ų98.631%0.31453%0.527SS..Hα-helixtrans-63.2-36.3177.500000111.3M3 N4 E10 A11M3-A7 HydrophobicContact CB-CB 4.36Å; M3-A7 HydrophobicContact CG-CB 4.48Å; N4-A7 WeakPolarHBondContact O-CB 3.21Å; N4-A7 PolarHBondContact O-N 2.87Å; A7-E10 PolarHBondContact O-N 3.45Å; A7-A11 PolarHBondContact O-N 3.25Å
8R96.3Very high88.7Confident151 Ų15196.8 Ų96.857%0.5752%0.515SS*.Hα-helixtrans-64.6-43.1173.9-178.158.4177.7-175.42.5111.9N4 G5 R6 A11 I12N4-R8 PolarHBondContact O-N 2.76Å; G5-R8 PolarHBondContact O-N 3.06Å; R6-R8 VanDerWaalsContact C-N 3.27Å; R6-R8 PolarHBondContact O-N 3.01Å; R8-A11 PolarHBondContact O-N 3.13Å; R8-I12 HydrophobicContact CG-CD1 4.02Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å; R8-I12 PolarHBondContact O-N 3.33Å; R8-I12 VanDerWaalsContact O-N 3.08Å
9K96.4Very high89.2Confident119 Ų11991.9 Ų91.952%0.51749%0.489SS..Hα-helixtrans-60.6-47.2175.2-178.9177.9178.9176.70111.4G5 R6 A11 I12 Q13G5-K9 PolarHBondContact O-N 2.96Å; R6-K9 WeakPolarHBondContact O-CB 3.07Å; R6-K9 PolarHBondContact O-N 3.09Å; R6-K9 VanDerWaalsContact O-N 3.16Å; K9-A11 VanDerWaalsContact C-N 3.33Å; K9-A11 PolarHBondContact O-N 3.5Å; K9-I12 PolarHBondContact O-N 3.05Å; K9-Q13 HydrophobicContact CG-CG 4.26Å; K9-Q13 WeakPolarHBondContact O-CB 3.48Å; K9-Q13 VanDerWaalsContact O-CG 3.23Å; K9-Q13 WeakPolarHBondContact O-CG 3.49Å; K9-Q13 PolarHBondContact O-N 3.35Å
10E97Very high89.7Confident108 Ų10888.1 Ų88.151%0.50547%0.468SS..Hα-helixtrans-59.2-43.2178.7-73.7167.6-17300111.6R6 A7 Q13 A14R6-E10 WeakPolarHBondContact CG-OE1 3.32Å; R6-E10 IonicContact NE-OE1 2.72Å; R6-E10 PolarHBondContact NE-OE1 3.3Å; R6-E10 VanDerWaalsContact NE-OE1 3.12Å; R6-E10 WeakPolarHBondContact O-CG 3.43Å; R6-E10 PolarHBondContact O-N 3.29Å; A7-E10 PolarHBondContact O-N 3.45Å; E10-Q13 PolarHBondContact O-N 3.45Å; E10-A14 WeakPolarHBondContact O-CB 3.24Å; E10-A14 PolarHBondContact O-N 3.02Å
11A97.4Very high90.2Very high39 Ų3988.6 Ų88.632%0.32247%0.466SS..Hα-helixtrans-62.5-45175.800000113A7 R8 K9 Q13 A14 T15A7-A11 PolarHBondContact O-N 3.25Å; R8-A11 PolarHBondContact O-N 3.13Å; K9-A11 VanDerWaalsContact C-N 3.33Å; K9-A11 PolarHBondContact O-N 3.5Å; A11-Q13 VanDerWaalsContact C-N 3.35Å; A11-Q13 PolarHBondContact O-N 3.4Å; A11-A14 PolarHBondContact O-N 3.28Å; A11-T15 PolarHBondContact O-N 3.49Å; A11-T15 VanDerWaalsContact O-N 3.12Å; A11-T15 PolarHBondContact O-OG1 2.83Å
12I97.6Very high92.5Very high88 Ų8877 Ų7745%0.45141%0.41SS..Hα-helixtrans-61.4-45.9177.8-68.9165.2000110.6R8 K9 A14 T15 A16R8-I12 HydrophobicContact CG-CD1 4.02Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å; R8-I12 PolarHBondContact O-N 3.33Å; R8-I12 VanDerWaalsContact O-N 3.08Å; K9-I12 PolarHBondContact O-N 3.05Å; I12-A14 PolarHBondContact O-N 2.69Å; I12-T15 PolarHBondContact O-N 3.32Å; I12-A16 WeakPolarHBondContact O-CB 3.41Å; I12-A16 PolarHBondContact O-N 2.6Å
13Q97.8Very high94.5Very high28 Ų2872 Ų7213%0.13137%0.368CS..Hα-helixtrans-64.3-39.7179.7-73.7-74.3-3300112.1K9 E10 A11 A16 R17 E253K9-Q13 HydrophobicContact CG-CG 4.26Å; K9-Q13 WeakPolarHBondContact O-CB 3.48Å; K9-Q13 VanDerWaalsContact O-CG 3.23Å; K9-Q13 WeakPolarHBondContact O-CG 3.49Å; K9-Q13 PolarHBondContact O-N 3.35Å; E10-Q13 PolarHBondContact O-N 3.45Å; A11-Q13 VanDerWaalsContact C-N 3.35Å; A11-Q13 PolarHBondContact O-N 3.4Å; Q13-A16 PolarHBondContact O-N 2.74Å; Q13-R17 WeakPolarHBondContact O-CB 3.47Å; Q13-R17 VanDerWaalsContact O-CG 3.26Å; Q13-R17 WeakPolarHBondContact O-CG 3.28Å; Q13-R17 PolarHBondContact O-N 2.88Å; Q13-E253 PolarHBondContact NE2-O 3.5Å
14A98.4Very high96.3Very high55 Ų5568.7 Ų68.746%0.45535%0.353SS..Hα-helixtrans-62.3-48.2176.300000111.8E10 A11 I12 A16 R17 E18E10-A14 WeakPolarHBondContact O-CB 3.24Å; E10-A14 PolarHBondContact O-N 3.02Å; A11-A14 PolarHBondContact O-N 3.28Å; I12-A14 PolarHBondContact O-N 2.69Å; A14-A16 PolarHBondContact O-N 3.06Å; A14-R17 PolarHBondContact O-N 2.82Å; A14-E18 PolarHBondContact O-N 3.04Å
15T98.4Very high97.1Very high84 Ų8469.2 Ų69.252%0.51535%0.345SS..Hα-helixtrans-61.3-44.1177.4-570000111.8A11 I12 R17 E18 L19 F268A11-T15 PolarHBondContact O-N 3.49Å; A11-T15 VanDerWaalsContact O-N 3.12Å; A11-T15 PolarHBondContact O-OG1 2.83Å; I12-T15 PolarHBondContact O-N 3.32Å; T15-R17 PolarHBondContact O-N 3.47Å; T15-E18 PolarHBondContact O-N 3.21Å; T15-L19 PolarHBondContact O-N 2.77Å; T15-L19 VanDerWaalsContact O-N 3.08Å; T15-F268 HydrophobicContact CG2-CE1 4.22Å
16A98.8Very high97.7Very high17 Ų1766.7 Ų66.714%0.1432%0.319CS..Hα-helixtrans-61.1-43.717800000111.5I12 Q13 A14 E18 L19 L20 L248 I256I12-A16 WeakPolarHBondContact O-CB 3.41Å; I12-A16 PolarHBondContact O-N 2.6Å; Q13-A16 PolarHBondContact O-N 2.74Å; A14-A16 PolarHBondContact O-N 3.06Å; A16-E18 VanDerWaalsContact C-N 3.31Å; A16-E18 PolarHBondContact O-N 2.92Å; A16-L19 WeakPolarHBondContact O-CB 3.43Å; A16-L19 PolarHBondContact O-N 3.33Å; A16-L19 VanDerWaalsContact O-N 3.16Å; A16-L20 WeakPolarHBondContact O-CG 3.37Å; A16-L20 PolarHBondContact O-N 2.81Å; A16-L248 HydrophobicContact CB-CD2 3.94Å; A16-I256 HydrophobicContact CB-CD1 4.14Å; A16-I256 HydrophobicContact CB-CG1 4.44Å
17R98.8Very high98.1Very high107 Ų10758.1 Ų58.140%0.40429%0.288SS..Hα-helixtrans-65.3-31.8177.7-71175.5-167-86.1-1.6112.9Q13 A14 T15 L20 K21 L248 E253Q13-R17 WeakPolarHBondContact O-CB 3.47Å; Q13-R17 VanDerWaalsContact O-CG 3.26Å; Q13-R17 WeakPolarHBondContact O-CG 3.28Å; Q13-R17 PolarHBondContact O-N 2.88Å; A14-R17 PolarHBondContact O-N 2.82Å; T15-R17 PolarHBondContact O-N 3.47Å; R17-L20 PolarHBondContact O-N 3.35Å; R17-K21 PolarHBondContact O-N 2.88Å; R17-L248 HydrophobicContact CG-CD1 4.07Å; R17-E253 IonicContact NH2-OE1 2.99Å; R17-E253 IonicContact NH2-OE2 3.52Å; R17-E253 PolarHBondContact NH2-OE2 3.28Å
18E98.8Very high98.3Very high65 Ų6556.5 Ų56.530%0.30427%0.274SS..Hα-helixtrans-67.9-39.3171.7-77.7-56.8127.500112.5A14 T15 A16 L20 K21 F22 R39 F268A14-E18 PolarHBondContact O-N 3.04Å; T15-E18 PolarHBondContact O-N 3.21Å; A16-E18 VanDerWaalsContact C-N 3.31Å; A16-E18 PolarHBondContact O-N 2.92Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.9Å; E18-K21 PolarHBondContact O-N 3.49Å; E18-K21 WeakPolarHBondContact OE1-CD 3.35Å; E18-K21 WeakPolarHBondContact OE1-CE 3.32Å; E18-K21 IonicContact OE1-NZ 2.96Å; E18-K21 PolarHBondContact OE1-NZ 2.99Å; E18-F22 PolarHBondContact O-N 2.84Å; E18-R39 IonicContact OE2-NH1 3.25Å; E18-R39 IonicContact OE2-NH2 2.87Å; E18-F268 HydrophobicContact CB-CE2 4.05Å; E18-F268 HydrophobicContact CB-CZ 3.65Å
19L98.9Very high98.4Very high5 Ų550.5 Ų50.53%0.02625%0.254CS..Hα-helixtrans-60.5-41.6171.2173.363.5000111.4T15 A16 K21 F22 V23 I256 L261 H265 F268T15-L19 PolarHBondContact O-N 2.77Å; T15-L19 VanDerWaalsContact O-N 3.08Å; A16-L19 WeakPolarHBondContact O-CB 3.43Å; A16-L19 PolarHBondContact O-N 3.33Å; A16-L19 VanDerWaalsContact O-N 3.16Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.09Å; L19-F22 WeakPolarHBondContact O-CB 3.45Å; L19-F22 PolarHBondContact O-N 2.93Å; L19-F22 VanDerWaalsContact O-N 3.14Å; L19-V23 HydrophobicContact CD1-CG2 3.89Å; L19-V23 HydrophobicContact CG-CG2 4.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.32Å; L19-I256 HydrophobicContact CD2-CD1 4.01Å; L19-L261 HydrophobicContact CD2-CD2 4.24Å; L19-H265 HydrophobicContact CD2-CB 4.48Å; L19-F268 HydrophobicContact CB-CD1 3.84Å; L19-F268 HydrophobicContact CB-CE1 3.88Å; L19-F268 HydrophobicContact CB-CG 4.33Å; L19-F268 HydrophobicContact CB-CZ 4.41Å; L19-F268 HydrophobicContact CD1-CB 3.66Å; L19-F268 HydrophobicContact CD1-CD1 3.84Å; L19-F268 HydrophobicContact CD1-CG 3.79Å; L19-F268 HydrophobicContact CG-CD1 4.36Å
20L98.9Very high98.5Very high15 Ų1545.1 Ų45.18%0.07923%0.231CC..Hα-helixtrans-58.2-43.2176.8-58.1-176.2000111.6A16 R17 E18 V23 N24 A246 L248 I256A16-L20 WeakPolarHBondContact O-CG 3.37Å; A16-L20 PolarHBondContact O-N 2.81Å; R17-L20 PolarHBondContact O-N 3.35Å; E18-L20 VanDerWaalsContact C-N 3.32Å; E18-L20 PolarHBondContact O-N 2.9Å; L20-V23 PolarHBondContact O-N 3.04Å; L20-N24 VanDerWaalsContact O-CB 3.31Å; L20-N24 WeakPolarHBondContact O-CB 3.2Å; L20-N24 PolarHBondContact O-N 3.31Å; L20-N24 PolarHBondContact O-ND2 2.85Å; L20-A246 HydrophobicContact CB-CB 4.34Å; L20-A246 HydrophobicContact CD2-CB 3.85Å; L20-L248 HydrophobicContact CD1-CD2 4.12Å; L20-L248 HydrophobicContact CD1-CG 3.96Å; L20-I256 HydrophobicContact CD2-CG1 4.38Å; L20-I256 HydrophobicContact CD2-CG2 3.6Å
21K98.9Very high98.6Very high98 Ų9841 Ų4143%0.42621%0.212SC..Hα-helixtrans-62.2-44.8175.6-67174-171.5169.80111.3R17 E18 L19 N24 R25R17-K21 PolarHBondContact O-N 2.88Å; E18-K21 PolarHBondContact O-N 3.49Å; E18-K21 WeakPolarHBondContact OE1-CD 3.35Å; E18-K21 WeakPolarHBondContact OE1-CE 3.32Å; E18-K21 IonicContact OE1-NZ 2.96Å; E18-K21 PolarHBondContact OE1-NZ 2.99Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.09Å; K21-N24 PolarHBondContact O-N 3.02Å; K21-R25 WeakPolarHBondContact O-CB 3.29Å; K21-R25 VanDerWaalsContact O-CG 3.31Å; K21-R25 WeakPolarHBondContact O-CG 3.22Å; K21-R25 PolarHBondContact O-N 3.09Å
22F98.9Very high98.7Very high0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-58.2-49177.5-176.9-91.7000111.4E18 L19 R25 S26 V32 E35 L264 C267 F268 L271E18-F22 PolarHBondContact O-N 2.84Å; L19-F22 WeakPolarHBondContact O-CB 3.45Å; L19-F22 PolarHBondContact O-N 2.93Å; L19-F22 VanDerWaalsContact O-N 3.14Å; F22-R25 PolarHBondContact O-N 2.88Å; F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.49Å; F22-S26 PolarHBondContact O-OG 3.43Å; F22-V32 HydrophobicContact CE1-CG1 4.37Å; F22-V32 HydrophobicContact CZ-CG1 4.04Å; F22-E35 HydrophobicContact CD2-CB 4.46Å; F22-E35 HydrophobicContact CD2-CG 3.44Å; F22-E35 VanDerWaalsContact CD2-CG 3.44Å; F22-E35 HydrophobicContact CE2-CB 4.26Å; F22-E35 HydrophobicContact CE2-CG 3.66Å; F22-E35 HydrophobicContact CG-CG 4.33Å; F22-L264 HydrophobicContact CD1-CB 4.4Å; F22-L264 HydrophobicContact CE1-CB 4.09Å; F22-C267 HydrophobicContact CE1-CB 4.25Å; F22-C267 HydrophobicContact CZ-CB 4.25Å; F22-F268 HydrophobicContact CB-CD2 3.76Å; F22-F268 HydrophobicContact CB-CE2 4.38Å; F22-F268 HydrophobicContact CB-CG 4.42Å; F22-F268 HydrophobicContact CD1-CB 3.87Å; F22-F268 HydrophobicContact CD1-CD2 4.48Å; F22-F268 HydrophobicContact CD2-CD2 4.01Å; F22-F268 HydrophobicContact CE1-CB 4.15Å; F22-F268 HydrophobicContact CG-CB 4.08Å; F22-F268 AromaticContact CG-CD2 3.84Å; F22-F268 HydrophobicContact CG-CD2 3.84Å; F22-F268 HydrophobicContact CG-CG 4.36Å; F22-L271 HydrophobicContact CE2-CD2 4.46Å
23V98.9Very high98.8Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-64.2-44.1179.4170.90000112L19 L20 R25 S26 A246 A258 P259 R260 L264L19-V23 HydrophobicContact CD1-CG2 3.89Å; L19-V23 HydrophobicContact CG-CG2 4.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.32Å; L20-V23 PolarHBondContact O-N 3.04Å; V23-R25 VanDerWaalsContact C-N 3.32Å; V23-R25 PolarHBondContact O-N 3.46Å; V23-S26 PolarHBondContact O-N 3.39Å; V23-S26 VanDerWaalsContact O-N 3.08Å; V23-A246 HydrophobicContact CB-CB 4.48Å; V23-A246 HydrophobicContact CG1-CB 4.2Å; V23-A258 HydrophobicContact CG1-CB 4.27Å; V23-P259 HydrophobicContact CG1-CG 4.12Å; V23-P259 WeakPolarHBondContact CG1-O 3.46Å; V23-R260 PolarHBondContact O-NH2 3.3Å; V23-L264 HydrophobicContact CG2-CB 4.26Å
24N98.8Very high98.8Very high57 Ų5735.7 Ų35.731%0.30519%0.185SC..Hα-helixtrans-65.8-34-179.1-74.5-24.4000112.6L20 K21 S26 A246L20-N24 VanDerWaalsContact O-CB 3.31Å; L20-N24 WeakPolarHBondContact O-CB 3.2Å; L20-N24 PolarHBondContact O-N 3.31Å; L20-N24 PolarHBondContact O-ND2 2.85Å; K21-N24 PolarHBondContact O-N 3.02Å; N24-S26 PolarHBondContact O-N 3.43Å; N24-A246 PolarHBondContact ND2-O 3.25Å; N24-A246 VanDerWaalsContact OD1-CB 3.25Å; N24-A246 WeakPolarHBondContact OD1-CB 3.41Å; N24-A246 PolarHBondContact OD1-N 3.03Å
25R98.8Very high98.8Very high140 Ų14034 Ų3453%0.52817%0.167SC..THydrogen-bonded Turntrans-78.6-5.7174.5-69.4175.2-179.2172.5-1.9113.9K21 F22 V23 P27 E35K21-R25 WeakPolarHBondContact O-CB 3.29Å; K21-R25 VanDerWaalsContact O-CG 3.31Å; K21-R25 WeakPolarHBondContact O-CG 3.22Å; K21-R25 PolarHBondContact O-N 3.09Å; F22-R25 PolarHBondContact O-N 2.88Å; V23-R25 VanDerWaalsContact C-N 3.32Å; V23-R25 PolarHBondContact O-N 3.46Å; R25-P27 WeakPolarHBondContact O-CD 3.41Å; R25-E35 WeakPolarHBondContact CD-OE2 3.48Å; R25-E35 IonicContact NH1-OE1 3.83Å; R25-E35 PolarHBondContact NH1-OE1 3.34Å; R25-E35 IonicContact NH1-OE2 2.78Å
26S98.8Very high98.9Very high0 Ų030.2 Ų30.20%014%0.144CC..  trans-12058.9-171.2-58.80000113.3F22 V23 N24 S28 R260F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.49Å; F22-S26 PolarHBondContact O-OG 3.43Å; V23-S26 PolarHBondContact O-N 3.39Å; V23-S26 VanDerWaalsContact O-N 3.08Å; N24-S26 PolarHBondContact O-N 3.43Å; S26-S28 VanDerWaalsContact C-N 3.25Å; S26-S28 PolarHBondContact O-N 2.97Å; S26-R260 PolarHBondContact O-NE 3.47Å
27P98.8Very high98.9Very high7 Ų734.1 Ų34.15%0.04516%0.156CC..SBendtrans-73.3-10.5-178.431.6-39.1000114.5R25 H31 A135 A241R25-P27 WeakPolarHBondContact O-CD 3.41Å; P27-H31 HydrophobicContact CG-CB 4.35Å; P27-A135 HydrophobicContact CB-CB 3.56Å; P27-A135 HydrophobicContact CG-CB 3.31Å; P27-A241 HydrophobicContact CB-CB 3.86Å
28S98.9Very high98.9Very high3 Ų331.3 Ų31.32%0.02115%0.152CC..SBendtrans-146.4163.6172.8770000111.3S26 F30 H31 V32S26-S28 VanDerWaalsContact C-N 3.25Å; S26-S28 PolarHBondContact O-N 2.97Å; S28-F30 PolarHBondContact O-N 3.1Å; S28-F30 VanDerWaalsContact O-N 3.1Å; S28-H31 WeakPolarHBondContact O-CA 3.47Å; S28-H31 WeakPolarHBondContact O-CB 3.4Å; S28-H31 PolarHBondContact O-N 3.33Å; S28-H31 PolarHBondContact OG-ND1 3.04Å; S28-V32 WeakPolarHBondContact O-CG2 3.46Å; S28-V32 PolarHBondContact O-N 3.32Å
29P98.9Very high98.9Very high25 Ų2530.7 Ų30.716%0.16215%0.147CC..Hα-helixtrans-56.5-31.8-178.2-24.433.3000113.3V32 V33 D94P29-V32 WeakPolarHBondContact O-CB 3.21Å; P29-V32 PolarHBondContact O-N 2.55Å; P29-V33 PolarHBondContact O-N 2.86Å; P29-V33 VanDerWaalsContact O-N 3.14Å; P29-D94 HydrophobicContact CG-CB 4.04Å
30F98.9Very high98.9Very high7 Ų730.7 Ų30.73%0.03115%0.147CC..Hα-helixtrans-68.3-35.9176.9-46.3-69.8000112.4S28 A34 S68 R137 L152 E237S28-F30 PolarHBondContact O-N 3.1Å; S28-F30 VanDerWaalsContact O-N 3.1Å; F30-A34 WeakPolarHBondContact O-CB 3.32Å; F30-A34 PolarHBondContact O-N 3.18Å; F30-S68 WeakPolarHBondContact CA-O 3.08Å; F30-R137 HydrophobicContact CD1-CG 4.39Å; F30-R137 HydrophobicContact CD2-CB 4.22Å; F30-R137 HydrophobicContact CD2-CG 4.05Å; F30-R137 HydrophobicContact CE1-CG 4.17Å; F30-R137 HydrophobicContact CE2-CB 4.46Å; F30-R137 HydrophobicContact CE2-CG 3.79Å; F30-R137 HydrophobicContact CG-CB 4.36Å; F30-R137 HydrophobicContact CG-CG 4.34Å; F30-R137 HydrophobicContact CZ-CG 3.86Å; F30-L152 HydrophobicContact CB-CD2 3.54Å; F30-E237 HydrophobicContact CE2-CB 3.99Å; F30-E237 HydrophobicContact CZ-CB 4.09Å
31H98.9Very high98.9Very high22 Ų2233.6 Ų33.610%0.10216%0.163CC..Hα-helixtrans-74.3-32.5175.6-68.382000111.9P27 S28 A34 E35 G136 V153P27-H31 HydrophobicContact CG-CB 4.35Å; S28-H31 WeakPolarHBondContact O-CA 3.47Å; S28-H31 WeakPolarHBondContact O-CB 3.4Å; S28-H31 PolarHBondContact O-N 3.33Å; S28-H31 PolarHBondContact OG-ND1 3.04Å; H31-A34 PolarHBondContact O-N 3.31Å; H31-E35 WeakPolarHBondContact O-CB 3.48Å; H31-E35 PolarHBondContact O-N 2.86Å; H31-G136 PolarHBondContact CE1-O 3.11Å; H31-V153 PolarHBondContact CE1-O 3.47Å; H31-V153 VanDerWaalsContact CE1-O 3.31Å
32V98.9Very high98.9Very high1 Ų136.2 Ų36.21%0.00618%0.176CC..Hα-helixtrans-57.9-51.9171.1-178.90000109.9F22 S28 P29 A34 E35 C36 T93 L264F22-V32 HydrophobicContact CE1-CG1 4.37Å; F22-V32 HydrophobicContact CZ-CG1 4.04Å; S28-V32 WeakPolarHBondContact O-CG2 3.46Å; S28-V32 PolarHBondContact O-N 3.32Å; P29-V32 WeakPolarHBondContact O-CB 3.21Å; P29-V32 PolarHBondContact O-N 2.55Å; V32-A34 VanDerWaalsContact C-N 3.3Å; V32-A34 PolarHBondContact O-N 3.34Å; V32-E35 PolarHBondContact O-N 3.31Å; V32-C36 PolarHBondContact O-N 3.2Å; V32-C36 PolarHBondContact O-SG 2.84Å; V32-T93 HydrophobicContact CB-CG2 4.41Å; V32-T93 HydrophobicContact CG1-CG2 3.77Å; V32-L264 HydrophobicContact CB-CD2 4.27Å; V32-L264 HydrophobicContact CG1-CD2 3.75Å; V32-L264 HydrophobicContact CG2-CD1 3.87Å; V32-L264 HydrophobicContact CG2-CD2 3.45Å; V32-L264 VanDerWaalsContact CG2-CD2 3.45Å; V32-L264 HydrophobicContact CG2-CG 4.32Å
33V98.9Very high98.9Very high5 Ų538.6 Ų38.63%0.0320%0.196CC..Hα-helixtrans-62.1-38.5178.2169.60000111.7P29 C36 R37 T65 S68 S69 I71 T93P29-V33 PolarHBondContact O-N 2.86Å; P29-V33 VanDerWaalsContact O-N 3.14Å; V33-C36 PolarHBondContact O-N 3.06Å; V33-R37 VanDerWaalsContact O-CB 3.22Å; V33-R37 WeakPolarHBondContact O-CB 3.39Å; V33-R37 PolarHBondContact O-N 2.9Å; V33-T65 HydrophobicContact CG1-CG2 3.54Å; V33-S68 WeakPolarHBondContact CB-O 3.23Å; V33-S69 VanDerWaalsContact CG2-C 3.43Å; V33-I71 HydrophobicContact CG1-CB 4.28Å; V33-I71 HydrophobicContact CG2-CB 4.29Å; V33-I71 HydrophobicContact CG2-CG2 4.31Å; V33-T93 HydrophobicContact CG2-CG2 4.34Å
34A98.9Very high98.8Very high37 Ų3741.1 Ų41.131%0.30622%0.222SC..Hα-helixtrans-64.6-42.7176.800000112.7F30 H31 V32 R37 S38 L152F30-A34 WeakPolarHBondContact O-CB 3.32Å; F30-A34 PolarHBondContact O-N 3.18Å; H31-A34 PolarHBondContact O-N 3.31Å; V32-A34 VanDerWaalsContact C-N 3.3Å; V32-A34 PolarHBondContact O-N 3.34Å; A34-R37 PolarHBondContact O-N 2.85Å; A34-S38 WeakPolarHBondContact O-CB 3.49Å; A34-S38 PolarHBondContact O-N 2.93Å; A34-L152 HydrophobicContact CB-CD1 3.66Å
35E98.9Very high98.8Very high18 Ų1840.2 Ų40.28%0.08422%0.215CC..Hα-helixtrans-65.5-43.4175.1178.866.6-174.300110.9F22 R25 H31 V32 S38 R39F22-E35 HydrophobicContact CD2-CB 4.46Å; F22-E35 HydrophobicContact CD2-CG 3.44Å; F22-E35 VanDerWaalsContact CD2-CG 3.44Å; F22-E35 HydrophobicContact CE2-CB 4.26Å; F22-E35 HydrophobicContact CE2-CG 3.66Å; F22-E35 HydrophobicContact CG-CG 4.33Å; R25-E35 WeakPolarHBondContact CD-OE2 3.48Å; R25-E35 IonicContact NH1-OE1 3.83Å; R25-E35 PolarHBondContact NH1-OE1 3.34Å; R25-E35 IonicContact NH1-OE2 2.78Å; H31-E35 WeakPolarHBondContact O-CB 3.48Å; H31-E35 PolarHBondContact O-N 2.86Å; V32-E35 PolarHBondContact O-N 3.31Å; E35-S38 WeakPolarHBondContact O-CB 3.41Å; E35-S38 PolarHBondContact O-N 2.73Å; E35-R39 WeakPolarHBondContact O-CG 3.39Å; E35-R39 PolarHBondContact O-N 2.93Å; E35-R39 IonicContact OE1-CZ 2.66Å; E35-R39 VanDerWaalsContact OE1-CZ 3.25Å; E35-R39 IonicContact OE1-NE 3.23Å; E35-R39 PolarHBondContact OE1-NE 3.1Å; E35-R39 IonicContact OE1-NH2 2.87Å; E35-R39 PolarHBondContact OE1-NH2 2.74Å
36C98.9Very high98.8Very high5 Ų539.6 Ų39.63%0.03421%0.213CC..Hα-helixtrans-60-47.8174.4-660000111.6V32 V33 S38 R39 L40 I71 L271V32-C36 PolarHBondContact O-N 3.2Å; V32-C36 PolarHBondContact O-SG 2.84Å; V33-C36 PolarHBondContact O-N 3.06Å; C36-S38 VanDerWaalsContact C-N 3.32Å; C36-S38 PolarHBondContact O-N 2.99Å; C36-R39 PolarHBondContact O-N 2.96Å; C36-L40 WeakPolarHBondContact O-CB 3.23Å; C36-L40 WeakPolarHBondContact O-CD1 3.18Å; C36-L40 VanDerWaalsContact O-CG 3.26Å; C36-L40 WeakPolarHBondContact O-CG 3.41Å; C36-L40 PolarHBondContact O-N 2.81Å; C36-I71 HydrophobicContact CB-CD1 3.8Å; C36-I71 HydrophobicContact CB-CG2 4.22Å; C36-L271 HydrophobicContact CB-CD1 4.25Å; C36-L271 HydrophobicContact CB-CD2 3.93Å
37R98.9Very high98.8Very high100 Ų10043 Ų4338%0.37723%0.229SC..Hα-helixtrans-56.2-46.2176172.5169.4-174.1-83.1-1.7111.3V33 A34 L40 L41 E47 F63 I71V33-R37 VanDerWaalsContact O-CB 3.22Å; V33-R37 WeakPolarHBondContact O-CB 3.39Å; V33-R37 PolarHBondContact O-N 2.9Å; A34-R37 PolarHBondContact O-N 2.85Å; R37-L40 PolarHBondContact O-N 3.19Å; R37-L41 HydrophobicContact CG-CD1 3.91Å; R37-L41 HydrophobicContact CG-CG 4.47Å; R37-L41 WeakPolarHBondContact O-CB 3.33Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.31Å; R37-L41 PolarHBondContact O-N 3.5Å; R37-E47 IonicContact CZ-OE1 3.19Å; R37-E47 IonicContact CZ-OE2 3.47Å; R37-E47 VanDerWaalsContact CZ-OE2 3.23Å; R37-E47 VanDerWaalsContact NE-CD 3.32Å; R37-E47 IonicContact NE-OE1 3.98Å; R37-E47 PolarHBondContact NE-OE1 3.19Å; R37-E47 IonicContact NE-OE2 2.62Å; R37-E47 PolarHBondContact NE-OE2 3.15Å; R37-E47 IonicContact NH2-OE1 3.23Å; R37-E47 IonicContact NH2-OE2 3.12Å; R37-E47 PolarHBondContact NH2-OE2 2.86Å; R37-F63 HydrophobicContact CB-CE2 4.1Å; R37-F63 HydrophobicContact CB-CZ 4.43Å; R37-F63 HydrophobicContact CG-CE2 3.68Å; R37-F63 HydrophobicContact CG-CZ 3.69Å; R37-I71 HydrophobicContact CB-CD1 4.49Å
38S98.9Very high98.8Very high48 Ų4843.3 Ų43.334%0.33623%0.23SC..Hα-helixtrans-58.4-48.7178.1-174.70000111.8A34 E35 C36 L41 Q42A34-S38 WeakPolarHBondContact O-CB 3.49Å; A34-S38 PolarHBondContact O-N 2.93Å; E35-S38 WeakPolarHBondContact O-CB 3.41Å; E35-S38 PolarHBondContact O-N 2.73Å; C36-S38 VanDerWaalsContact C-N 3.32Å; C36-S38 PolarHBondContact O-N 2.99Å; S38-L41 PolarHBondContact O-N 3.3Å; S38-Q42 VanDerWaalsContact O-CG 3.31Å; S38-Q42 WeakPolarHBondContact O-CG 3.48Å; S38-Q42 PolarHBondContact O-N 3.23Å
39R98.8Very high98.8Very high52 Ų5249.1 Ų49.120%0.19626%0.255CS..Hα-helixtrans-64.4-41.5178.4-70175.5179.8-100.9-3.9112.8E18 E35 C36 Q42 A43 L271E18-R39 IonicContact OE2-NH1 3.25Å; E18-R39 IonicContact OE2-NH2 2.87Å; E35-R39 WeakPolarHBondContact O-CG 3.39Å; E35-R39 PolarHBondContact O-N 2.93Å; E35-R39 IonicContact OE1-CZ 2.66Å; E35-R39 VanDerWaalsContact OE1-CZ 3.25Å; E35-R39 IonicContact OE1-NE 3.23Å; E35-R39 PolarHBondContact OE1-NE 3.1Å; E35-R39 IonicContact OE1-NH2 2.87Å; E35-R39 PolarHBondContact OE1-NH2 2.74Å; C36-R39 PolarHBondContact O-N 2.96Å; R39-Q42 WeakPolarHBondContact O-CB 3.49Å; R39-Q42 PolarHBondContact O-N 3.28Å; R39-A43 WeakPolarHBondContact O-CB 3.39Å; R39-A43 PolarHBondContact O-N 2.86Å; R39-L271 HydrophobicContact CB-CD2 4.03Å
40L98.9Very high98.8Very high5 Ų551.9 Ų51.93%0.02627%0.266CS..Hα-helixtrans-63.8-43.5177.3-73.4163.6000112C36 R37 Q42 A43 G44 F45 F63 I71 A73 L271C36-L40 WeakPolarHBondContact O-CB 3.23Å; C36-L40 WeakPolarHBondContact O-CD1 3.18Å; C36-L40 VanDerWaalsContact O-CG 3.26Å; C36-L40 WeakPolarHBondContact O-CG 3.41Å; C36-L40 PolarHBondContact O-N 2.81Å; R37-L40 PolarHBondContact O-N 3.19Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-A43 CarbonylContact O-C 3.59Å; L40-A43 PolarHBondContact O-N 3.4Å; L40-A43 VanDerWaalsContact O-N 3.15Å; L40-G44 PolarHBondContact O-N 3.03Å; L40-F45 HydrophobicContact CB-CB 4.05Å; L40-F45 HydrophobicContact CB-CD2 4.43Å; L40-F45 HydrophobicContact CB-CG 4.22Å; L40-F45 HydrophobicContact CD2-CB 4.46Å; L40-F45 HydrophobicContact CD2-CD1 3.75Å; L40-F45 HydrophobicContact CD2-CD2 3.79Å; L40-F45 HydrophobicContact CD2-CE1 3.86Å; L40-F45 HydrophobicContact CD2-CE2 3.87Å; L40-F45 HydrophobicContact CD2-CG 3.75Å; L40-F45 HydrophobicContact CD2-CZ 3.92Å; L40-F45 WeakPolarHBondContact O-CB 3.5Å; L40-F45 WeakPolarHBondContact O-CD2 3.48Å; L40-F45 PolarHBondContact O-N 3.06Å; L40-F63 HydrophobicContact CB-CD1 4Å; L40-F63 HydrophobicContact CB-CE1 4.24Å; L40-F63 HydrophobicContact CB-CG 4.45Å; L40-F63 HydrophobicContact CD1-CB 3.9Å; L40-F63 HydrophobicContact CD1-CD1 4.29Å; L40-F63 HydrophobicContact CD1-CD2 4.3Å; L40-F63 HydrophobicContact CD1-CG 3.9Å; L40-I71 HydrophobicContact CD1-CD1 3.54Å; L40-I71 HydrophobicContact CD1-CG1 4.35Å; L40-A73 HydrophobicContact CD1-CB 3.75Å; L40-A73 HydrophobicContact CD2-CB 3.69Å; L40-A73 HydrophobicContact CG-CB 4.4Å; L40-L271 HydrophobicContact CD1-CD1 3.84Å; L40-L271 HydrophobicContact CD2-CD1 3.79Å; L40-L271 HydrophobicContact CG-CD1 3.73Å
41L98.8Very high98.7Very high76 Ų7658.1 Ų58.140%0.39831%0.305SS..Hα-helixtrans-61.4-43.7174.6-71.6169.1000111.2R37 S38 A43 G44 F63R37-L41 HydrophobicContact CG-CD1 3.91Å; R37-L41 HydrophobicContact CG-CG 4.47Å; R37-L41 WeakPolarHBondContact O-CB 3.33Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.31Å; R37-L41 PolarHBondContact O-N 3.5Å; S38-L41 PolarHBondContact O-N 3.3Å; L41-A43 PolarHBondContact O-N 3.2Å; L41-G44 PolarHBondContact O-N 3.12Å; L41-F63 HydrophobicContact CD2-CE1 3.85Å; L41-F63 HydrophobicContact CD2-CZ 4.04Å; L41-F63 HydrophobicContact CG-CE1 4.03Å; L41-F63 HydrophobicContact CG-CZ 4.02Å
42Q98.6Very high98.7Very high152 Ų15262 Ų6271%0.7132%0.323SS*.Hα-helixtrans-61.7-33.1174.4-71.7171.5100112.5S38 R39 L40 G44S38-Q42 VanDerWaalsContact O-CG 3.31Å; S38-Q42 WeakPolarHBondContact O-CG 3.48Å; S38-Q42 PolarHBondContact O-N 3.23Å; R39-Q42 WeakPolarHBondContact O-CB 3.49Å; R39-Q42 PolarHBondContact O-N 3.28Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; Q42-G44 PolarHBondContact O-N 3.03Å
43A98.6Very high98.6Very high51 Ų5165.8 Ų65.842%0.42136%0.362SS..THydrogen-bonded Turntrans-81.34.717500000113.7R39 L40 L41 F45 K61R39-A43 WeakPolarHBondContact O-CB 3.39Å; R39-A43 PolarHBondContact O-N 2.86Å; L40-A43 CarbonylContact O-C 3.59Å; L40-A43 PolarHBondContact O-N 3.4Å; L40-A43 VanDerWaalsContact O-N 3.15Å; L41-A43 PolarHBondContact O-N 3.2Å; A43-F45 HydrophobicContact CB-CD2 3.98Å; A43-F45 HydrophobicContact CB-CE2 4.13Å; A43-K61 PolarHBondContact O-NZ 3.12Å
44G98.7Very high98.6Very high53 Ų5370.9 Ų70.955%0.54638%0.381SS..THydrogen-bonded Turntrans77.425.1176.700000114.6L40 L41 Q42L40-G44 PolarHBondContact O-N 3.03Å; L41-G44 PolarHBondContact O-N 3.12Å; Q42-G44 PolarHBondContact O-N 3.03Å
45F98.8Very high98.5Very high37 Ų3774.8 Ų74.816%0.16240%0.397CS..PPolyproline II helixtrans-78.9145168.2-72.7-118.4000110.5L40 A43 K61 Y62 F63 A73L40-F45 HydrophobicContact CB-CB 4.05Å; L40-F45 HydrophobicContact CB-CD2 4.43Å; L40-F45 HydrophobicContact CB-CG 4.22Å; L40-F45 HydrophobicContact CD2-CB 4.46Å; L40-F45 HydrophobicContact CD2-CD1 3.75Å; L40-F45 HydrophobicContact CD2-CD2 3.79Å; L40-F45 HydrophobicContact CD2-CE1 3.86Å; L40-F45 HydrophobicContact CD2-CE2 3.87Å; L40-F45 HydrophobicContact CD2-CG 3.75Å; L40-F45 HydrophobicContact CD2-CZ 3.92Å; L40-F45 WeakPolarHBondContact O-CB 3.5Å; L40-F45 WeakPolarHBondContact O-CD2 3.48Å; L40-F45 PolarHBondContact O-N 3.06Å; A43-F45 HydrophobicContact CB-CD2 3.98Å; A43-F45 HydrophobicContact CB-CE2 4.13Å; F45-K61 WeakPolarHBondContact CA-O 3.4Å; F45-K61 HydrophobicContact CB-CB 4.29Å; F45-K61 HydrophobicContact CD1-CB 3.58Å; F45-K61 HydrophobicContact CD2-CB 3.97Å; F45-K61 HydrophobicContact CD2-CD 4.08Å; F45-K61 HydrophobicContact CE1-CB 3.77Å; F45-K61 HydrophobicContact CE1-CG 4.33Å; F45-K61 HydrophobicContact CE2-CB 4.15Å; F45-K61 HydrophobicContact CE2-CD 3.71Å; F45-K61 HydrophobicContact CE2-CG 4.37Å; F45-K61 HydrophobicContact CG-CB 3.67Å; F45-K61 HydrophobicContact CZ-CB 4.05Å; F45-K61 HydrophobicContact CZ-CD 3.94Å; F45-K61 HydrophobicContact CZ-CG 4.22Å; F45-Y62 WeakPolarHBondContact CD1-O 3.36Å; F45-F63 HydrophobicContact CB-CD1 3.81Å; F45-F63 HydrophobicContact CB-CE1 4.36Å; F45-A73 HydrophobicContact CD1-CB 4.45Å; F45-A73 HydrophobicContact CE1-CB 4.24Å
46R98.7Very high98.5Very high128 Ų12876.9 Ų76.948%0.48341%0.408SS..EExtended strand (participates in β ladder)trans-95.3129175-174.5176.178.3-176.42.4111D55 K61 Y62 F63R46-D55 PolarHBondContact NH2-O 2.94Å; R46-K61 PolarHBondContact N-O 2.97Å; R46-Y62 HydrophobicContact CB-CD1 4.05Å; R46-Y62 HydrophobicContact CB-CE1 4.43Å; R46-Y62 CarbonylContact O-C 3.33Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.28Å; R46-F63 PolarHBondContact O-N 2.9Å
47E98.8Very high98.5Very high71 Ų7179.4 Ų79.433%0.33242%0.423SS..EExtended strand (participates in β ladder)trans-70.9131.1172.2-168.9165.3-15600110.6R37 F63R37-E47 IonicContact CZ-OE1 3.19Å; R37-E47 IonicContact CZ-OE2 3.47Å; R37-E47 VanDerWaalsContact CZ-OE2 3.23Å; R37-E47 VanDerWaalsContact NE-CD 3.32Å; R37-E47 IonicContact NE-OE1 3.98Å; R37-E47 PolarHBondContact NE-OE1 3.19Å; R37-E47 IonicContact NE-OE2 2.62Å; R37-E47 PolarHBondContact NE-OE2 3.15Å; R37-E47 IonicContact NH2-OE1 3.23Å; R37-E47 IonicContact NH2-OE2 3.12Å; R37-E47 PolarHBondContact NH2-OE2 2.86Å; E47-F63 CarbonylContact C-O 3.51Å; E47-F63 WeakPolarHBondContact CA-O 3.49Å; E47-F63 HydrophobicContact CB-CE1 3.76Å; E47-F63 HydrophobicContact CB-CE2 3.96Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.4Å; E47-F63 HydrophobicContact CG-CE1 4.4Å; E47-F63 HydrophobicContact CG-CE2 3.67Å; E47-F63 HydrophobicContact CG-CZ 3.67Å
48L98.8Very high98.5Very high14 Ų1477.1 Ų77.17%0.07342%0.421CS..PPolyproline II helixtrans-102.9139.4172.2-60.5177.3000109.7W54 I56 Y62 F63 L64 F74L48-W54 HydrophobicContact CB-CZ2 4.26Å; L48-W54 HydrophobicContact CD1-CD2 3.98Å; L48-W54 HydrophobicContact CD1-CE3 4.17Å; L48-W54 HydrophobicContact CD1-CG 4.32Å; L48-I56 HydrophobicContact CD1-CD1 3.72Å; L48-Y62 HydrophobicContact CD1-CD1 4.22Å; L48-Y62 HydrophobicContact CD1-CG 4.07Å; L48-Y62 HydrophobicContact CD2-CD1 3.86Å; L48-Y62 HydrophobicContact CD2-CE1 4.47Å; L48-Y62 HydrophobicContact CG-CD1 4.13Å; L48-Y62 HydrophobicContact CG-CG 4.38Å; L48-F63 PolarHBondContact N-O 3.05Å; L48-L64 HydrophobicContact CB-CB 4.43Å; L48-F74 HydrophobicContact CD1-CE1 4.21Å; L48-F74 HydrophobicContact CD1-CZ 3.77Å
49K98.4Very high98.4Very high124 Ų12482.4 Ų82.454%0.53944%0.44SS..PPolyproline II helixtrans-96125.7169.7-71.4168.1178.2178.10109.4T51 E52 W54K49-T51 PolarHBondContact O-N 3.37Å; K49-E52 HydrophobicContact CB-CB 4.33Å; K49-E52 HydrophobicContact CB-CG 4.04Å; K49-E52 HydrophobicContact CD-CG 4.25Å; K49-E52 WeakPolarHBondContact CD-OE1 3.19Å; K49-E52 IonicContact NZ-OE1 2.92Å; K49-E52 PolarHBondContact NZ-OE1 3.49Å; K49-E52 PolarHBondContact O-N 3.02Å; K49-E52 VanDerWaalsContact O-N 3.09Å; K49-W54 PolarHBondContact O-NE1 3.03Å
50E98.2Very high98.4Very high84 Ų8483.2 Ų83.239%0.39345%0.449SS..THydrogen-bonded Turntrans-68.4-16.9-175.9-166.3165.3-157.400114.9E52 W54 L64 R66E50-E52 VanDerWaalsContact C-N 3.33Å; E50-W54 HydrophobicContact CB-CZ2 4.31Å; E50-W54 HydrophobicContact CG-CZ2 4.31Å; E50-L64 HydrophobicContact CB-CD1 4.42Å; E50-L64 HydrophobicContact CG-CD1 4.39Å; E50-R66 IonicContact OE1-CZ 3.53Å; E50-R66 IonicContact OE1-NE 3.69Å; E50-R66 IonicContact OE1-NH2 2.61Å; E50-R66 PolarHBondContact OE1-NH2 3.2Å; E50-R66 IonicContact OE2-CZ 3.13Å; E50-R66 IonicContact OE2-NE 2.63Å; E50-R66 PolarHBondContact OE2-NE 2.84Å; E50-R66 IonicContact OE2-NH2 2.99Å; E50-R66 PolarHBondContact OE2-NH2 2.84Å
51T98.2Very high98.4Very high138 Ų13886.8 Ų86.885%0.84746%0.464SS*.THydrogen-bonded Turntrans-85.7-4.4175.455.90000113.5K49K49-T51 PolarHBondContact O-N 3.37Å
52E98.1Very high98.4Very high102 Ų10283.3 Ų83.348%0.47745%0.446SS..SBendtrans-109153.8-177.9-65.3176.6-177.300110.3K49 E50 W54K49-E52 HydrophobicContact CB-CB 4.33Å; K49-E52 HydrophobicContact CB-CG 4.04Å; K49-E52 HydrophobicContact CD-CG 4.25Å; K49-E52 WeakPolarHBondContact CD-OE1 3.19Å; K49-E52 IonicContact NZ-OE1 2.92Å; K49-E52 PolarHBondContact NZ-OE1 3.49Å; K49-E52 PolarHBondContact O-N 3.02Å; K49-E52 VanDerWaalsContact O-N 3.09Å; E50-E52 VanDerWaalsContact C-N 3.33Å; E52-W54 PolarHBondContact O-NE1 3.11Å
53G97.6Very high98.4Very high81 Ų8176 Ų7684%0.83541%0.412SS*.  trans-67.1141.3171.300000111
54W98.3Very high98.4Very high112 Ų11274.4 Ų74.442%0.42440%0.396SS..  trans-109135.5-177.4-59.3-12.9000111.8L48 K49 E50 E52 I56 L64L48-W54 HydrophobicContact CB-CZ2 4.26Å; L48-W54 HydrophobicContact CD1-CD2 3.98Å; L48-W54 HydrophobicContact CD1-CE3 4.17Å; L48-W54 HydrophobicContact CD1-CG 4.32Å; K49-W54 PolarHBondContact O-NE1 3.03Å; E50-W54 HydrophobicContact CB-CZ2 4.31Å; E50-W54 HydrophobicContact CG-CZ2 4.31Å; E52-W54 PolarHBondContact O-NE1 3.11Å; W54-I56 HydrophobicContact CB-CD1 4.06Å; W54-I56 HydrophobicContact CB-CG1 4.18Å; W54-L64 HydrophobicContact CH2-CD1 3.73Å; W54-L64 HydrophobicContact CH2-CD2 4.28Å; W54-L64 HydrophobicContact CZ2-CD1 3.99Å
55D97.2Very high98.5Very high120 Ų12073.5 Ų73.564%0.64238%0.38SS*.  trans-111.9109.5164-176.225.9000108.5R46R46-D55 PolarHBondContact NH2-O 2.94Å
56I98.4Very high98.4Very high62 Ų6278.9 Ų78.932%0.31840%0.399SS..  trans-106.3113.2-172.5-58.3-58.2000108.4L48 W54 Y62 F74 V76L48-I56 HydrophobicContact CD1-CD1 3.72Å; W54-I56 HydrophobicContact CB-CD1 4.06Å; W54-I56 HydrophobicContact CB-CG1 4.18Å; I56-Y62 HydrophobicContact CD1-CD2 4.12Å; I56-Y62 HydrophobicContact CD1-CE2 4.11Å; I56-Y62 HydrophobicContact CD1-CG 4.32Å; I56-Y62 HydrophobicContact CG2-CD2 4.36Å; I56-Y62 HydrophobicContact CG2-CE2 3.9Å; I56-F74 HydrophobicContact CD1-CE2 4.18Å; I56-F74 HydrophobicContact CD1-CZ 4.04Å; I56-F74 HydrophobicContact CG2-CE2 4.16Å; I56-V76 HydrophobicContact CG2-CG2 3.59Å
57V98.3Very high98.4Very high58 Ų5876.8 Ų76.835%0.35240%0.398SS..  trans-109.1140.4-171.9-174.50000109.8N60 Y62V57-N60 WeakPolarHBondContact O-CB 3.33Å; V57-N60 PolarHBondContact O-N 2.92Å; V57-Y62 PolarHBondContact N-OH 3.31Å; V57-Y62 VanDerWaalsContact N-OH 3.09Å
58P98.6Very high98.4Very high52 Ų5275.1 Ų75.134%0.33839%0.394SS..THydrogen-bonded Turntrans-51.8154.6168.5-27.136000113N60P58-N60 PolarHBondContact O-N 3.2Å; P58-N60 VanDerWaalsContact O-N 3.11Å; P58-N60 PolarHBondContact O-ND2 2.99Å
59E98.3Very high98.4Very high158 Ų15875.6 Ų75.674%0.73840%0.398SS*.THydrogen-bonded Turntrans63.110.4-177.4-53.1-174-157.800115.2V76E59-V76 WeakPolarHBondContact CA-O 3.29Å; E59-V76 PolarHBondContact N-O 3.25Å
60N98.6Very high98.4Very high69 Ų6972.8 Ų72.837%0.36939%0.394SS..  trans-109.8162.1176.2-72-97.1000112.4V57 P58 Y62 V76V57-N60 WeakPolarHBondContact O-CB 3.33Å; V57-N60 PolarHBondContact O-N 2.92Å; P58-N60 PolarHBondContact O-N 3.2Å; P58-N60 VanDerWaalsContact O-N 3.11Å; P58-N60 PolarHBondContact O-ND2 2.99Å; N60-Y62 HydrophobicContact CB-CE1 4.19Å; N60-Y62 HydrophobicContact CB-CE2 3.6Å; N60-Y62 WeakPolarHBondContact CB-OH 3.17Å; N60-V76 PolarHBondContact O-N 3.1Å
61K98.8Very high98.5Very high81 Ų8170.7 Ų70.735%0.35239%0.385SS..EExtended strand (participates in β ladder)trans-129.3132.2-172.8-63.5178.7-67.7-1790110A43 F45 R46 A75A43-K61 PolarHBondContact O-NZ 3.12Å; F45-K61 WeakPolarHBondContact CA-O 3.4Å; F45-K61 HydrophobicContact CB-CB 4.29Å; F45-K61 HydrophobicContact CD1-CB 3.58Å; F45-K61 HydrophobicContact CD2-CB 3.97Å; F45-K61 HydrophobicContact CD2-CD 4.08Å; F45-K61 HydrophobicContact CE1-CB 3.77Å; F45-K61 HydrophobicContact CE1-CG 4.33Å; F45-K61 HydrophobicContact CE2-CB 4.15Å; F45-K61 HydrophobicContact CE2-CD 3.71Å; F45-K61 HydrophobicContact CE2-CG 4.37Å; F45-K61 HydrophobicContact CG-CB 3.67Å; F45-K61 HydrophobicContact CZ-CB 4.05Å; F45-K61 HydrophobicContact CZ-CD 3.94Å; F45-K61 HydrophobicContact CZ-CG 4.22Å; R46-K61 PolarHBondContact N-O 2.97Å; K61-A75 HydrophobicContact CG-CB 3.87Å
62Y98.9Very high98.5Very high2 Ų269.3 Ų69.31%0.00837%0.371CS..EExtended strand (participates in β ladder)trans-139.2154.4-170.9-53-75.4000111.8F45 R46 L48 I56 V57 N60 A73 F74 V76F45-Y62 WeakPolarHBondContact CD1-O 3.36Å; R46-Y62 HydrophobicContact CB-CD1 4.05Å; R46-Y62 HydrophobicContact CB-CE1 4.43Å; R46-Y62 CarbonylContact O-C 3.33Å; R46-Y62 VanDerWaalsContact O-CA 3.25Å; R46-Y62 WeakPolarHBondContact O-CA 3.28Å; L48-Y62 HydrophobicContact CD1-CD1 4.22Å; L48-Y62 HydrophobicContact CD1-CG 4.07Å; L48-Y62 HydrophobicContact CD2-CD1 3.86Å; L48-Y62 HydrophobicContact CD2-CE1 4.47Å; L48-Y62 HydrophobicContact CG-CD1 4.13Å; L48-Y62 HydrophobicContact CG-CG 4.38Å; I56-Y62 HydrophobicContact CD1-CD2 4.12Å; I56-Y62 HydrophobicContact CD1-CE2 4.11Å; I56-Y62 HydrophobicContact CD1-CG 4.32Å; I56-Y62 HydrophobicContact CG2-CD2 4.36Å; I56-Y62 HydrophobicContact CG2-CE2 3.9Å; V57-Y62 PolarHBondContact N-OH 3.31Å; V57-Y62 VanDerWaalsContact N-OH 3.09Å; N60-Y62 HydrophobicContact CB-CE1 4.19Å; N60-Y62 HydrophobicContact CB-CE2 3.6Å; N60-Y62 WeakPolarHBondContact CB-OH 3.17Å; Y62-A73 CarbonylContact O-C 3.59Å; Y62-A73 WeakPolarHBondContact O-CA 3.49Å; Y62-F74 HydrophobicContact CD2-CD2 4.03Å; Y62-F74 AromaticContact CD2-CE2 3.42Å; Y62-F74 HydrophobicContact CD2-CE2 3.42Å; Y62-F74 VanDerWaalsContact CD2-CE2 3.42Å; Y62-F74 AromaticContact CD2-CZ 3.98Å; Y62-F74 HydrophobicContact CD2-CZ 3.98Å; Y62-F74 HydrophobicContact CE2-CE2 4.38Å; Y62-F74 AromaticContact CG-CE2 3.96Å; Y62-F74 HydrophobicContact CG-CE2 3.96Å; Y62-F74 HydrophobicContact CG-CZ 4.05Å; Y62-F74 PolarHBondContact N-O 3.35Å; Y62-F74 PolarHBondContact O-N 3.41Å; Y62-V76 HydrophobicContact CD2-CG2 4.04Å; Y62-V76 HydrophobicContact CE2-CG2 3.86Å
63F98.9Very high98.5Very high0 Ų066.6 Ų66.60%037%0.366CS..EExtended strand (participates in β ladder)trans-145.1158.3165.573.7-82.8000110.9R37 L40 L41 F45 R46 E47 L48 T65 I71 I72 A73R37-F63 HydrophobicContact CB-CE2 4.1Å; R37-F63 HydrophobicContact CB-CZ 4.43Å; R37-F63 HydrophobicContact CG-CE2 3.68Å; R37-F63 HydrophobicContact CG-CZ 3.69Å; L40-F63 HydrophobicContact CB-CD1 4Å; L40-F63 HydrophobicContact CB-CE1 4.24Å; L40-F63 HydrophobicContact CB-CG 4.45Å; L40-F63 HydrophobicContact CD1-CB 3.9Å; L40-F63 HydrophobicContact CD1-CD1 4.29Å; L40-F63 HydrophobicContact CD1-CD2 4.3Å; L40-F63 HydrophobicContact CD1-CG 3.9Å; L41-F63 HydrophobicContact CD2-CE1 3.85Å; L41-F63 HydrophobicContact CD2-CZ 4.04Å; L41-F63 HydrophobicContact CG-CE1 4.03Å; L41-F63 HydrophobicContact CG-CZ 4.02Å; F45-F63 HydrophobicContact CB-CD1 3.81Å; F45-F63 HydrophobicContact CB-CE1 4.36Å; R46-F63 PolarHBondContact O-N 2.9Å; E47-F63 CarbonylContact C-O 3.51Å; E47-F63 WeakPolarHBondContact CA-O 3.49Å; E47-F63 HydrophobicContact CB-CE1 3.76Å; E47-F63 HydrophobicContact CB-CE2 3.96Å; E47-F63 HydrophobicContact CB-CZ 3.43Å; E47-F63 VanDerWaalsContact CB-CZ 3.43Å; E47-F63 HydrophobicContact CG-CD2 4.4Å; E47-F63 HydrophobicContact CG-CE1 4.4Å; E47-F63 HydrophobicContact CG-CE2 3.67Å; E47-F63 HydrophobicContact CG-CZ 3.67Å; L48-F63 PolarHBondContact N-O 3.05Å; F63-T65 HydrophobicContact CD2-CG2 4.41Å; F63-T65 HydrophobicContact CE2-CG2 4.46Å; F63-I71 HydrophobicContact CD2-CD1 3.94Å; F63-I71 HydrophobicContact CD2-CG1 4.31Å; F63-I72 CarbonylContact C-O 3.58Å; F63-I72 WeakPolarHBondContact CA-O 3.28Å; F63-I72 WeakPolarHBondContact CB-O 3.39Å; F63-A73 HydrophobicContact CB-CB 3.88Å
64L98.9Very high98.6Very high16 Ų1665.7 Ų65.78%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-136.5160.9168.869.9154.7000110.2L48 E50 W54 I71 I72 F74L48-L64 HydrophobicContact CB-CB 4.43Å; E50-L64 HydrophobicContact CB-CD1 4.42Å; E50-L64 HydrophobicContact CG-CD1 4.39Å; W54-L64 HydrophobicContact CH2-CD1 3.73Å; W54-L64 HydrophobicContact CH2-CD2 4.28Å; W54-L64 HydrophobicContact CZ2-CD1 3.99Å; L64-I71 WeakPolarHBondContact O-CA 3.03Å; L64-I72 HydrophobicContact CD2-CB 3.9Å; L64-I72 HydrophobicContact CD2-CG2 4.23Å; L64-I72 PolarHBondContact N-O 3.17Å; L64-I72 PolarHBondContact O-N 2.77Å; L64-F74 HydrophobicContact CD2-CE1 4.24Å
65T98.9Very high98.6Very high35 Ų3563.7 Ų63.722%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-124.1147173.468.50000110.6V33 F63 S70 I71V33-T65 HydrophobicContact CG1-CG2 3.54Å; F63-T65 HydrophobicContact CD2-CG2 4.41Å; F63-T65 HydrophobicContact CE2-CG2 4.46Å; T65-S70 CarbonylContact C-O 3.59Å; T65-S70 VanDerWaalsContact CA-O 3.23Å; T65-S70 WeakPolarHBondContact CA-O 3.13Å; T65-S70 WeakPolarHBondContact CB-O 3.34Å; T65-I71 HydrophobicContact CG2-CB 4.25Å; T65-I71 HydrophobicContact CG2-CD1 4.1Å; T65-I71 HydrophobicContact CG2-CG1 4.01Å
66R98.7Very high98.7Very high150 Ų15058.7 Ų58.757%0.56632%0.321SS*.EExtended strand (participates in β ladder)trans-122.1134.9170.7-17867.577.1100.46.3109.3E50 S68 S69 S70E50-R66 IonicContact OE1-CZ 3.53Å; E50-R66 IonicContact OE1-NE 3.69Å; E50-R66 IonicContact OE1-NH2 2.61Å; E50-R66 PolarHBondContact OE1-NH2 3.2Å; E50-R66 IonicContact OE2-CZ 3.13Å; E50-R66 IonicContact OE2-NE 2.63Å; E50-R66 PolarHBondContact OE2-NE 2.84Å; E50-R66 IonicContact OE2-NH2 2.99Å; E50-R66 PolarHBondContact OE2-NH2 2.84Å; R66-S68 PolarHBondContact O-N 3.02Å; R66-S69 PolarHBondContact O-N 2.84Å; R66-S69 VanDerWaalsContact O-N 3.08Å; R66-S70 PolarHBondContact N-O 3.47Å; R66-S70 PolarHBondContact O-N 2.91Å
67N98.5Very high98.7Very high84 Ų8457.9 Ų57.945%0.44933%0.328SS..THydrogen-bonded Turntrans56.211.2-176.4-171.651.9000113.9S69 R137N67-S69 PolarHBondContact ND2-OG 3.42Å; N67-S69 PolarHBondContact O-N 2.8Å; N67-R137 PolarHBondContact ND2-NH2 3.37Å; N67-R137 PolarHBondContact O-NH1 2.86Å; N67-R137 PolarHBondContact OD1-NH1 3.45Å; N67-R137 VanDerWaalsContact OD1-NH1 3.17Å; N67-R137 PolarHBondContact OD1-NH2 2.72Å
68S98.6Very high98.7Very high36 Ų3656.7 Ų56.725%0.25233%0.327SS..THydrogen-bonded Turntrans51.818.8-166.1-53.30000114.6F30 V33 R66 Q150F30-S68 WeakPolarHBondContact CA-O 3.08Å; V33-S68 WeakPolarHBondContact CB-O 3.23Å; R66-S68 PolarHBondContact O-N 3.02Å; S68-Q150 PolarHBondContact OG-NE2 3.3Å
69S98.6Very high98.7Very high23 Ų2362.3 Ų62.316%0.16135%0.349CS..THydrogen-bonded Turntrans-126.2-4.8179.968.10000112.8V33 R66 N67 T93V33-S69 VanDerWaalsContact CG2-C 3.43Å; R66-S69 PolarHBondContact O-N 2.84Å; R66-S69 VanDerWaalsContact O-N 3.08Å; N67-S69 PolarHBondContact ND2-OG 3.42Å; N67-S69 PolarHBondContact O-N 2.8Å; S69-T93 PolarHBondContact O-OG1 3.43Å
70S98.8Very high98.8Very high66 Ų6658.3 Ų58.346%0.46233%0.327SS..EExtended strand (participates in β ladder)trans-130.5144.3168.6-56.90000109.1T65 R66T65-S70 CarbonylContact C-O 3.59Å; T65-S70 VanDerWaalsContact CA-O 3.23Å; T65-S70 WeakPolarHBondContact CA-O 3.13Å; T65-S70 WeakPolarHBondContact CB-O 3.34Å; R66-S70 PolarHBondContact N-O 3.47Å; R66-S70 PolarHBondContact O-N 2.91Å
71I98.9Very high98.7Very high39 Ų3958.9 Ų58.920%0.233%0.334CS..EExtended strand (participates in β ladder)trans-134.6137179.9-172.4165.4000109.7V33 C36 R37 L40 F63 L64 T65V33-I71 HydrophobicContact CG1-CB 4.28Å; V33-I71 HydrophobicContact CG2-CB 4.29Å; V33-I71 HydrophobicContact CG2-CG2 4.31Å; C36-I71 HydrophobicContact CB-CD1 3.8Å; C36-I71 HydrophobicContact CB-CG2 4.22Å; R37-I71 HydrophobicContact CB-CD1 4.49Å; L40-I71 HydrophobicContact CD1-CD1 3.54Å; L40-I71 HydrophobicContact CD1-CG1 4.35Å; F63-I71 HydrophobicContact CD2-CD1 3.94Å; F63-I71 HydrophobicContact CD2-CG1 4.31Å; L64-I71 WeakPolarHBondContact O-CA 3.03Å; T65-I71 HydrophobicContact CG2-CB 4.25Å; T65-I71 HydrophobicContact CG2-CD1 4.1Å; T65-I71 HydrophobicContact CG2-CG1 4.01Å
72I98.9Very high98.7Very high109 Ų10961 Ų6156%0.55936%0.355SS*.EExtended strand (participates in β ladder)trans-123124.1171.6-64173.4000106.5F63 L64 F74F63-I72 CarbonylContact C-O 3.58Å; F63-I72 WeakPolarHBondContact CA-O 3.28Å; F63-I72 WeakPolarHBondContact CB-O 3.39Å; L64-I72 HydrophobicContact CD2-CB 3.9Å; L64-I72 HydrophobicContact CD2-CG2 4.23Å; L64-I72 PolarHBondContact N-O 3.17Å; L64-I72 PolarHBondContact O-N 2.77Å; I72-F74 HydrophobicContact CG2-CD1 4.39Å
73A98.9Very high98.7Very high45 Ų4564.7 Ų64.737%0.37239%0.394SS..EExtended strand (participates in β ladder)trans-120141.217400000109.5L40 F45 Y62 F63L40-A73 HydrophobicContact CD1-CB 3.75Å; L40-A73 HydrophobicContact CD2-CB 3.69Å; L40-A73 HydrophobicContact CG-CB 4.4Å; F45-A73 HydrophobicContact CD1-CB 4.45Å; F45-A73 HydrophobicContact CE1-CB 4.24Å; Y62-A73 CarbonylContact O-C 3.59Å; Y62-A73 WeakPolarHBondContact O-CA 3.49Å; F63-A73 HydrophobicContact CB-CB 3.88Å
74F98.9Very high98.7Very high62 Ų6268.2 Ų68.227%0.27241%0.413SS..EExtended strand (participates in β ladder)trans-148.2145.6-179.459.7-85.3000111.7L48 I56 Y62 L64 I72 V76L48-F74 HydrophobicContact CD1-CE1 4.21Å; L48-F74 HydrophobicContact CD1-CZ 3.77Å; I56-F74 HydrophobicContact CD1-CE2 4.18Å; I56-F74 HydrophobicContact CD1-CZ 4.04Å; I56-F74 HydrophobicContact CG2-CE2 4.16Å; Y62-F74 HydrophobicContact CD2-CD2 4.03Å; Y62-F74 AromaticContact CD2-CE2 3.42Å; Y62-F74 HydrophobicContact CD2-CE2 3.42Å; Y62-F74 VanDerWaalsContact CD2-CE2 3.42Å; Y62-F74 AromaticContact CD2-CZ 3.98Å; Y62-F74 HydrophobicContact CD2-CZ 3.98Å; Y62-F74 HydrophobicContact CE2-CE2 4.38Å; Y62-F74 AromaticContact CG-CE2 3.96Å; Y62-F74 HydrophobicContact CG-CE2 3.96Å; Y62-F74 HydrophobicContact CG-CZ 4.05Å; Y62-F74 PolarHBondContact N-O 3.35Å; Y62-F74 PolarHBondContact O-N 3.41Å; L64-F74 HydrophobicContact CD2-CE1 4.24Å; I72-F74 HydrophobicContact CG2-CD1 4.39Å; F74-V76 HydrophobicContact CD2-CG2 4.05Å; F74-V76 HydrophobicContact CE2-CG2 4.18Å
75A98.8Very high98.7Very high71 Ų7170.6 Ų70.659%0.58744%0.441SS*.EExtended strand (participates in β ladder)trans-117123.3174.200000108.6K61 G77K61-A75 HydrophobicContact CG-CB 3.87Å; A75-G77 PolarHBondContact O-N 3.04Å
76V98.8Very high98.7Very high15 Ų1576.1 Ų76.19%0.09146%0.462CS..  trans-85.6115.4-176.3-169.90000108.4I56 E59 N60 Y62 F74 Y80I56-V76 HydrophobicContact CG2-CG2 3.59Å; E59-V76 WeakPolarHBondContact CA-O 3.29Å; E59-V76 PolarHBondContact N-O 3.25Å; N60-V76 PolarHBondContact O-N 3.1Å; Y62-V76 HydrophobicContact CD2-CG2 4.04Å; Y62-V76 HydrophobicContact CE2-CG2 3.86Å; F74-V76 HydrophobicContact CD2-CG2 4.05Å; F74-V76 HydrophobicContact CE2-CG2 4.18Å; V76-Y80 HydrophobicContact CG1-CD1 3.8Å; V76-Y80 HydrophobicContact CG1-CG 3.95Å
77G98.6Very high98.7Very high44 Ų4475.3 Ų75.345%0.45448%0.48SS..  trans-60.8145.4177.600000111.7A75 Q79 Y80A75-G77 PolarHBondContact O-N 3.04Å; G77-Q79 PolarHBondContact O-N 3.01Å; G77-Q79 VanDerWaalsContact O-N 3.09Å; G77-Y80 WeakPolarHBondContact O-CB 3.24Å; G77-Y80 PolarHBondContact O-N 2.69Å
78G98.6Very high98.7Very high33 Ų3378.5 Ų78.534%0.3450%0.496SS..THydrogen-bonded Turntrans-61-21.5-17700000114.8
79Q98.5Very high98.7Very high170 Ų17083.4 Ų83.479%0.79452%0.518SS*.THydrogen-bonded Turntrans-102.711.3176.7-56.8-56.9-44.800113G77 V81 N84G77-Q79 PolarHBondContact O-N 3.01Å; G77-Q79 VanDerWaalsContact O-N 3.09Å; Q79-V81 PolarHBondContact O-N 3.14Å; Q79-N84 PolarHBondContact O-ND2 3.04Å
80Y98.7Very high98.7Very high74 Ų7485.8 Ų85.829%0.2955%0.547SS..  trans-69.1130.7177.3-179.9-93.5000110.2V76 G77 N84V76-Y80 HydrophobicContact CG1-CD1 3.8Å; V76-Y80 HydrophobicContact CG1-CG 3.95Å; G77-Y80 WeakPolarHBondContact O-CB 3.24Å; G77-Y80 PolarHBondContact O-N 2.69Å; Y80-N84 HydrophobicContact CD2-CB 3.86Å; Y80-N84 HydrophobicContact CE2-CB 3.87Å
81V98.3Very high98.7Very high82 Ų8285 Ų8550%0.49754%0.543SS..  trans-129.3152.6167.3-64.10000109.2Q79 G83 N84Q79-V81 PolarHBondContact O-N 3.14Å; V81-G83 PolarHBondContact O-N 3.44Å; V81-N84 WeakPolarHBondContact CG2-OD1 3.49Å; V81-N84 PolarHBondContact N-ND2 3.43Å; V81-N84 WeakPolarHBondContact O-CB 3.19Å; V81-N84 PolarHBondContact O-N 3.44Å
82P98.4Very high98.7Very high125 Ų12586.6 Ų86.681%0.81255%0.55SS**THydrogen-bonded Turntrans-52127.4174-27.335.7000111.5
83G98.3Very high98.7Very high80 Ų8082.6 Ų82.683%0.82553%0.531SS*.THydrogen-bonded Turntrans107.9-16.8-173.700000114.4V81V81-G83 PolarHBondContact O-N 3.44Å
84N98.6Very high98.7Very high74 Ų7482.5 Ų82.540%0.39652%0.524SS..  trans-70.5163.7172.4-71.16.9000112.3Q79 Y80 V81Q79-N84 PolarHBondContact O-ND2 3.04Å; Y80-N84 HydrophobicContact CD2-CB 3.86Å; Y80-N84 HydrophobicContact CE2-CB 3.87Å; V81-N84 WeakPolarHBondContact CG2-OD1 3.49Å; V81-N84 PolarHBondContact N-ND2 3.43Å; V81-N84 WeakPolarHBondContact O-CB 3.19Å; V81-N84 PolarHBondContact O-N 3.44Å
85G98.6Very high98.7Very high65 Ų6580.2 Ų80.267%0.6752%0.516SS*.  trans-79.7178.8178.800000115
86F98.8Very high98.7Very high151 Ų15179.3 Ų79.366%0.66250%0.504SS*.  trans-124.4139.5178.2-63.9-95000110.6L88F86-L88 HydrophobicContact CB-CD1 4.03Å; F86-L88 HydrophobicContact CB-CD2 4.14Å; F86-L88 HydrophobicContact CB-CG 3.87Å
87S98.8Very high98.7Very high133 Ų13379.2 Ų79.293%0.9350%0.504SS*.  trans-99.8111.6167.7-59.40000108.5
88L98.8Very high98.7Very high151 Ų15177.1 Ų77.179%0.79148%0.482SS*.  trans-119.2136.7-167.3-63161.9000110.8F86F86-L88 HydrophobicContact CB-CD1 4.03Å; F86-L88 HydrophobicContact CB-CD2 4.14Å; F86-L88 HydrophobicContact CB-CG 3.87Å
89I98.8Very high98.7Very high139 Ų13977.8 Ų77.871%0.71348%0.475SS*.  trans-122.7129166.3-56.6177000106.9A270I89-A270 HydrophobicContact CB-CB 4.23Å; I89-A270 HydrophobicContact CG2-CB 3.58Å
90G98.6Very high98.7Very high74 Ų7470.1 Ų70.176%0.76344%0.439SS*.  trans-113.4139.4178.400000111.6
91A98.7Very high98.7Very high48 Ų4869.1 Ų69.140%0.39744%0.436SS..  trans-145.3178.9170.500000108.9
92H98.8Very high98.7Very high74 Ų7471 Ų7134%0.34343%0.434SS..  trans-130.4144.8175.663.989.7000111.7D94 D262 N263 C267H92-D94 PolarHBondContact CE1-O 3.38Å; H92-D94 IonicContact CG-OD1 3.68Å; H92-D94 PolarHBondContact ND1-O 2.96Å; H92-D94 IonicContact ND1-OD1 3.76Å; H92-D94 PolarHBondContact ND1-OD1 2.94Å; H92-D94 VanDerWaalsContact ND1-OD1 3.07Å; H92-D262 IonicContact CE1-OD1 3.59Å; H92-D262 IonicContact NE2-OD1 3.53Å; H92-N263 PolarHBondContact CD2-ND2 2.83Å; H92-N263 VanDerWaalsContact CD2-ND2 3.3Å; H92-N263 WeakPolarHBondContact CE1-CB 3.03Å; H92-N263 WeakPolarHBondContact NE2-CB 3.18Å; H92-N263 PolarHBondContact NE2-ND2 3.19Å; H92-C267 PolarHBondContact O-SG 3.47Å
93T98.8Very high98.7Very high24 Ų2472.8 Ų72.815%0.14743%0.43CS..SBendtrans-92.4-7.2-170.554.20000113.5V32 V33 S69V32-T93 HydrophobicContact CB-CG2 4.41Å; V32-T93 HydrophobicContact CG1-CG2 3.77Å; V33-T93 HydrophobicContact CG2-CG2 4.34Å; S69-T93 PolarHBondContact O-OG1 3.43Å
94D98.8Very high98.7Very high44 Ų4469.1 Ų69.124%0.23539%0.391CS..  trans-98.4158179.870-50.4000112P29 H92 Y119P29-D94 HydrophobicContact CG-CB 4.04Å; H92-D94 PolarHBondContact CE1-O 3.38Å; H92-D94 IonicContact CG-OD1 3.68Å; H92-D94 PolarHBondContact ND1-O 2.96Å; H92-D94 IonicContact ND1-OD1 3.76Å; H92-D94 PolarHBondContact ND1-OD1 2.94Å; H92-D94 VanDerWaalsContact ND1-OD1 3.07Å; D94-Y119 HydrophobicContact CB-CE1 3.96Å; D94-Y119 VanDerWaalsContact OD2-CE1 3.28Å; D94-Y119 WeakPolarHBondContact OD2-CE1 3.45Å; D94-Y119 PolarHBondContact OD2-OH 2.89Å
95S98.8Very high98.7Very high14 Ų1471.2 Ų71.210%0.09839%0.394CS..  trans-140.1152.9172.7-560000108.3C97 R260 D262S95-C97 PolarHBondContact O-N 3.06Å; S95-R260 VanDerWaalsContact OG-CB 3.3Å; S95-R260 WeakPolarHBondContact OG-CB 3.15Å; S95-D262 PolarHBondContact OG-O 3.3Å
96P98.9Very high98.7Very high51 Ų5172 Ų7233%0.33138%0.376SS..SBendtrans-53.9129.6173.7-25.934.4000111.7Y119P96-Y119 CarbonylContact C-O 3.58Å; P96-Y119 WeakPolarHBondContact CA-O 3.34Å
97C98.9Very high98.6Very high14 Ų1468.1 Ų68.110%0.09537%0.368CS..EExtended strand (participates in β ladder)trans-154.8173-177.463.60000113.1S95 Y119 W127S95-C97 PolarHBondContact O-N 3.06Å; C97-Y119 PolarHBondContact N-O 2.96Å; C97-Y119 WeakPolarHBondContact O-CB 3.4Å; C97-Y119 PolarHBondContact O-N 3.24Å; C97-W127 VanDerWaalsContact CA-CZ2 3.45Å; C97-W127 HydrophobicContact CB-CH2 3.7Å; C97-W127 HydrophobicContact CB-CZ2 3.91Å
98L98.9Very high98.5Very high0 Ų067.7 Ų67.70%035%0.351CS..EExtended strand (participates in β ladder)trans-93.3136.9164.2-62.5175.2000109.1V116 E117 T118 W124 W127 I162 L185 L240L98-V116 HydrophobicContact CB-CB 4.25Å; L98-V116 HydrophobicContact CB-CG2 4.43Å; L98-V116 HydrophobicContact CD1-CG2 4.29Å; L98-V116 HydrophobicContact CD2-CG2 4.26Å; L98-E117 CarbonylContact C-O 3.56Å; L98-E117 WeakPolarHBondContact CA-O 3.4Å; L98-T118 HydrophobicContact CD2-CG2 3.96Å; L98-W124 HydrophobicContact CD2-CE3 4.01Å; L98-W124 HydrophobicContact CD2-CZ3 3.96Å; L98-W124 HydrophobicContact CG-CE3 4.44Å; L98-W124 HydrophobicContact CG-CZ3 4.32Å; L98-W127 HydrophobicContact CB-CE3 4.27Å; L98-W127 HydrophobicContact CB-CZ3 4.17Å; L98-W127 HydrophobicContact CD1-CB 4.32Å; L98-W127 HydrophobicContact CD1-CD2 4.02Å; L98-W127 HydrophobicContact CD1-CE3 3.7Å; L98-W127 HydrophobicContact CD1-CG 4.3Å; L98-W127 HydrophobicContact CD1-CZ3 4.41Å; L98-W127 HydrophobicContact CG-CD2 4.09Å; L98-W127 HydrophobicContact CG-CE3 3.9Å; L98-W127 HydrophobicContact CG-CZ3 4.26Å; L98-I162 HydrophobicContact CD1-CD1 3.33Å; L98-L185 HydrophobicContact CD2-CD1 4.09Å; L98-L240 HydrophobicContact CB-CB 4.2Å; L98-L240 HydrophobicContact CB-CD1 4.26Å; L98-L240 HydrophobicContact CB-CD2 4.14Å; L98-L240 HydrophobicContact CB-CG 4.43Å; L98-L240 HydrophobicContact CD1-CD2 4.42Å; L98-L240 PolarHBondContact O-N 2.86Å
99R98.9Very high98.5Very high47 Ų4766.3 Ų66.318%0.17735%0.349CS..EExtended strand (participates in β ladder)trans-118.2146.6177.3-60.1-177.873.3-179.60.5110.1K101 V116 E117 E237 L238R99-K101 PolarHBondContact O-N 3.29Å; R99-V116 CarbonylContact O-C 3.43Å; R99-V116 WeakPolarHBondContact O-CA 3.33Å; R99-V116 WeakPolarHBondContact O-CB 3.31Å; R99-E117 PolarHBondContact N-O 3.4Å; R99-E117 PolarHBondContact O-N 3.46Å; R99-E237 IonicContact CZ-OE1 3.07Å; R99-E237 IonicContact NH2-OE1 3.6Å; R99-E237 PolarHBondContact NH2-OE1 2.95Å; R99-L238 CarbonylContact C-O 3.53Å; R99-L238 VanDerWaalsContact CA-O 3.26Å; R99-L238 WeakPolarHBondContact CA-O 3.29Å
100V98.9Very high98.4Very high8 Ų861.8 Ų61.85%0.04834%0.336CS..EExtended strand (participates in β ladder)trans-67.1127.6175.11790000109.3V114 L134 M236 L238 L240V100-V114 HydrophobicContact CB-CG1 4.47Å; V100-V114 HydrophobicContact CG1-CG1 3.86Å; V100-V114 HydrophobicContact CG2-CG1 4Å; V100-L134 HydrophobicContact CG2-CD1 4.28Å; V100-L134 HydrophobicContact CG2-CD2 3.51Å; V100-M236 HydrophobicContact CG1-CE 4.45Å; V100-L238 HydrophobicContact CB-CB 4.2Å; V100-L238 HydrophobicContact CG2-CB 3.84Å; V100-L238 HydrophobicContact CG2-CD1 4.46Å; V100-L238 PolarHBondContact N-O 2.84Å; V100-L240 HydrophobicContact CG2-CD1 4.01Å
101K98.8Very high98.4Very high54 Ų5463.1 Ų63.124%0.23532%0.319CS..EExtended strand (participates in β ladder)trans-65.8150.7173.6-79.5177.7170.4171.50110.8R99 K103 G115 V116 E117 E182 H214R99-K101 PolarHBondContact O-N 3.29Å; K101-K103 PolarHBondContact O-N 3.39Å; K101-K103 VanDerWaalsContact O-N 3.13Å; K101-G115 PolarHBondContact N-O 3.22Å; K101-V116 WeakPolarHBondContact CE-O 3.2Å; K101-E117 HydrophobicContact CG-CB 4.04Å; K101-E182 IonicContact NZ-OE1 3.77Å; K101-E182 PolarHBondContact NZ-OE1 3.25Å; K101-E182 IonicContact NZ-OE2 2.69Å; K101-E182 PolarHBondContact NZ-OE2 3.36Å; K101-H214 PolarHBondContact O-CE1 2.78Å
102R97.9Very high98.4Very high120 Ų12061.5 Ų61.545%0.45330%0.303SS..EExtended strand (participates in β ladder)trans-53.7-32.7175.6-67.8-70.8-174.8-96.4-7.4114.2H214 E235 M236R102-H214 PolarHBondContact O-CE1 3.44Å; R102-H214 PolarHBondContact O-NE2 2.66Å; R102-E235 VanDerWaalsContact CD-OE1 3.22Å; R102-E235 WeakPolarHBondContact CD-OE1 3.27Å; R102-E235 VanDerWaalsContact CD-OE2 3.3Å; R102-E235 WeakPolarHBondContact CD-OE2 3.19Å; R102-E235 IonicContact NE-OE1 3.16Å; R102-E235 IonicContact NE-OE2 2.82Å; R102-M236 PolarHBondContact NH1-O 2.79Å
103K98.1Very high98.4Very high164 Ų16459.8 Ų59.871%0.71330%0.295SS*.EExtended strand (participates in β ladder)trans-122.299.8167.1-63.6-170.3177.3-176.30107K101 R213K101-K103 PolarHBondContact O-N 3.39Å; K101-K103 VanDerWaalsContact O-N 3.13Å; K103-R213 CarbonylContact C-O 3.55Å; K103-R213 WeakPolarHBondContact CA-O 3.48Å; K103-R213 HydrophobicContact CG-CB 4.31Å; K103-R213 HydrophobicContact CG-CG 4.07Å
104S98.5Very high98.4Very high2 Ų258.7 Ų58.71%0.01429%0.288CS..EExtended strand (participates in β ladder)trans-103.9-8.3-171.979.90000113.4R106 V114 G115 R213 H214S104-R106 PolarHBondContact O-N 3.46Å; S104-R106 VanDerWaalsContact O-N 3.1Å; S104-V114 CarbonylContact O-C 3.56Å; S104-V114 WeakPolarHBondContact O-CA 3.31Å; S104-G115 WeakPolarHBondContact CB-O 3.44Å; S104-G115 PolarHBondContact O-N 2.9Å; S104-R213 PolarHBondContact N-O 3.33Å; S104-H214 PolarHBondContact OG-ND1 2.98Å
105R98.4Very high98.4Very high119 Ų11956.6 Ų56.645%0.44928%0.277SS..EExtended strand (participates in β ladder)trans-59.6116.5-178.5-168.5176.6-175.9-169.3-0.4110.7E212 R213R105-E212 VanDerWaalsContact CD-O 3.28Å; R105-E212 WeakPolarHBondContact CD-O 3.41Å; R105-E212 IonicContact NH1-OE1 3.7Å; R105-R213 PolarHBondContact N-O 2.86Å
106R98.2Very high98.4Very high81 Ų8156.2 Ų56.231%0.30627%0.274SS..EExtended strand (participates in β ladder)trans-137.7140.5170.9-75.9-167.1169.9177.1-0.3110.2S104 Q113 E182 H215S104-R106 PolarHBondContact O-N 3.46Å; S104-R106 VanDerWaalsContact O-N 3.1Å; R106-Q113 HydrophobicContact CB-CB 3.89Å; R106-Q113 PolarHBondContact N-O 3.38Å; R106-Q113 WeakPolarHBondContact O-CB 3.41Å; R106-Q113 PolarHBondContact O-N 3.5Å; R106-E182 IonicContact CZ-OE1 3.72Å; R106-E182 PolarHBondContact NH1-O 3.08Å; R106-E182 IonicContact NH1-OE1 2.68Å; R106-E182 PolarHBondContact NH1-OE1 2.77Å; R106-E182 IonicContact NH2-OE1 3.78Å; R106-E182 PolarHBondContact NH2-OE1 2.83Å; R106-H215 PolarHBondContact O-NE2 2.92Å
107S97.8Very high98.4Very high70 Ų7058.8 Ų58.849%0.4928%0.282SS..EExtended strand (participates in β ladder)trans-133.3135.9175.9-63.80000109.7Y111 H215S107-Y111 VanDerWaalsContact CA-O 3.32Å; S107-Y111 WeakPolarHBondContact CA-O 3.42Å; S107-H215 PolarHBondContact OG-CE1 2.77Å; S107-H215 PolarHBondContact OG-NE2 3.18Å
108Q97.3Very high98.4Very high124 Ų12460.8 Ų60.858%0.57929%0.294SS*.EExtended strand (participates in β ladder)trans-150.4129.8176-169.168.227.300109G110 Y111Q108-G110 VanDerWaalsContact C-N 3.25Å; Q108-G110 PolarHBondContact O-N 3.01Å; Q108-G110 VanDerWaalsContact O-N 3.09Å; Q108-Y111 PolarHBondContact N-O 3.43Å; Q108-Y111 WeakPolarHBondContact O-CB 3.49Å; Q108-Y111 PolarHBondContact O-N 2.78Å
109V97.8Very high98.4Very high122 Ų12264.6 Ų64.674%0.73931%0.309SS*.THydrogen-bonded Turntrans4642.7173.8-610000114.8Y111V109-Y111 VanDerWaalsContact C-N 3.34Å; V109-Y111 HydrophobicContact CG2-CD2 4.03Å; V109-Y111 HydrophobicContact CG2-CE2 4.45Å; V109-Y111 PolarHBondContact O-N 3.19Å
110G97.3Very high98.4Very high43 Ų4364.9 Ų64.944%0.44333%0.326SS..THydrogen-bonded Turntrans84.4-2.117900000115.4Q108 T191 A192Q108-G110 VanDerWaalsContact C-N 3.25Å; Q108-G110 PolarHBondContact O-N 3.01Å; Q108-G110 VanDerWaalsContact O-N 3.09Å; G110-T191 CarbonylContact O-C 3.59Å; G110-T191 WeakPolarHBondContact O-CA 3.39Å; G110-A192 PolarHBondContact O-N 3.38Å
111Y98.7Very high98.4Very high102 Ų10268 Ų6840%0.436%0.361SS..EExtended strand (participates in β ladder)trans-90.6140.1172-69-68.1000112.4S107 Q108 V109 I188 T191S107-Y111 VanDerWaalsContact CA-O 3.32Å; S107-Y111 WeakPolarHBondContact CA-O 3.42Å; Q108-Y111 PolarHBondContact N-O 3.43Å; Q108-Y111 WeakPolarHBondContact O-CB 3.49Å; Q108-Y111 PolarHBondContact O-N 2.78Å; V109-Y111 VanDerWaalsContact C-N 3.34Å; V109-Y111 HydrophobicContact CG2-CD2 4.03Å; V109-Y111 HydrophobicContact CG2-CE2 4.45Å; V109-Y111 PolarHBondContact O-N 3.19Å; Y111-I188 HydrophobicContact CD1-CD1 4.07Å; Y111-I188 HydrophobicContact CD1-CG1 4.45Å; Y111-I188 HydrophobicContact CD1-CG2 3.43Å; Y111-I188 VanDerWaalsContact CD1-CG2 3.43Å; Y111-I188 HydrophobicContact CD2-CD1 4.26Å; Y111-I188 HydrophobicContact CE1-CD1 4.21Å; Y111-I188 HydrophobicContact CE1-CG2 4.07Å; Y111-I188 HydrophobicContact CE2-CD1 4.4Å; Y111-I188 HydrophobicContact CG-CD1 4.1Å; Y111-I188 HydrophobicContact CG-CG1 4.39Å; Y111-I188 HydrophobicContact CG-CG2 4.06Å; Y111-T191 HydrophobicContact CD1-CG2 3.84Å; Y111-T191 HydrophobicContact CE1-CG2 3.79Å
112H98.4Very high98.3Very high15 Ų1566.2 Ų66.27%0.06936%0.357CS..EExtended strand (participates in β ladder)trans-92.2121.3162.9-62.5-29.4000109.2L189 A190 A192 E195 H215H112-L189 PolarHBondContact O-N 2.91Å; H112-A190 HydrophobicContact CB-CB 4.25Å; H112-A190 PolarHBondContact N-O 3.41Å; H112-A190 PolarHBondContact O-N 3.03Å; H112-A192 WeakPolarHBondContact NE2-CA 3.13Å; H112-A192 PolarHBondContact NE2-N 3.08Å; H112-E195 IonicContact CD2-OE2 3.18Å; H112-E195 IonicContact CE1-OE2 3.84Å; H112-E195 IonicContact NE2-OE2 2.89Å; H112-E195 PolarHBondContact NE2-OE2 3.49Å; H112-H215 AromaticContact CG-CE1 3.96Å; H112-H215 AromaticContact CG-NE2 3.99Å; H112-H215 AromaticContact ND1-CE1 3.47Å; H112-H215 PolarHBondContact ND1-CE1 2.87Å; H112-H215 AromaticContact ND1-ND1 3.99Å; H112-H215 AromaticContact ND1-NE2 3.75Å
113Q98.8Very high98.4Very high37 Ų3766.2 Ų66.217%0.17337%0.365CS..EExtended strand (participates in β ladder)trans-119.2158.5-174.3-66.9-177.9-64.800111.1R106 V186 P187 I188 H215R106-Q113 HydrophobicContact CB-CB 3.89Å; R106-Q113 PolarHBondContact N-O 3.38Å; R106-Q113 WeakPolarHBondContact O-CB 3.41Å; R106-Q113 PolarHBondContact O-N 3.5Å; Q113-V186 HydrophobicContact CB-CG1 3.77Å; Q113-V186 HydrophobicContact CG-CG1 4.38Å; Q113-P187 VanDerWaalsContact CA-O 3.23Å; Q113-P187 WeakPolarHBondContact CA-O 3.48Å; Q113-P187 WeakPolarHBondContact CB-O 3.43Å; Q113-I188 HydrophobicContact CG-CG1 4.27Å; Q113-H215 PolarHBondContact O-CD2 3.17Å; Q113-H215 VanDerWaalsContact O-CD2 3.31Å
114V98.9Very high98.4Very high1 Ų160.2 Ų60.21%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-116.1109.7177.3-179.30000108.5V100 S104 V116 L160 P187 L189 L218V100-V114 HydrophobicContact CB-CG1 4.47Å; V100-V114 HydrophobicContact CG1-CG1 3.86Å; V100-V114 HydrophobicContact CG2-CG1 4Å; S104-V114 CarbonylContact O-C 3.56Å; S104-V114 WeakPolarHBondContact O-CA 3.31Å; V114-V116 PolarHBondContact O-N 2.99Å; V114-L160 HydrophobicContact CB-CD2 4.33Å; V114-L160 HydrophobicContact CG2-CD2 3.92Å; V114-P187 HydrophobicContact CB-CG 4.11Å; V114-P187 PolarHBondContact N-O 3.47Å; V114-P187 WeakPolarHBondContact O-CD 3.48Å; V114-P187 WeakPolarHBondContact O-CG 3.47Å; V114-L189 HydrophobicContact CG2-CB 4.07Å; V114-L189 HydrophobicContact CG2-CD2 3.88Å; V114-L218 HydrophobicContact CG1-CD2 4.41Å; V114-L218 HydrophobicContact CG2-CD2 4.34Å
115G98.8Very high98.4Very high0 Ų062.5 Ų62.50%035%0.354CS..EExtended strand (participates in β ladder)trans-59.5128.2171.400000111K101 S104K101-G115 PolarHBondContact N-O 3.22Å; S104-G115 WeakPolarHBondContact CB-O 3.44Å; S104-G115 PolarHBondContact O-N 2.9Å
116V98.9Very high98.5Very high7 Ų760.6 Ų60.64%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-120.6159.6-177.8-65.70000112L98 R99 K101 V114 L185 P187 L240L98-V116 HydrophobicContact CB-CB 4.25Å; L98-V116 HydrophobicContact CB-CG2 4.43Å; L98-V116 HydrophobicContact CD1-CG2 4.29Å; L98-V116 HydrophobicContact CD2-CG2 4.26Å; R99-V116 CarbonylContact O-C 3.43Å; R99-V116 WeakPolarHBondContact O-CA 3.33Å; R99-V116 WeakPolarHBondContact O-CB 3.31Å; K101-V116 WeakPolarHBondContact CE-O 3.2Å; V114-V116 PolarHBondContact O-N 2.99Å; V116-L185 HydrophobicContact CG2-CB 4.41Å; V116-L185 WeakPolarHBondContact CG2-O 3.21Å; V116-P187 HydrophobicContact CG1-CG 3.94Å; V116-L240 HydrophobicContact CG1-CD1 3.68Å; V116-L240 HydrophobicContact CG1-CD2 4.05Å
117E98.9Very high98.5Very high105 Ų10558.5 Ų58.549%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-116.4138.2175.3174.5-179.1-135.300109.3L98 R99 K101L98-E117 CarbonylContact C-O 3.56Å; L98-E117 WeakPolarHBondContact CA-O 3.4Å; R99-E117 PolarHBondContact N-O 3.4Å; R99-E117 PolarHBondContact O-N 3.46Å; K101-E117 HydrophobicContact CG-CB 4.04Å
118T98.9Very high98.5Very high55 Ų5555.9 Ų55.934%0.33733%0.327SS..EExtended strand (participates in β ladder)trans-76.1124.8171.350.80000110.9L98 W124 T181 L185L98-T118 HydrophobicContact CD2-CG2 3.96Å; T118-W124 HydrophobicContact CG2-CD2 4.08Å; T118-W124 HydrophobicContact CG2-CH2 4.16Å; T118-W124 HydrophobicContact CG2-CZ2 3.66Å; T118-T181 HydrophobicContact CG2-CG2 4.24Å; T118-L185 HydrophobicContact CG2-CD1 3.95Å
119Y98.8Very high98.6Very high80 Ų8053.2 Ų53.231%0.31432%0.317SS..EExtended strand (participates in β ladder)trans-113.7123.7173.4176.2-89.8000110D94 P96 C97D94-Y119 HydrophobicContact CB-CE1 3.96Å; D94-Y119 VanDerWaalsContact OD2-CE1 3.28Å; D94-Y119 WeakPolarHBondContact OD2-CE1 3.45Å; D94-Y119 PolarHBondContact OD2-OH 2.89Å; P96-Y119 CarbonylContact C-O 3.58Å; P96-Y119 WeakPolarHBondContact CA-O 3.34Å; C97-Y119 PolarHBondContact N-O 2.96Å; C97-Y119 WeakPolarHBondContact O-CB 3.4Å; C97-Y119 PolarHBondContact O-N 3.24Å
120G98.4Very high98.7Very high53 Ų5351.9 Ų51.955%0.54630%0.298SS..SBendtrans74-172.7-177.200000114.2G122 W124G120-G122 PolarHBondContact O-N 3.31Å; G120-W124 WeakPolarHBondContact O-CZ2 3.17Å
121G98.3Very high98.7Very high75 Ų7553.5 Ų53.577%0.77330%0.297SS*.SBendtrans-92.255.8-178.400000113.5
122G98.3Very high98.8Very high15 Ų1548.7 Ų48.716%0.15528%0.278CS..  trans-69148.9-176.800000113.4G120 W124G120-G122 PolarHBondContact O-N 3.31Å; G122-W124 VanDerWaalsContact N-CZ2 3.33Å; G122-W124 PolarHBondContact O-N 3.16Å; G122-W124 VanDerWaalsContact O-N 3.12Å; G122-W124 PolarHBondContact O-NE1 2.94Å
123I98.8Very high98.8Very high121 Ų12148 Ų4862%0.62128%0.275SS*.  trans-81.986.3168.7-53.4176.6000107.5S125 T126I123-S125 PolarHBondContact O-N 2.88Å; I123-S125 VanDerWaalsContact O-N 3.08Å; I123-T126 HydrophobicContact CB-CG2 4.26Å; I123-T126 HydrophobicContact CG2-CG2 3.98Å; I123-T126 PolarHBondContact O-N 3.39Å; I123-T126 PolarHBondContact O-OG1 2.84Å
124W98.8Very high98.8Very high38 Ų3846.3 Ų46.314%0.14427%0.267CS..G310 helixtrans-63.6-20-167.3-52.5124.9000115L98 T118 G120 G122 T126 W127 F128 L185L98-W124 HydrophobicContact CD2-CE3 4.01Å; L98-W124 HydrophobicContact CD2-CZ3 3.96Å; L98-W124 HydrophobicContact CG-CE3 4.44Å; L98-W124 HydrophobicContact CG-CZ3 4.32Å; T118-W124 HydrophobicContact CG2-CD2 4.08Å; T118-W124 HydrophobicContact CG2-CH2 4.16Å; T118-W124 HydrophobicContact CG2-CZ2 3.66Å; G120-W124 WeakPolarHBondContact O-CZ2 3.17Å; G122-W124 VanDerWaalsContact N-CZ2 3.33Å; G122-W124 PolarHBondContact O-N 3.16Å; G122-W124 VanDerWaalsContact O-N 3.12Å; G122-W124 PolarHBondContact O-NE1 2.94Å; W124-T126 PolarHBondContact O-N 3.45Å; W124-W127 AromaticContact CE3-CD1 3.94Å; W124-W127 HydrophobicContact CE3-CG 4.49Å; W124-W127 AromaticContact CE3-NE1 3.96Å; W124-W127 WeakPolarHBondContact O-CB 3.06Å; W124-W127 PolarHBondContact O-N 2.87Å; W124-F128 WeakPolarHBondContact O-CD2 3.38Å; W124-L185 HydrophobicContact CB-CD1 3.87Å; W124-L185 HydrophobicContact CB-CD2 4Å; W124-L185 HydrophobicContact CD2-CD1 4.27Å; W124-L185 HydrophobicContact CG-CD1 3.88Å
125S98.8Very high98.8Very high50 Ų5046.3 Ų46.335%0.3527%0.267SS..G310 helixtrans-62.4-30173.8580000113I123 W127 F128I123-S125 PolarHBondContact O-N 2.88Å; I123-S125 VanDerWaalsContact O-N 3.08Å; S125-W127 PolarHBondContact O-N 2.97Å; S125-F128 PolarHBondContact O-N 3.31Å
126T98.8Very high98.8Very high79 Ų7946.3 Ų46.349%0.48527%0.267SS..G310 helixtrans-75.2-12.3-179.168.10000113.7I123 W124 R130I123-T126 HydrophobicContact CB-CG2 4.26Å; I123-T126 HydrophobicContact CG2-CG2 3.98Å; I123-T126 PolarHBondContact O-N 3.39Å; I123-T126 PolarHBondContact O-OG1 2.84Å; W124-T126 PolarHBondContact O-N 3.45Å; T126-R130 VanDerWaalsContact O-CG 3.28Å; T126-R130 WeakPolarHBondContact O-CG 3.26Å
127W98.9Very high98.8Very high36 Ų3646.9 Ų46.914%0.13627%0.269CS..G310 helixtrans-84.2-15.9176.2-71.172.4000112.8C97 L98 W124 S125 L132 I162 L240C97-W127 VanDerWaalsContact CA-CZ2 3.45Å; C97-W127 HydrophobicContact CB-CH2 3.7Å; C97-W127 HydrophobicContact CB-CZ2 3.91Å; L98-W127 HydrophobicContact CB-CE3 4.27Å; L98-W127 HydrophobicContact CB-CZ3 4.17Å; L98-W127 HydrophobicContact CD1-CB 4.32Å; L98-W127 HydrophobicContact CD1-CD2 4.02Å; L98-W127 HydrophobicContact CD1-CE3 3.7Å; L98-W127 HydrophobicContact CD1-CG 4.3Å; L98-W127 HydrophobicContact CD1-CZ3 4.41Å; L98-W127 HydrophobicContact CG-CD2 4.09Å; L98-W127 HydrophobicContact CG-CE3 3.9Å; L98-W127 HydrophobicContact CG-CZ3 4.26Å; W124-W127 AromaticContact CE3-CD1 3.94Å; W124-W127 HydrophobicContact CE3-CG 4.49Å; W124-W127 AromaticContact CE3-NE1 3.96Å; W124-W127 WeakPolarHBondContact O-CB 3.06Å; W124-W127 PolarHBondContact O-N 2.87Å; S125-W127 PolarHBondContact O-N 2.97Å; W127-L132 HydrophobicContact CE3-CD1 4.29Å; W127-L132 HydrophobicContact CE3-CD2 4.12Å; W127-L132 HydrophobicContact CZ3-CD2 4.26Å; W127-I162 HydrophobicContact CB-CD1 4.4Å; W127-L240 WeakPolarHBondContact CH2-O 2.98Å; W127-L240 HydrophobicContact CZ3-CB 3.72Å
128F98.9Very high98.7Very high16 Ų1641.9 Ų41.97%0.0725%0.245CC..THydrogen-bonded Turntrans-70.3146172.6-73.5-102000110.3W124 S125 R130 I162 H164 F177 P179 H184 L185W124-F128 WeakPolarHBondContact O-CD2 3.38Å; S125-F128 PolarHBondContact O-N 3.31Å; F128-R130 PolarHBondContact O-N 3.38Å; F128-R130 VanDerWaalsContact O-N 3.1Å; F128-I162 CarbonylContact C-O 3.41Å; F128-I162 VanDerWaalsContact CA-O 3.31Å; F128-I162 WeakPolarHBondContact CA-O 3.42Å; F128-I162 HydrophobicContact CD1-CG2 3.73Å; F128-I162 HydrophobicContact CD2-CG2 4.5Å; F128-I162 HydrophobicContact CE1-CG2 3.71Å; F128-I162 HydrophobicContact CG-CG2 4.14Å; F128-I162 HydrophobicContact CZ-CG2 4.12Å; F128-H164 WeakPolarHBondContact CB-CD2 3.21Å; F128-H164 WeakPolarHBondContact CB-NE2 3.25Å; F128-H164 AromaticContact CD1-CG 3.98Å; F128-H164 AromaticContact CG-CD2 3.97Å; F128-H164 AromaticContact CG-NE2 3.79Å; F128-F177 HydrophobicContact CD1-CZ 4.36Å; F128-F177 HydrophobicContact CD2-CE1 4.08Å; F128-F177 HydrophobicContact CD2-CZ 4.01Å; F128-F177 HydrophobicContact CE1-CZ 4.11Å; F128-F177 HydrophobicContact CE2-CE1 4.04Å; F128-F177 AromaticContact CE2-CZ 3.72Å; F128-F177 HydrophobicContact CE2-CZ 3.72Å; F128-F177 HydrophobicContact CG-CZ 4.32Å; F128-F177 AromaticContact CZ-CZ 3.79Å; F128-F177 HydrophobicContact CZ-CZ 3.79Å; F128-P179 HydrophobicContact CE2-CB 3.83Å; F128-P179 HydrophobicContact CE2-CG 3.87Å; F128-P179 HydrophobicContact CZ-CB 3.68Å; F128-P179 HydrophobicContact CZ-CG 4.25Å; F128-H184 WeakPolarHBondContact CE1-O 3.42Å; F128-H184 HydrophobicContact CZ-CB 4.23Å; F128-H184 WeakPolarHBondContact CZ-O 3.44Å; F128-L185 HydrophobicContact CD2-CD2 4.24Å; F128-L185 HydrophobicContact CE2-CD2 3.32Å; F128-L185 HydrophobicContact CZ-CD2 3.67Å
129D98.8Very high98.7Very high67 Ų6741.6 Ų41.636%0.35824%0.241SC..THydrogen-bonded Turntrans56.723.8176.8-70.1-40.2000116.6R161 I162 P163 H164D129-R161 IonicContact OD1-CZ 2.84Å; D129-R161 IonicContact OD1-NE 3.67Å; D129-R161 PolarHBondContact OD1-NE 2.87Å; D129-R161 IonicContact OD1-NH2 2.92Å; D129-R161 PolarHBondContact OD1-NH2 2.87Å; D129-I162 PolarHBondContact N-O 3.28Å; D129-P163 WeakPolarHBondContact OD1-CA 3.38Å; D129-H164 WeakPolarHBondContact OD2-CB 3.45Å; D129-H164 IonicContact OD2-CD2 3.23Å; D129-H164 PolarHBondContact OD2-CD2 3.1Å; D129-H164 VanDerWaalsContact OD2-CD2 3.23Å; D129-H164 IonicContact OD2-CG 3.96Å; D129-H164 PolarHBondContact OD2-N 3.03Å
130R98.9Very high98.6Very high94 Ų9438 Ų3836%0.35523%0.227SC..  trans-93.4148.5170.7-66.1-63.8-174.9157.1-15.9112.1T126 F128 L132 R161 D242T126-R130 VanDerWaalsContact O-CG 3.28Å; T126-R130 WeakPolarHBondContact O-CG 3.26Å; F128-R130 PolarHBondContact O-N 3.38Å; F128-R130 VanDerWaalsContact O-N 3.1Å; R130-L132 HydrophobicContact CB-CD2 3.71Å; R130-L132 HydrophobicContact CB-CG 3.97Å; R130-L132 PolarHBondContact O-N 3.12Å; R130-R161 WeakPolarHBondContact O-CD 3.37Å; R130-D242 IonicContact CZ-OD2 3.45Å; R130-D242 IonicContact NE-OD2 3.47Å; R130-D242 IonicContact NH1-OD2 2.64Å; R130-D242 PolarHBondContact NH1-OD2 3.06Å
131D98.9Very high98.5Very high78 Ų7840.7 Ų40.742%0.41722%0.224SC..  trans-83.897.6171.6-75.6-0000107.9P158 R161 T243D131-P158 HydrophobicContact CB-CB 3.82Å; D131-R161 IonicContact OD1-NH1 2.72Å; D131-R161 PolarHBondContact OD1-NH1 3.18Å; D131-T243 WeakPolarHBondContact CB-OG1 3.4Å; D131-T243 WeakPolarHBondContact O-CB 3.48Å; D131-T243 PolarHBondContact O-N 3.08Å; D131-T243 PolarHBondContact O-OG1 2.92Å
132L98.9Very high98.1Very high1 Ų137.9 Ų37.91%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-101.8153.9-169-59.8172.1000111.8W127 R130 I159 L160 I162 L240 A241W127-L132 HydrophobicContact CE3-CD1 4.29Å; W127-L132 HydrophobicContact CE3-CD2 4.12Å; W127-L132 HydrophobicContact CZ3-CD2 4.26Å; R130-L132 HydrophobicContact CB-CD2 3.71Å; R130-L132 HydrophobicContact CB-CG 3.97Å; R130-L132 PolarHBondContact O-N 3.12Å; L132-I159 PolarHBondContact O-N 2.78Å; L132-L160 WeakPolarHBondContact CA-O 3.46Å; L132-L160 HydrophobicContact CB-CB 3.91Å; L132-L160 WeakPolarHBondContact CB-O 3.3Å; L132-L160 PolarHBondContact N-O 3.27Å; L132-L160 PolarHBondContact O-N 3.12Å; L132-I162 HydrophobicContact CD1-CD1 4.01Å; L132-I162 HydrophobicContact CD1-CG1 4.07Å; L132-L240 HydrophobicContact CD1-CD2 4.13Å; L132-A241 CarbonylContact C-O 3.55Å; L132-A241 WeakPolarHBondContact CA-O 3.38Å
133T98.9Very high97.5Very high0 Ų041.7 Ų41.70%021%0.214CC..EExtended strand (participates in β ladder)trans-136-177.3171.8-165.70000111.9I155 R157 L240 A241 T243T133-I155 WeakPolarHBondContact CB-O 2.98Å; T133-I155 PolarHBondContact OG1-O 2.95Å; T133-R157 WeakPolarHBondContact CB-O 3.24Å; T133-R157 PolarHBondContact OG1-O 2.72Å; T133-L240 CarbonylContact O-C 3.5Å; T133-L240 WeakPolarHBondContact O-CA 3.35Å; T133-A241 HydrophobicContact CG2-CB 4.46Å; T133-A241 PolarHBondContact N-O 3.34Å; T133-A241 PolarHBondContact O-N 3.02Å; T133-T243 HydrophobicContact CG2-CG2 3.58Å
134L98.9Very high97.1Very high2 Ų242.4 Ų42.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-114.8135.7176.1-65.2175.4000111.6V100 I155 I159 L160 L218 L238 C239 L240V100-L134 HydrophobicContact CG2-CD1 4.28Å; V100-L134 HydrophobicContact CG2-CD2 3.51Å; L134-I155 PolarHBondContact O-N 3.03Å; L134-I159 HydrophobicContact CB-CD1 4.43Å; L134-I159 HydrophobicContact CD1-CD1 4.27Å; L134-I159 HydrophobicContact CG-CD1 4.18Å; L134-L160 HydrophobicContact CD1-CD1 4.15Å; L134-L160 HydrophobicContact CD2-CD1 3.64Å; L134-L160 HydrophobicContact CG-CD1 3.67Å; L134-L218 HydrophobicContact CD1-CD1 3.47Å; L134-L218 VanDerWaalsContact CD1-CD1 3.47Å; L134-L238 HydrophobicContact CD1-CD1 4.08Å; L134-L238 HydrophobicContact CD2-CB 4.3Å; L134-C239 WeakPolarHBondContact CA-O 3.15Å; L134-L240 HydrophobicContact CD2-CD1 3.59Å; L134-L240 HydrophobicContact CD2-CG 3.84Å
135A98.9Very high96.8Very high0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-141.8142168.200000111.7P27 V153 H154 C239P27-A135 HydrophobicContact CB-CB 3.56Å; P27-A135 HydrophobicContact CG-CB 3.31Å; A135-V153 CarbonylContact C-O 3.53Å; A135-V153 VanDerWaalsContact CA-O 3.24Å; A135-V153 WeakPolarHBondContact CA-O 3.41Å; A135-H154 HydrophobicContact CB-CB 4.17Å; A135-C239 PolarHBondContact N-O 2.8Å; A135-C239 PolarHBondContact O-N 2.89Å
136G98.8Very high96.5Very high0 Ų043.1 Ų43.10%024%0.242CC..EExtended strand (participates in β ladder)trans171.9-148.8-175.800000113.9H31 L152 V153 E237H31-G136 PolarHBondContact CE1-O 3.11Å; G136-L152 WeakPolarHBondContact O-CA 3.23Å; G136-V153 PolarHBondContact N-O 3.28Å; G136-V153 PolarHBondContact O-N 3.39Å; G136-E237 CarbonylContact C-O 3.23Å; G136-E237 VanDerWaalsContact CA-O 3.23Å; G136-E237 WeakPolarHBondContact CA-O 3.28Å
137R98.7Very high96.4Very high19 Ų1948.1 Ų48.17%0.07225%0.252CS..EExtended strand (participates in β ladder)trans-126.7153174.568.2172.9177-166.1-4.5111.8F30 N67 Q150 R151 L152 M236 E237F30-R137 HydrophobicContact CD1-CG 4.39Å; F30-R137 HydrophobicContact CD2-CB 4.22Å; F30-R137 HydrophobicContact CD2-CG 4.05Å; F30-R137 HydrophobicContact CE1-CG 4.17Å; F30-R137 HydrophobicContact CE2-CB 4.46Å; F30-R137 HydrophobicContact CE2-CG 3.79Å; F30-R137 HydrophobicContact CG-CB 4.36Å; F30-R137 HydrophobicContact CG-CG 4.34Å; F30-R137 HydrophobicContact CZ-CG 3.86Å; N67-R137 PolarHBondContact ND2-NH2 3.37Å; N67-R137 PolarHBondContact O-NH1 2.86Å; N67-R137 PolarHBondContact OD1-NH1 3.45Å; N67-R137 VanDerWaalsContact OD1-NH1 3.17Å; N67-R137 PolarHBondContact OD1-NH2 2.72Å; R137-Q150 HydrophobicContact CB-CG 3.92Å; R137-R151 CarbonylContact C-O 3.53Å; R137-R151 VanDerWaalsContact CA-O 3.28Å; R137-R151 WeakPolarHBondContact CA-O 3.22Å; R137-L152 HydrophobicContact CB-CD2 4.23Å; R137-M236 WeakPolarHBondContact O-CA 3.48Å; R137-E237 HydrophobicContact CG-CB 4.03Å; R137-E237 IonicContact CZ-OE2 2.99Å; R137-E237 PolarHBondContact N-O 2.93Å; R137-E237 IonicContact NE-OE2 3.42Å; R137-E237 PolarHBondContact NE-OE2 2.83Å; R137-E237 IonicContact NH2-OE2 3.82Å; R137-E237 PolarHBondContact NH2-OE2 2.68Å; R137-E237 PolarHBondContact O-N 2.92Å
138V98.2Very high96.3Very high0 Ų052.1 Ų52.10%028%0.275CS..EExtended strand (participates in β ladder)trans-117.7143.8162.4-60.20000109.2I140 Q150 R151 V153 L226 M236V138-I140 HydrophobicContact CB-CG2 4.29Å; V138-I140 HydrophobicContact CG2-CG2 3.65Å; V138-Q150 WeakPolarHBondContact O-CA 3.38Å; V138-R151 HydrophobicContact CG2-CB 3.88Å; V138-R151 PolarHBondContact N-O 3.45Å; V138-R151 PolarHBondContact O-N 2.93Å; V138-V153 HydrophobicContact CG1-CG1 4.33Å; V138-L226 HydrophobicContact CB-CD1 4.43Å; V138-L226 HydrophobicContact CG1-CD1 4.18Å; V138-L226 HydrophobicContact CG2-CD1 3.43Å; V138-L226 VanDerWaalsContact CG2-CD1 3.43Å; V138-M236 HydrophobicContact CG1-CB 3.94Å
139I98.3Very high96.2Very high49 Ų4954.1 Ų54.125%0.25129%0.285SS..EExtended strand (participates in β ladder)trans-97.5120.2166.5-55.2-55.9000106.9E149 Q150 M234 E235I139-E149 WeakPolarHBondContact CA-O 3.19Å; I139-Q150 HydrophobicContact CD1-CB 4.21Å; I139-Q150 HydrophobicContact CD1-CG 4.25Å; I139-M234 WeakPolarHBondContact O-CB 3.3Å; I139-M234 PolarHBondContact O-N 3.01Å; I139-E235 PolarHBondContact N-O 2.92Å; I139-E235 PolarHBondContact O-N 2.88Å
140I96.7Very high96.2Very high4 Ų453.6 Ų53.62%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-115.5148.3-17662.7165.7000110.2V138 L148 E149 R151 L228 S232 I233V138-I140 HydrophobicContact CB-CG2 4.29Å; V138-I140 HydrophobicContact CG2-CG2 3.65Å; I140-L148 CarbonylContact O-C 3.53Å; I140-L148 VanDerWaalsContact O-CA 3.32Å; I140-L148 WeakPolarHBondContact O-CA 3.24Å; I140-E149 HydrophobicContact CD1-CB 4.4Å; I140-E149 HydrophobicContact CG1-CB 3.99Å; I140-E149 WeakPolarHBondContact CG1-O 3.36Å; I140-E149 PolarHBondContact N-O 3.27Å; I140-E149 PolarHBondContact O-N 3.41Å; I140-R151 HydrophobicContact CD1-CG 3.78Å; I140-R151 HydrophobicContact CG1-CG 4.39Å; I140-L228 HydrophobicContact CB-CD1 4.3Å; I140-L228 HydrophobicContact CD1-CD1 3.85Å; I140-L228 HydrophobicContact CG2-CD1 3.63Å; I140-S232 CarbonylContact C-O 3.58Å; I140-S232 WeakPolarHBondContact CA-O 3.12Å; I140-S232 WeakPolarHBondContact CB-O 3.36Å; I140-I233 HydrophobicContact CG2-CG1 4.45Å
141K95.8Very high96.1Very high110 Ų11054.3 Ų54.348%0.47828%0.283SS..EExtended strand (participates in β ladder)trans-93.1109.8163.3-170.8176.9-177.9-178.60107.6P143 L148 S232 M234K141-P143 WeakPolarHBondContact O-CD 3.46Å; K141-L148 HydrophobicContact CB-CD2 4.19Å; K141-L148 HydrophobicContact CG-CD2 4.48Å; K141-S232 PolarHBondContact N-O 2.99Å; K141-M234 HydrophobicContact CB-CG 4.07Å; K141-M234 HydrophobicContact CB-SD 3.89Å
142C91.1Very high96.1Very high16 Ų1653.5 Ų53.511%0.10828%0.278CS..  trans-58119.7-178-177.10000109.9T144 S145 G146 R147C142-T144 PolarHBondContact O-N 2.91Å; C142-T144 PolarHBondContact SG-OG1 3.36Å; C142-T144 VanDerWaalsContact SG-OG1 3.37Å; C142-S145 VanDerWaalsContact CB-OG 3.24Å; C142-S145 WeakPolarHBondContact CB-OG 3.23Å; C142-S145 PolarHBondContact O-N 3.4Å; C142-S145 PolarHBondContact SG-OG 3.02Å; C142-S145 VanDerWaalsContact SG-OG 3.34Å; C142-G146 VanDerWaalsContact O-CA 3.29Å; C142-G146 WeakPolarHBondContact O-CA 3.48Å; C142-G146 PolarHBondContact O-N 3.15Å; C142-R147 WeakPolarHBondContact CB-O 3.38Å; C142-R147 PolarHBondContact N-O 2.83Å
143P85.3Confident96.1Very high96 Ų9653.5 Ų53.562%0.62328%0.279SS*.THydrogen-bonded Turntrans-61.6-30.1-174-26.835.5000113.6K141K141-P143 WeakPolarHBondContact O-CD 3.46Å
144T89.3Confident96.1Very high136 Ų13655.3 Ų55.383%0.83429%0.287SS*.THydrogen-bonded Turntrans-88-41.2-177.554.50000113C142C142-T144 PolarHBondContact O-N 2.91Å; C142-T144 PolarHBondContact SG-OG1 3.36Å; C142-T144 VanDerWaalsContact SG-OG1 3.37Å
145S92.9Very high96.1Very high59 Ų5955.5 Ų55.541%0.41329%0.288SS..THydrogen-bonded Turntrans-98.9-15.2-174.475.70000114.1C142 R147C142-S145 VanDerWaalsContact CB-OG 3.24Å; C142-S145 WeakPolarHBondContact CB-OG 3.23Å; C142-S145 PolarHBondContact O-N 3.4Å; C142-S145 PolarHBondContact SG-OG 3.02Å; C142-S145 VanDerWaalsContact SG-OG 3.34Å; S145-R147 PolarHBondContact O-N 3.3Å; S145-R147 VanDerWaalsContact O-N 3.12Å; S145-R147 WeakPolarHBondContact OG-CB 3.37Å; S145-R147 PolarHBondContact OG-N 3.02Å
146G93.3Very high96Very high43 Ų4363.4 Ų63.444%0.44333%0.325SS..  trans68.5-1.7-172.600000114.8C142C142-G146 VanDerWaalsContact O-CA 3.29Å; C142-G146 WeakPolarHBondContact O-CA 3.48Å; C142-G146 PolarHBondContact O-N 3.15Å
147R96.2Very high96Very high184 Ų18469.8 Ų69.869%0.69435%0.349SS*.  trans-76.8150.6-178.8-64.4-176.4177.4-173.5-1.5111.5C142 S145C142-R147 WeakPolarHBondContact CB-O 3.38Å; C142-R147 PolarHBondContact N-O 2.83Å; S145-R147 PolarHBondContact O-N 3.3Å; S145-R147 VanDerWaalsContact O-N 3.12Å; S145-R147 WeakPolarHBondContact OG-CB 3.37Å; S145-R147 PolarHBondContact OG-N 3.02Å
148L97.3Very high96Very high120 Ų12072.2 Ų72.263%0.62837%0.367SS*.EExtended strand (participates in β ladder)trans-79128.8169.4-63.4-179.7000109.6I140 K141 M234I140-L148 CarbonylContact O-C 3.53Å; I140-L148 VanDerWaalsContact O-CA 3.32Å; I140-L148 WeakPolarHBondContact O-CA 3.24Å; K141-L148 HydrophobicContact CB-CD2 4.19Å; K141-L148 HydrophobicContact CG-CD2 4.48Å; L148-M234 HydrophobicContact CD2-CG 4.06Å
149E96.6Very high96.1Very high58 Ų5873 Ų7327%0.27137%0.371SS..EExtended strand (participates in β ladder)trans-132.6153.4178.6-65.1-177.2-154.400110.6I139 I140 R151I139-E149 WeakPolarHBondContact CA-O 3.19Å; I140-E149 HydrophobicContact CD1-CB 4.4Å; I140-E149 HydrophobicContact CG1-CB 3.99Å; I140-E149 WeakPolarHBondContact CG1-O 3.36Å; I140-E149 PolarHBondContact N-O 3.27Å; I140-E149 PolarHBondContact O-N 3.41Å; E149-R151 IonicContact OE2-CZ 2.86Å; E149-R151 IonicContact OE2-NH1 3.07Å; E149-R151 PolarHBondContact OE2-NH1 3.04Å; E149-R151 IonicContact OE2-NH2 2.95Å; E149-R151 PolarHBondContact OE2-NH2 3.41Å
150Q97.8Very high96.1Very high56 Ų5671 Ų7126%0.26236%0.361SS..EExtended strand (participates in β ladder)trans-96141.5170.6-173.2-178.7-91.500109.7S68 R137 V138 I139S68-Q150 PolarHBondContact OG-NE2 3.3Å; R137-Q150 HydrophobicContact CB-CG 3.92Å; V138-Q150 WeakPolarHBondContact O-CA 3.38Å; I139-Q150 HydrophobicContact CD1-CB 4.21Å; I139-Q150 HydrophobicContact CD1-CG 4.25Å
151R97.9Very high96.2Very high110 Ų11075.3 Ų75.342%0.41538%0.377SS..EExtended strand (participates in β ladder)trans-129.1138.2164.4-66.8-67.5-174.7-90-3.9109.9R137 V138 I140 E149 L226R137-R151 CarbonylContact C-O 3.53Å; R137-R151 VanDerWaalsContact CA-O 3.28Å; R137-R151 WeakPolarHBondContact CA-O 3.22Å; V138-R151 HydrophobicContact CG2-CB 3.88Å; V138-R151 PolarHBondContact N-O 3.45Å; V138-R151 PolarHBondContact O-N 2.93Å; I140-R151 HydrophobicContact CD1-CG 3.78Å; I140-R151 HydrophobicContact CG1-CG 4.39Å; E149-R151 IonicContact OE2-CZ 2.86Å; E149-R151 IonicContact OE2-NH1 3.07Å; E149-R151 PolarHBondContact OE2-NH1 3.04Å; E149-R151 IonicContact OE2-NH2 2.95Å; E149-R151 PolarHBondContact OE2-NH2 3.41Å; R151-L226 HydrophobicContact CB-CD2 3.96Å
152L98.7Very high96.3Very high60 Ų6070.1 Ų70.131%0.31435%0.354SS..EExtended strand (participates in β ladder)trans-80.1149.4168.6-62.5-176.7000109.5F30 A34 G136 R137F30-L152 HydrophobicContact CB-CD2 3.54Å; A34-L152 HydrophobicContact CB-CD1 3.66Å; G136-L152 WeakPolarHBondContact O-CA 3.23Å; R137-L152 HydrophobicContact CB-CD2 4.23Å
153V98.6Very high96.7Very high2 Ų272 Ų721%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-139.9136.7175.557.20000108.8H31 A135 G136 V138 I155 L222 H225 L226 L238H31-V153 PolarHBondContact CE1-O 3.47Å; H31-V153 VanDerWaalsContact CE1-O 3.31Å; A135-V153 CarbonylContact C-O 3.53Å; A135-V153 VanDerWaalsContact CA-O 3.24Å; A135-V153 WeakPolarHBondContact CA-O 3.41Å; G136-V153 PolarHBondContact N-O 3.28Å; G136-V153 PolarHBondContact O-N 3.39Å; V138-V153 HydrophobicContact CG1-CG1 4.33Å; V153-I155 HydrophobicContact CG2-CD1 4.07Å; V153-L222 HydrophobicContact CG1-CD2 4.2Å; V153-L222 HydrophobicContact CG2-CD2 3.82Å; V153-H225 HydrophobicContact CG2-CB 4.45Å; V153-L226 HydrophobicContact CB-CD2 4.29Å; V153-L238 HydrophobicContact CG1-CD2 3.57Å
154H98.8Very high97.4Very high37 Ų3770.7 Ų70.717%0.17135%0.352CS..EExtended strand (participates in β ladder)trans-144.5116.3171.8177.9-150.3000109A135 E156 H225A135-H154 HydrophobicContact CB-CB 4.17Å; H154-E156 WeakPolarHBondContact ND1-CG 3.45Å; H154-E156 IonicContact ND1-OE1 2.8Å; H154-E156 PolarHBondContact O-N 2.89Å; H154-H225 PolarHBondContact O-CE1 3.2Å; H154-H225 PolarHBondContact O-NE2 3.1Å
155I98.6Very high97.8Very high6 Ų668.5 Ų68.53%0.03134%0.335CS..  trans-85.1103.7177.6-53-56.6000108.7T133 L134 V153 R157 I159 L221 H225T133-I155 WeakPolarHBondContact CB-O 2.98Å; T133-I155 PolarHBondContact OG1-O 2.95Å; L134-I155 PolarHBondContact O-N 3.03Å; V153-I155 HydrophobicContact CG2-CD1 4.07Å; I155-R157 HydrophobicContact CG2-CG 3.9Å; I155-R157 PolarHBondContact O-N 2.9Å; I155-I159 HydrophobicContact CB-CD1 4.14Å; I155-I159 HydrophobicContact CG1-CD1 4.26Å; I155-I159 HydrophobicContact CG2-CD1 4.15Å; I155-I159 HydrophobicContact CG2-CG2 3.97Å; I155-L221 HydrophobicContact CD1-CG 4.06Å; I155-L221 HydrophobicContact CG1-CD2 4.19Å; I155-L221 HydrophobicContact CG1-CG 4.27Å; I155-L221 HydrophobicContact CG2-CD2 4.18Å; I155-H225 HydrophobicContact CD1-CB 3.8Å
156E97.8Very high98.1Very high166 Ų16668.2 Ų68.278%0.77634%0.336SS*.  trans-80.849.6-173-65.2-176.7-153.300113.6H154H154-E156 WeakPolarHBondContact ND1-CG 3.45Å; H154-E156 IonicContact ND1-OE1 2.8Å; H154-E156 PolarHBondContact O-N 2.89Å
157R98.6Very high98.3Very high134 Ų13469.5 Ų69.551%0.50633%0.332SS..SBendtrans-160.8155.6172.461179.8-177.987.3-2.7110.4T133 I155 I159 L221T133-R157 WeakPolarHBondContact CB-O 3.24Å; T133-R157 PolarHBondContact OG1-O 2.72Å; I155-R157 HydrophobicContact CG2-CG 3.9Å; I155-R157 PolarHBondContact O-N 2.9Å; R157-I159 HydrophobicContact CG-CG2 4.04Å; R157-I159 PolarHBondContact O-N 3.13Å; R157-L221 VanDerWaalsContact NH2-CD1 3.27Å
158P98.8Very high98.4Very high71 Ų7167.9 Ų67.946%0.46133%0.332SS..  trans-70.3125.3178.229.7-35.7000110.9D131 T243D131-P158 HydrophobicContact CB-CB 3.82Å; P158-T243 HydrophobicContact CB-CG2 4.26Å
159I98.9Very high98.5Very high17 Ų1768.5 Ų68.59%0.08734%0.335CS..  trans-130.5-12-177.555.9163.7000113L132 L134 I155 R157 L189 L221L132-I159 PolarHBondContact O-N 2.78Å; L134-I159 HydrophobicContact CB-CD1 4.43Å; L134-I159 HydrophobicContact CD1-CD1 4.27Å; L134-I159 HydrophobicContact CG-CD1 4.18Å; I155-I159 HydrophobicContact CB-CD1 4.14Å; I155-I159 HydrophobicContact CG1-CD1 4.26Å; I155-I159 HydrophobicContact CG2-CD1 4.15Å; I155-I159 HydrophobicContact CG2-CG2 3.97Å; R157-I159 HydrophobicContact CG-CG2 4.04Å; R157-I159 PolarHBondContact O-N 3.13Å; I159-L189 HydrophobicContact CB-CD1 4.2Å; I159-L189 WeakPolarHBondContact O-CD1 3.26Å; I159-L221 HydrophobicContact CD1-CD2 3.65Å; I159-L221 HydrophobicContact CG2-CD2 4.11Å
160L98.9Very high98.5Very high6 Ų668.8 Ų68.83%0.03134%0.336CS..BIsolated β-bridgetrans-131148-176.5-70.3169.6000110.2V114 L132 L134 P187 I188 L189 L240V114-L160 HydrophobicContact CB-CD2 4.33Å; V114-L160 HydrophobicContact CG2-CD2 3.92Å; L132-L160 WeakPolarHBondContact CA-O 3.46Å; L132-L160 HydrophobicContact CB-CB 3.91Å; L132-L160 WeakPolarHBondContact CB-O 3.3Å; L132-L160 PolarHBondContact N-O 3.27Å; L132-L160 PolarHBondContact O-N 3.12Å; L134-L160 HydrophobicContact CD1-CD1 4.15Å; L134-L160 HydrophobicContact CD2-CD1 3.64Å; L134-L160 HydrophobicContact CG-CD1 3.67Å; L160-P187 HydrophobicContact CB-CB 4.1Å; L160-P187 HydrophobicContact CD2-CB 3.96Å; L160-P187 HydrophobicContact CD2-CG 4.12Å; L160-P187 HydrophobicContact CG-CB 4.48Å; L160-I188 WeakPolarHBondContact CA-O 3.47Å; L160-L189 HydrophobicContact CD2-CB 3.78Å; L160-L189 HydrophobicContact CD2-CD1 3.99Å; L160-L189 HydrophobicContact CD2-CG 4.39Å; L160-L240 HydrophobicContact CD1-CD2 4.08Å; L160-L240 HydrophobicContact CD1-CG 3.96Å
161R98.9Very high98.5Very high94 Ų9475.5 Ų75.536%0.35536%0.359SS..BIsolated β-bridgetrans-145.7132.4176.8-17966.2169.6-126.33.3110.2D129 R130 D131 P163 P187 I188D129-R161 IonicContact OD1-CZ 2.84Å; D129-R161 IonicContact OD1-NE 3.67Å; D129-R161 PolarHBondContact OD1-NE 2.87Å; D129-R161 IonicContact OD1-NH2 2.92Å; D129-R161 PolarHBondContact OD1-NH2 2.87Å; R130-R161 WeakPolarHBondContact O-CD 3.37Å; D131-R161 IonicContact OD1-NH1 2.72Å; D131-R161 PolarHBondContact OD1-NH1 3.18Å; R161-P163 WeakPolarHBondContact O-CD 3.32Å; R161-P187 CarbonylContact O-C 3.41Å; R161-P187 WeakPolarHBondContact O-CA 3.23Å; R161-I188 PolarHBondContact N-O 3.16Å; R161-I188 PolarHBondContact O-N 3.08Å
162I98.9Very high98.5Very high1 Ų175.5 Ų75.51%0.00537%0.368CS..  trans-10495.9167.8-57171.3000106.9L98 W127 F128 D129 L132 L185 P187L98-I162 HydrophobicContact CD1-CD1 3.33Å; W127-I162 HydrophobicContact CB-CD1 4.4Å; F128-I162 CarbonylContact C-O 3.41Å; F128-I162 VanDerWaalsContact CA-O 3.31Å; F128-I162 WeakPolarHBondContact CA-O 3.42Å; F128-I162 HydrophobicContact CD1-CG2 3.73Å; F128-I162 HydrophobicContact CD2-CG2 4.5Å; F128-I162 HydrophobicContact CE1-CG2 3.71Å; F128-I162 HydrophobicContact CG-CG2 4.14Å; F128-I162 HydrophobicContact CZ-CG2 4.12Å; D129-I162 PolarHBondContact N-O 3.28Å; L132-I162 HydrophobicContact CD1-CD1 4.01Å; L132-I162 HydrophobicContact CD1-CG1 4.07Å; I162-L185 WeakPolarHBondContact CD1-O 3.47Å; I162-P187 HydrophobicContact CG1-CB 3.79Å
163P98.8Very high98.5Very high56 Ų5673.7 Ų73.736%0.36436%0.358SS..PPolyproline II helixtrans-78.2145-175.431.5-35.3000111.9D129 R161 I188D129-P163 WeakPolarHBondContact OD1-CA 3.38Å; R161-P163 WeakPolarHBondContact O-CD 3.32Å; P163-I188 HydrophobicContact CG-CD1 3.92Å
164H98.8Very high98.5Very high68 Ų6880.1 Ų80.132%0.31539%0.392SS..PPolyproline II helixtrans-67.2150.8163.2-92.9-78.2000111.6F128 D129 F177F128-H164 WeakPolarHBondContact CB-CD2 3.21Å; F128-H164 WeakPolarHBondContact CB-NE2 3.25Å; F128-H164 AromaticContact CD1-CG 3.98Å; F128-H164 AromaticContact CG-CD2 3.97Å; F128-H164 AromaticContact CG-NE2 3.79Å; D129-H164 WeakPolarHBondContact OD2-CB 3.45Å; D129-H164 IonicContact OD2-CD2 3.23Å; D129-H164 PolarHBondContact OD2-CD2 3.1Å; D129-H164 VanDerWaalsContact OD2-CD2 3.23Å; D129-H164 IonicContact OD2-CG 3.96Å; D129-H164 PolarHBondContact OD2-N 3.03Å; H164-F177 AromaticContact CE1-CE1 3.38Å; H164-F177 WeakPolarHBondContact CE1-CE1 3.44Å; H164-F177 AromaticContact CE1-CE2 3.69Å; H164-F177 AromaticContact CE1-CZ 3.19Å; H164-F177 WeakPolarHBondContact CE1-CZ 3.45Å; H164-F177 AromaticContact ND1-CE2 3.9Å; H164-F177 AromaticContact ND1-CZ 3.7Å
165L98.6Very high98.4Very high90 Ų9084.7 Ų84.747%0.47141%0.414SS..PPolyproline II helixtrans-71.3135.2159.2-178.860.6000108.9I167 L169 Q170L165-I167 PolarHBondContact O-N 3.38Å; L165-L169 HydrophobicContact CD1-CB 3.96Å; L165-L169 HydrophobicContact CD1-CD1 3.81Å; L165-L169 HydrophobicContact CD2-CB 4.05Å; L165-L169 HydrophobicContact CG-CB 3.97Å; L165-Q170 HydrophobicContact CD2-CB 4.12Å; L165-Q170 HydrophobicContact CG-CB 4.49Å
166A98.6Very high98.4Very high53 Ų5390.4 Ų90.444%0.43845%0.445SS..PPolyproline II helixtrans-56135.4177.800000111.5H168 L169 Q170A166-H168 PolarHBondContact O-N 2.85Å; A166-L169 PolarHBondContact O-N 2.91Å; A166-Q170 PolarHBondContact O-N 3.1Å
167I98.5Very high98.4Very high71 Ų7185 Ų8536%0.36442%0.418SS..G310 helixtrans-53.7-30.5-178.9-170.9165.5000113.5L165 L169 Q170 R171 I173L165-I167 PolarHBondContact O-N 3.38Å; I167-L169 PolarHBondContact O-N 3.34Å; I167-L169 VanDerWaalsContact O-N 3.15Å; I167-Q170 CarbonylContact O-C 3.55Å; I167-Q170 PolarHBondContact O-N 2.91Å; I167-R171 WeakPolarHBondContact O-CA 3.28Å; I167-R171 PolarHBondContact O-N 2.83Å; I167-I173 HydrophobicContact CB-CG2 4.32Å; I167-I173 HydrophobicContact CD1-CG2 3.8Å; I167-I173 HydrophobicContact CG1-CG2 3.75Å
168H98.4Very high98.4Very high149 Ų14981.6 Ų81.669%0.6943%0.425SS*.G310 helixtrans-57.5-29.5175.4-55.191.9000113.3A166A166-H168 PolarHBondContact O-N 2.85Å
169L98.4Very high98.3Very high134 Ų13479.4 Ų79.470%0.70241%0.411SS*.G310 helixtrans-100.5-8.4178.5-58.1177000112.8L165 A166 I167L165-L169 HydrophobicContact CD1-CB 3.96Å; L165-L169 HydrophobicContact CD1-CD1 3.81Å; L165-L169 HydrophobicContact CD2-CB 4.05Å; L165-L169 HydrophobicContact CG-CB 3.97Å; A166-L169 PolarHBondContact O-N 2.91Å; I167-L169 PolarHBondContact O-N 3.34Å; I167-L169 VanDerWaalsContact O-N 3.15Å
170Q97.9Very high98.3Very high63 Ų6382.3 Ų82.329%0.29443%0.427SS..SBendtrans-138.868.6174.1-168.2179.7-8.200109.7L165 A166 I167 N172 I173L165-Q170 HydrophobicContact CD2-CB 4.12Å; L165-Q170 HydrophobicContact CG-CB 4.49Å; A166-Q170 PolarHBondContact O-N 3.1Å; I167-Q170 CarbonylContact O-C 3.55Å; I167-Q170 PolarHBondContact O-N 2.91Å; Q170-N172 PolarHBondContact O-N 3.38Å; Q170-N172 VanDerWaalsContact O-N 3.12Å; Q170-I173 HydrophobicContact CG-CB 4.12Å; Q170-I173 WeakPolarHBondContact O-CB 3.22Å; Q170-I173 PolarHBondContact O-N 2.75Å
171R97.7Very high98.3Very high198 Ų19885.1 Ų85.175%0.74744%0.444SS*.THydrogen-bonded Turntrans-61-28.7-164.7-64.5-175.4-179.9-155.81.5114.7I167I167-R171 WeakPolarHBondContact O-CA 3.28Å; I167-R171 PolarHBondContact O-N 2.83Å
172N97.9Very high98.3Very high110 Ų11084 Ų8459%0.58844%0.443SS*.THydrogen-bonded Turntrans-98.323.1-177.3-60.7104.4000114.2Q170 N174 E175 N176Q170-N172 PolarHBondContact O-N 3.38Å; Q170-N172 VanDerWaalsContact O-N 3.12Å; N172-N174 VanDerWaalsContact C-N 3.27Å; N172-N174 PolarHBondContact O-N 2.69Å; N172-E175 WeakPolarHBondContact CA-OE2 3.47Å; N172-E175 PolarHBondContact O-N 2.99Å; N172-N176 PolarHBondContact O-N 2.89Å
173I97.8Very high98.3Very high21 Ų2188.9 Ų88.911%0.10847%0.468CS..THydrogen-bonded Turntrans-64.9-30-176.8-164.7170.6000113I167 Q170 E175 N176 F177I167-I173 HydrophobicContact CB-CG2 4.32Å; I167-I173 HydrophobicContact CD1-CG2 3.8Å; I167-I173 HydrophobicContact CG1-CG2 3.75Å; Q170-I173 HydrophobicContact CG-CB 4.12Å; Q170-I173 WeakPolarHBondContact O-CB 3.22Å; Q170-I173 PolarHBondContact O-N 2.75Å; I173-E175 VanDerWaalsContact C-N 3.33Å; I173-N176 CarbonylContact O-C 3.37Å; I173-F177 HydrophobicContact CD1-CD2 3.68Å; I173-F177 HydrophobicContact CD1-CE2 3.99Å; I173-F177 HydrophobicContact CD1-CG 4.3Å; I173-F177 HydrophobicContact CG1-CB 3.92Å; I173-F177 HydrophobicContact CG1-CD2 3.6Å; I173-F177 HydrophobicContact CG1-CE2 4.4Å; I173-F177 HydrophobicContact CG1-CG 3.97Å
174N97.9Very high98.3Very high137 Ų13791.1 Ų91.173%0.73347%0.473SS*.THydrogen-bonded Turntrans-74.2-26.5-179.6-71-27.7000112.1N172N172-N174 VanDerWaalsContact C-N 3.27Å; N172-N174 PolarHBondContact O-N 2.69Å
175E98.1Very high98.3Very high133 Ų13387.9 Ų87.962%0.62146%0.458SS*.THydrogen-bonded Turntrans-81.7-38.9176.4-61.487.1159.600111.7N172 I173N172-E175 WeakPolarHBondContact CA-OE2 3.47Å; N172-E175 PolarHBondContact O-N 2.99Å; I173-E175 VanDerWaalsContact C-N 3.33Å
176N97.5Very high98.3Very high127 Ų12784.1 Ų84.168%0.67944%0.439SS*.  trans-155116.9177.1-173.10.2000111.9N172 I173N172-N176 PolarHBondContact O-N 2.89Å; I173-N176 CarbonylContact O-C 3.37Å
177F98.3Very high98.3Very high52 Ų5281.6 Ų81.623%0.22842%0.418CS..  trans-117.199.6171.9-178.1-122.3000111.2F128 H164 I173 P179F128-F177 HydrophobicContact CD1-CZ 4.36Å; F128-F177 HydrophobicContact CD2-CE1 4.08Å; F128-F177 HydrophobicContact CD2-CZ 4.01Å; F128-F177 HydrophobicContact CE1-CZ 4.11Å; F128-F177 HydrophobicContact CE2-CE1 4.04Å; F128-F177 AromaticContact CE2-CZ 3.72Å; F128-F177 HydrophobicContact CE2-CZ 3.72Å; F128-F177 HydrophobicContact CG-CZ 4.32Å; F128-F177 AromaticContact CZ-CZ 3.79Å; F128-F177 HydrophobicContact CZ-CZ 3.79Å; H164-F177 AromaticContact CE1-CE1 3.38Å; H164-F177 WeakPolarHBondContact CE1-CE1 3.44Å; H164-F177 AromaticContact CE1-CE2 3.69Å; H164-F177 AromaticContact CE1-CZ 3.19Å; H164-F177 WeakPolarHBondContact CE1-CZ 3.45Å; H164-F177 AromaticContact ND1-CE2 3.9Å; H164-F177 AromaticContact ND1-CZ 3.7Å; I173-F177 HydrophobicContact CD1-CD2 3.68Å; I173-F177 HydrophobicContact CD1-CE2 3.99Å; I173-F177 HydrophobicContact CD1-CG 4.3Å; I173-F177 HydrophobicContact CG1-CB 3.92Å; I173-F177 HydrophobicContact CG1-CD2 3.6Å; I173-F177 HydrophobicContact CG1-CE2 4.4Å; I173-F177 HydrophobicContact CG1-CG 3.97Å; F177-P179 HydrophobicContact CD1-CG 4.48Å; F177-P179 HydrophobicContact CE1-CB 4.39Å; F177-P179 HydrophobicContact CE1-CG 3.87Å; F177-P179 HydrophobicContact CE2-CB 4.19Å; F177-P179 HydrophobicContact CE2-CG 4.43Å; F177-P179 HydrophobicContact CZ-CB 3.84Å; F177-P179 HydrophobicContact CZ-CG 3.83Å; F177-P179 WeakPolarHBondContact O-CD 3.31Å
178G98.1Very high98.3Very high62 Ų6280 Ų8064%0.63941%0.41SS*.  trans-118.181.7175.600000111.6N180G178-N180 PolarHBondContact O-N 3.44Å
179P98.4Very high98.4Very high25 Ų2574.2 Ų74.216%0.16238%0.384CS..  trans-65.3134.1-178.826.8-33.6000110.9F128 F177 T181 H184F128-P179 HydrophobicContact CE2-CB 3.83Å; F128-P179 HydrophobicContact CE2-CG 3.87Å; F128-P179 HydrophobicContact CZ-CB 3.68Å; F128-P179 HydrophobicContact CZ-CG 4.25Å; F177-P179 HydrophobicContact CD1-CG 4.48Å; F177-P179 HydrophobicContact CE1-CB 4.39Å; F177-P179 HydrophobicContact CE1-CG 3.87Å; F177-P179 HydrophobicContact CE2-CB 4.19Å; F177-P179 HydrophobicContact CE2-CG 4.43Å; F177-P179 HydrophobicContact CZ-CB 3.84Å; F177-P179 HydrophobicContact CZ-CG 3.83Å; F177-P179 WeakPolarHBondContact O-CD 3.31Å; P179-T181 PolarHBondContact O-N 2.87Å; P179-H184 HydrophobicContact CB-CB 4.07Å
180N98.8Very high98.4Very high79 Ų7969 Ų6942%0.42236%0.36SS..  trans-67121.2168.8-179.5-65.4000108.9G178 E182 I183 H184G178-N180 PolarHBondContact O-N 3.44Å; N180-E182 PolarHBondContact O-N 3.29Å; N180-E182 WeakPolarHBondContact OD1-CB 3.48Å; N180-E182 PolarHBondContact OD1-N 2.88Å; N180-I183 HydrophobicContact CB-CB 4.4Å; N180-I183 PolarHBondContact O-N 2.64Å; N180-I183 PolarHBondContact OD1-N 3.47Å; N180-I183 VanDerWaalsContact OD1-N 3.08Å; N180-H184 PolarHBondContact N-ND1 3.45Å; N180-H184 WeakPolarHBondContact O-CB 3.49Å; N180-H184 PolarHBondContact O-N 2.97Å
181T98.7Very high98.4Very high64 Ų6468.4 Ų68.439%0.39336%0.361SS..THydrogen-bonded Turntrans-67.4-23.1-171.656.60000113.8T118 P179 L185T118-T181 HydrophobicContact CG2-CG2 4.24Å; P179-T181 PolarHBondContact O-N 2.87Å; T181-L185 HydrophobicContact CG2-CD1 4.03Å
182E98.6Very high98.4Very high72 Ų7260.8 Ų60.834%0.33634%0.34SS..THydrogen-bonded Turntrans-87.9-32.8-179.3-179.955.3-145.500113K101 R106 N180K101-E182 IonicContact NZ-OE1 3.77Å; K101-E182 PolarHBondContact NZ-OE1 3.25Å; K101-E182 IonicContact NZ-OE2 2.69Å; K101-E182 PolarHBondContact NZ-OE2 3.36Å; R106-E182 IonicContact CZ-OE1 3.72Å; R106-E182 PolarHBondContact NH1-O 3.08Å; R106-E182 IonicContact NH1-OE1 2.68Å; R106-E182 PolarHBondContact NH1-OE1 2.77Å; R106-E182 IonicContact NH2-OE1 3.78Å; R106-E182 PolarHBondContact NH2-OE1 2.83Å; N180-E182 PolarHBondContact O-N 3.29Å; N180-E182 WeakPolarHBondContact OD1-CB 3.48Å; N180-E182 PolarHBondContact OD1-N 2.88Å
183I98.6Very high98.3Very high103 Ų10360.2 Ų60.253%0.52834%0.34SS..THydrogen-bonded Turntrans-104.5-40.2-170.7-53-60.4000111.9N180N180-I183 HydrophobicContact CB-CB 4.4Å; N180-I183 PolarHBondContact O-N 2.64Å; N180-I183 PolarHBondContact OD1-N 3.47Å; N180-I183 VanDerWaalsContact OD1-N 3.08Å
184H98.8Very high98.3Very high102 Ų10263.4 Ų63.447%0.47236%0.355SS..THydrogen-bonded Turntrans-96.7-12-170.4-56.8162.3000114.1F128 P179 N180 V186F128-H184 WeakPolarHBondContact CE1-O 3.42Å; F128-H184 HydrophobicContact CZ-CB 4.23Å; F128-H184 WeakPolarHBondContact CZ-O 3.44Å; P179-H184 HydrophobicContact CB-CB 4.07Å; N180-H184 PolarHBondContact N-ND1 3.45Å; N180-H184 WeakPolarHBondContact O-CB 3.49Å; N180-H184 PolarHBondContact O-N 2.97Å; H184-V186 VanDerWaalsContact C-N 3.34Å
185L98.9Very high98.2Very high1 Ų159.1 Ų59.11%0.00533%0.33CS..SBendtrans-93.112.7178.5-60.4-178.6000113.7L98 V116 T118 W124 F128 I162 T181 P187L98-L185 HydrophobicContact CD2-CD1 4.09Å; V116-L185 HydrophobicContact CG2-CB 4.41Å; V116-L185 WeakPolarHBondContact CG2-O 3.21Å; T118-L185 HydrophobicContact CG2-CD1 3.95Å; W124-L185 HydrophobicContact CB-CD1 3.87Å; W124-L185 HydrophobicContact CB-CD2 4Å; W124-L185 HydrophobicContact CD2-CD1 4.27Å; W124-L185 HydrophobicContact CG-CD1 3.88Å; F128-L185 HydrophobicContact CD2-CD2 4.24Å; F128-L185 HydrophobicContact CE2-CD2 3.32Å; F128-L185 HydrophobicContact CZ-CD2 3.67Å; I162-L185 WeakPolarHBondContact CD1-O 3.47Å; T181-L185 HydrophobicContact CG2-CD1 4.03Å; L185-P187 WeakPolarHBondContact O-CD 3.48Å
186V98.9Very high98Very high11 Ų1157.7 Ų57.77%0.06732%0.324CS..  trans-83.4106.9-173.4-170.60000110Q113 H184Q113-V186 HydrophobicContact CB-CG1 3.77Å; Q113-V186 HydrophobicContact CG-CG1 4.38Å; H184-V186 VanDerWaalsContact C-N 3.34Å
187P98.9Very high97.9Very high0 Ų057.8 Ų57.80%032%0.323CS..  trans-67.4149.9179.530.8-42.3000113.1Q113 V114 V116 L160 R161 I162 L185 L240Q113-P187 VanDerWaalsContact CA-O 3.23Å; Q113-P187 WeakPolarHBondContact CA-O 3.48Å; Q113-P187 WeakPolarHBondContact CB-O 3.43Å; V114-P187 HydrophobicContact CB-CG 4.11Å; V114-P187 PolarHBondContact N-O 3.47Å; V114-P187 WeakPolarHBondContact O-CD 3.48Å; V114-P187 WeakPolarHBondContact O-CG 3.47Å; V116-P187 HydrophobicContact CG1-CG 3.94Å; L160-P187 HydrophobicContact CB-CB 4.1Å; L160-P187 HydrophobicContact CD2-CB 3.96Å; L160-P187 HydrophobicContact CD2-CG 4.12Å; L160-P187 HydrophobicContact CG-CB 4.48Å; R161-P187 CarbonylContact O-C 3.41Å; R161-P187 WeakPolarHBondContact O-CA 3.23Å; I162-P187 HydrophobicContact CG1-CB 3.79Å; L185-P187 WeakPolarHBondContact O-CD 3.48Å; P187-L240 HydrophobicContact CG-CD2 4.11Å
188I98.9Very high97.7Very high37 Ų3762.1 Ų62.119%0.1934%0.344CS..EExtended strand (participates in β ladder)trans-89.5137.4168.3-59.3172.2000108.6Y111 Q113 L160 R161 P163Y111-I188 HydrophobicContact CD1-CD1 4.07Å; Y111-I188 HydrophobicContact CD1-CG1 4.45Å; Y111-I188 HydrophobicContact CD1-CG2 3.43Å; Y111-I188 VanDerWaalsContact CD1-CG2 3.43Å; Y111-I188 HydrophobicContact CD2-CD1 4.26Å; Y111-I188 HydrophobicContact CE1-CD1 4.21Å; Y111-I188 HydrophobicContact CE1-CG2 4.07Å; Y111-I188 HydrophobicContact CE2-CD1 4.4Å; Y111-I188 HydrophobicContact CG-CD1 4.1Å; Y111-I188 HydrophobicContact CG-CG1 4.39Å; Y111-I188 HydrophobicContact CG-CG2 4.06Å; Q113-I188 HydrophobicContact CG-CG1 4.27Å; L160-I188 WeakPolarHBondContact CA-O 3.47Å; R161-I188 PolarHBondContact N-O 3.16Å; R161-I188 PolarHBondContact O-N 3.08Å; P163-I188 HydrophobicContact CG-CD1 3.92Å
189L98.8Very high97.3Very high27 Ų2764.3 Ų64.314%0.14134%0.336CS..EExtended strand (participates in β ladder)trans-112.5-43.2177.9175.259000112.5H112 V114 I159 L160 V217 L218H112-L189 PolarHBondContact O-N 2.91Å; V114-L189 HydrophobicContact CG2-CB 4.07Å; V114-L189 HydrophobicContact CG2-CD2 3.88Å; I159-L189 HydrophobicContact CB-CD1 4.2Å; I159-L189 WeakPolarHBondContact O-CD1 3.26Å; L160-L189 HydrophobicContact CD2-CB 3.78Å; L160-L189 HydrophobicContact CD2-CD1 3.99Å; L160-L189 HydrophobicContact CD2-CG 4.39Å; L189-V217 HydrophobicContact CD2-CG1 3.77Å; L189-V217 HydrophobicContact CG-CG1 4.2Å; L189-L218 HydrophobicContact CD2-CB 3.81Å
190A98.7Very high96.7Very high25 Ų2564.9 Ų64.921%0.20735%0.347CS..EExtended strand (participates in β ladder)trans-156.5177.6-175.300000111H112 V217H112-A190 HydrophobicContact CB-CB 4.25Å; H112-A190 PolarHBondContact N-O 3.41Å; H112-A190 PolarHBondContact O-N 3.03Å; A190-V217 HydrophobicContact CB-CG1 4.21Å
191T98.5Very high95.6Very high50 Ų5066 Ų6631%0.30736%0.357SS..EExtended strand (participates in β ladder)trans-112.3149.9168.663.70000110G110 Y111 V193 Q194 E195G110-T191 CarbonylContact O-C 3.59Å; G110-T191 WeakPolarHBondContact O-CA 3.39Å; Y111-T191 HydrophobicContact CD1-CG2 3.84Å; Y111-T191 HydrophobicContact CE1-CG2 3.79Å; T191-V193 PolarHBondContact O-N 2.88Å; T191-Q194 PolarHBondContact O-N 3.25Å; T191-Q194 WeakPolarHBondContact OG1-CB 3.42Å; T191-Q194 PolarHBondContact OG1-N 3.08Å; T191-Q194 VanDerWaalsContact OG1-N 3.13Å; T191-E195 PolarHBondContact O-N 3.22Å
192A96.7Very high93.9Very high38 Ų3868.7 Ų68.731%0.31438%0.375SS..Hα-helixtrans-60.1-37.2173.700000111.8G110 H112 Q194 E195 E196G110-A192 PolarHBondContact O-N 3.38Å; H112-A192 WeakPolarHBondContact NE2-CA 3.13Å; H112-A192 PolarHBondContact NE2-N 3.08Å; A192-Q194 PolarHBondContact O-N 3.27Å; A192-E195 PolarHBondContact O-N 3.12Å; A192-E196 WeakPolarHBondContact O-CB 3.2Å; A192-E196 PolarHBondContact O-N 3.42Å
193V97.6Very high91.9Very high98 Ų9873.7 Ų73.759%0.59440%0.399SS*.Hα-helixtrans-60.1-47176.2178.50000111T191 E196 L197T191-V193 PolarHBondContact O-N 2.88Å; V193-E196 PolarHBondContact O-N 3.43Å; V193-L197 HydrophobicContact CG1-CD1 4.28Å; V193-L197 WeakPolarHBondContact O-CG 3.38Å; V193-L197 PolarHBondContact O-N 3.01Å; V193-L197 VanDerWaalsContact O-N 3.09Å
194Q97.7Very high89.7Confident89 Ų8975.2 Ų75.242%0.41642%0.416SS..Hα-helixtrans-69.4-37.5178.6-167.164.836.500111.5T191 A192 E196 L197 E198T191-Q194 PolarHBondContact O-N 3.25Å; T191-Q194 WeakPolarHBondContact OG1-CB 3.42Å; T191-Q194 PolarHBondContact OG1-N 3.08Å; T191-Q194 VanDerWaalsContact OG1-N 3.13Å; A192-Q194 PolarHBondContact O-N 3.27Å; Q194-E196 VanDerWaalsContact C-N 3.33Å; Q194-E196 PolarHBondContact O-N 3.03Å; Q194-L197 PolarHBondContact O-N 3.41Å; Q194-E198 HydrophobicContact CG-CG 4.19Å; Q194-E198 PolarHBondContact NE2-OE1 3.27Å; Q194-E198 WeakPolarHBondContact O-CB 3.37Å; Q194-E198 WeakPolarHBondContact O-CG 3.16Å; Q194-E198 PolarHBondContact O-N 2.96Å
195E94.9Very high87.6Confident46 Ų4673 Ų7322%0.21542%0.42CS..Hα-helixtrans-60.2-43.3176-174171.9-138.500111.6H112 T191 A192 E198 K199 S216H112-E195 IonicContact CD2-OE2 3.18Å; H112-E195 IonicContact CE1-OE2 3.84Å; H112-E195 IonicContact NE2-OE2 2.89Å; H112-E195 PolarHBondContact NE2-OE2 3.49Å; T191-E195 PolarHBondContact O-N 3.22Å; A192-E195 PolarHBondContact O-N 3.12Å; E195-E198 PolarHBondContact O-N 3.32Å; E195-K199 HydrophobicContact CG-CD 4.14Å; E195-K199 WeakPolarHBondContact O-CB 3.39Å; E195-K199 PolarHBondContact O-N 2.91Å; E195-S216 PolarHBondContact OE1-OG 2.9Å
196E94.4Very high85.1Confident104 Ų10477.9 Ų77.949%0.48645%0.452SS..Hα-helixtrans-63.6-40.1176.4-173.8179.9170.700112.3A192 V193 Q194 G200 T201A192-E196 WeakPolarHBondContact O-CB 3.2Å; A192-E196 PolarHBondContact O-N 3.42Å; V193-E196 PolarHBondContact O-N 3.43Å; Q194-E196 VanDerWaalsContact C-N 3.33Å; Q194-E196 PolarHBondContact O-N 3.03Å; E196-G200 CarbonylContact O-C 3.57Å; E196-G200 WeakPolarHBondContact O-CA 3.42Å; E196-G200 PolarHBondContact O-N 3.06Å; E196-T201 HydrophobicContact CG-CG2 4.17Å; E196-T201 WeakPolarHBondContact OE1-CG2 3.3Å
197L95.8Very high82.4Confident128 Ų12886.3 Ų86.367%0.6750%0.496SS*.Hα-helixtrans-66.9-35.3176.8-70.1173.5000112.8V193 Q194V193-L197 HydrophobicContact CG1-CD1 4.28Å; V193-L197 WeakPolarHBondContact O-CG 3.38Å; V193-L197 PolarHBondContact O-N 3.01Å; V193-L197 VanDerWaalsContact O-N 3.09Å; Q194-L197 PolarHBondContact O-N 3.41Å
198E93.8Very high79.9Confident143 Ų14390.2 Ų90.267%0.66854%0.535SS*.Hα-helixtrans-82.3-33.9-178-66.7-69.9163.700113Q194 E195Q194-E198 HydrophobicContact CG-CG 4.19Å; Q194-E198 PolarHBondContact NE2-OE1 3.27Å; Q194-E198 WeakPolarHBondContact O-CB 3.37Å; Q194-E198 WeakPolarHBondContact O-CG 3.16Å; Q194-E198 PolarHBondContact O-N 2.96Å; E195-E198 PolarHBondContact O-N 3.32Å
199K88.8Confident77.5Confident108 Ų10891.8 Ų91.847%0.4755%0.554SS.*Hα-helixtrans-114.4-10.6-172.3-62.1-172176.1-170.90114.5E195 S216 S220E195-K199 HydrophobicContact CG-CD 4.14Å; E195-K199 WeakPolarHBondContact O-CB 3.39Å; E195-K199 PolarHBondContact O-N 2.91Å; K199-S216 PolarHBondContact NZ-OG 2.84Å; K199-S220 PolarHBondContact NZ-OG 2.62Å
200G85.5Confident75.6Confident38 Ų3895.5 Ų95.539%0.39258%0.578SS.*  trans79.3174.3-165.200000112.3E196E196-G200 CarbonylContact O-C 3.57Å; E196-G200 WeakPolarHBondContact O-CA 3.42Å; E196-G200 PolarHBondContact O-N 3.06Å
201T75.8Confident74.2Confident101 Ų10197.3 Ų97.362%0.6258%0.584SS**SBendtrans-64129.6171.210.70000109.5E196 E203E196-T201 HydrophobicContact CG-CG2 4.17Å; E196-T201 WeakPolarHBondContact OE1-CG2 3.3Å; T201-E203 PolarHBondContact O-N 3.08Å
202P64.4Low73.7Confident121 Ų121101.3 Ų101.379%0.78660%0.599SS**PPolyproline II helixtrans-60.1118.1176.8-4.710.7000109.2
203E56.7Low73.5Confident177 Ų177102.6 Ų102.683%0.82760%0.596SS**PPolyproline II helixtrans-64.2139.5165.5-69.1-160.5167.300108.5T201 G205T201-E203 PolarHBondContact O-N 3.08Å; E203-G205 VanDerWaalsContact C-N 3.29Å; E203-G205 PolarHBondContact O-N 3.34Å
204P52.3Low73.5Confident136 Ų13698.2 Ų98.288%0.88357%0.569SS**  trans-63.193.4174.924.3-31.2000109.5
205G54.8Low73.4Confident54 Ų5494.2 Ų94.256%0.55755%0.55SS**  trans-71166.1172.900000111.7E203 L207E203-G205 VanDerWaalsContact C-N 3.29Å; E203-G205 PolarHBondContact O-N 3.34Å; G205-L207 PolarHBondContact O-N 3.21Å
206P46.5Very low73.4Confident104 Ų10494.5 Ų94.568%0.67556%0.558SS**  trans-56.5130.8177.120.1-29.4000111.4G208 A209P206-G208 PolarHBondContact O-N 3.46Å; P206-A209 HydrophobicContact CG-CB 4.18Å; P206-A209 PolarHBondContact O-N 3.49Å
207L41.1Very low73.4Confident189 Ų18991.6 Ų91.699%0.9955%0.547SS*.THydrogen-bonded Turntrans-50.7110.9173.4-81.5143.7000109.8G205G205-L207 PolarHBondContact O-N 3.21Å
208G45.9Very low73.5Confident81 Ų8185.5 Ų85.584%0.83552%0.515SS*.THydrogen-bonded Turntrans110.91.6173.600000117.1P206P206-G208 PolarHBondContact O-N 3.46Å
209A49Very low73.6Confident71 Ų7179.3 Ų79.359%0.58749%0.486SS*.  trans-86.8-15.3-178.100000115.2P206P206-A209 HydrophobicContact CG-CB 4.18Å; P206-A209 PolarHBondContact O-N 3.49Å
210T59.7Low73.8Confident105 Ų10576.2 Ų76.264%0.64448%0.478SS*.SBendtrans-114.8132.4-174.151.20000111.7E212T210-E212 WeakPolarHBondContact O-CG 3.15Å; T210-E212 PolarHBondContact O-N 3.22Å
211D69Low74.3Confident63 Ų6376 Ų7634%0.33747%0.468SS..  trans-62.699.5172.9-174.6-0.7000110.9R213D211-R213 VanDerWaalsContact CG-NE 3.34Å; D211-R213 PolarHBondContact O-N 3.03Å; D211-R213 WeakPolarHBondContact OD1-CB 3.47Å; D211-R213 WeakPolarHBondContact OD1-CG 3.49Å; D211-R213 IonicContact OD1-CZ 3.71Å; D211-R213 PolarHBondContact OD1-N 3.05Å; D211-R213 IonicContact OD1-NE 3.73Å; D211-R213 PolarHBondContact OD1-NE 3.31Å; D211-R213 IonicContact OD2-CZ 2.68Å; D211-R213 VanDerWaalsContact OD2-CZ 3.23Å; D211-R213 IonicContact OD2-NE 3.98Å; D211-R213 PolarHBondContact OD2-NE 3.2Å; D211-R213 IonicContact OD2-NH2 3.54Å; D211-R213 PolarHBondContact OD2-NH2 2.95Å
212E87Confident75.4Confident133 Ų13371.2 Ų71.262%0.62144%0.438SS*.THydrogen-bonded Turntrans-79.10.7179.1-58.6-162.8138.400113.6R105 T210 H214R105-E212 VanDerWaalsContact CD-O 3.28Å; R105-E212 WeakPolarHBondContact CD-O 3.41Å; R105-E212 IonicContact NH1-OE1 3.7Å; T210-E212 WeakPolarHBondContact O-CG 3.15Å; T210-E212 PolarHBondContact O-N 3.22Å; E212-H214 PolarHBondContact O-N 3.07Å
213R94.1Very high76.8Confident65 Ų6565.8 Ų65.825%0.24540%0.404CS..THydrogen-bonded Turntrans-60.7-31.4178.9-66.4-177.6-70.2179.1-2.8111.6K103 S104 R105 D211 M234 E235K103-R213 CarbonylContact C-O 3.55Å; K103-R213 WeakPolarHBondContact CA-O 3.48Å; K103-R213 HydrophobicContact CG-CB 4.31Å; K103-R213 HydrophobicContact CG-CG 4.07Å; S104-R213 PolarHBondContact N-O 3.33Å; R105-R213 PolarHBondContact N-O 2.86Å; D211-R213 VanDerWaalsContact CG-NE 3.34Å; D211-R213 PolarHBondContact O-N 3.03Å; D211-R213 WeakPolarHBondContact OD1-CB 3.47Å; D211-R213 WeakPolarHBondContact OD1-CG 3.49Å; D211-R213 IonicContact OD1-CZ 3.71Å; D211-R213 PolarHBondContact OD1-N 3.05Å; D211-R213 IonicContact OD1-NE 3.73Å; D211-R213 PolarHBondContact OD1-NE 3.31Å; D211-R213 IonicContact OD2-CZ 2.68Å; D211-R213 VanDerWaalsContact OD2-CZ 3.23Å; D211-R213 IonicContact OD2-NE 3.98Å; D211-R213 PolarHBondContact OD2-NE 3.2Å; D211-R213 IonicContact OD2-NH2 3.54Å; D211-R213 PolarHBondContact OD2-NH2 2.95Å; R213-M234 PolarHBondContact NH1-O 2.88Å; R213-E235 IonicContact NH1-OE2 3.68Å
214H96.6Very high78.6Confident6 Ų662.9 Ų62.93%0.02840%0.398CS..SBendtrans-136.6157.7-174.5-53.7-67.4000111.1K101 R102 S104 E212 L218 M219 M236K101-H214 PolarHBondContact O-CE1 2.78Å; R102-H214 PolarHBondContact O-CE1 3.44Å; R102-H214 PolarHBondContact O-NE2 2.66Å; S104-H214 PolarHBondContact OG-ND1 2.98Å; E212-H214 PolarHBondContact O-N 3.07Å; H214-L218 HydrophobicContact CB-CD2 4.28Å; H214-M219 HydrophobicContact CB-CG 4.02Å; H214-M219 HydrophobicContact CB-SD 3.98Å; H214-M236 WeakPolarHBondContact CD2-CE 3.47Å; H214-M236 WeakPolarHBondContact CE1-CE 3.33Å; H214-M236 WeakPolarHBondContact ND1-CE 3.44Å; H214-M236 WeakPolarHBondContact NE2-CE 3.31Å
215H95.9Very high80.6Confident5 Ų561 Ų612%0.02338%0.377CS..  trans-65.9144.1170.7-82.6-56.5000111.2R106 S107 H112 Q113 V217 L218 M219R106-H215 PolarHBondContact O-NE2 2.92Å; S107-H215 PolarHBondContact OG-CE1 2.77Å; S107-H215 PolarHBondContact OG-NE2 3.18Å; H112-H215 AromaticContact CG-CE1 3.96Å; H112-H215 AromaticContact CG-NE2 3.99Å; H112-H215 AromaticContact ND1-CE1 3.47Å; H112-H215 PolarHBondContact ND1-CE1 2.87Å; H112-H215 AromaticContact ND1-ND1 3.99Å; H112-H215 AromaticContact ND1-NE2 3.75Å; Q113-H215 PolarHBondContact O-CD2 3.17Å; Q113-H215 VanDerWaalsContact O-CD2 3.31Å; H215-V217 HydrophobicContact CB-CG1 4.18Å; H215-V217 PolarHBondContact O-N 3.44Å; H215-L218 WeakPolarHBondContact O-CB 3.26Å; H215-L218 PolarHBondContact O-N 3.04Å; H215-M219 PolarHBondContact O-N 2.68Å
216S93.6Very high82.5Confident53 Ų5360.2 Ų60.237%0.37136%0.36SS..Hα-helixtrans-59.8-35.7-174.394.10000112.1E195 K199 L218 M219 S220E195-S216 PolarHBondContact OE1-OG 2.9Å; K199-S216 PolarHBondContact NZ-OG 2.84Å; S216-L218 PolarHBondContact O-N 2.7Å; S216-M219 PolarHBondContact O-N 2.97Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.4Å; S216-S220 PolarHBondContact O-OG 2.82Å
217V95.8Very high84.8Confident42 Ų4258.6 Ų58.626%0.25536%0.362SS..Hα-helixtrans-62.7-37.1176.863.50000112.9L189 A190 H215 L221L189-V217 HydrophobicContact CD2-CG1 3.77Å; L189-V217 HydrophobicContact CG-CG1 4.2Å; A190-V217 HydrophobicContact CB-CG1 4.21Å; H215-V217 HydrophobicContact CB-CG1 4.18Å; H215-V217 PolarHBondContact O-N 3.44Å; V217-L221 WeakPolarHBondContact O-CB 3.26Å; V217-L221 PolarHBondContact O-N 3.48Å
218L97.1Very high87.2Confident1 Ų151.5 Ų51.51%0.00533%0.325CS..Hα-helixtrans-65-48.6174.8175.657.6000110.3V114 L134 L189 H214 H215 S216 S220 L221 L222 M236V114-L218 HydrophobicContact CG1-CD2 4.41Å; V114-L218 HydrophobicContact CG2-CD2 4.34Å; L134-L218 HydrophobicContact CD1-CD1 3.47Å; L134-L218 VanDerWaalsContact CD1-CD1 3.47Å; L189-L218 HydrophobicContact CD2-CB 3.81Å; H214-L218 HydrophobicContact CB-CD2 4.28Å; H215-L218 WeakPolarHBondContact O-CB 3.26Å; H215-L218 PolarHBondContact O-N 3.04Å; S216-L218 PolarHBondContact O-N 2.7Å; L218-S220 VanDerWaalsContact C-N 3.34Å; L218-S220 PolarHBondContact O-N 3.14Å; L218-L221 PolarHBondContact O-N 3.34Å; L218-L222 HydrophobicContact CD1-CD1 4.26Å; L218-L222 HydrophobicContact CD1-CG 4.33Å; L218-L222 HydrophobicContact CG-CD1 4.32Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 2.95Å; L218-L222 VanDerWaalsContact O-N 3.1Å; L218-M236 HydrophobicContact CD2-CE 4.44Å
219M95.8Very high89.3Confident12 Ų1250.2 Ų50.26%0.05930%0.303CS..Hα-helixtrans-62.8-42.5179.1-63.7-53.7-66.800111.6H214 H215 S216 L221 L222 C223 I233 M236H214-M219 HydrophobicContact CB-CG 4.02Å; H214-M219 HydrophobicContact CB-SD 3.98Å; H215-M219 PolarHBondContact O-N 2.68Å; S216-M219 PolarHBondContact O-N 2.97Å; M219-L221 VanDerWaalsContact C-N 3.3Å; M219-L221 PolarHBondContact O-N 2.91Å; M219-L222 PolarHBondContact O-N 3.25Å; M219-C223 VanDerWaalsContact O-CB 3.22Å; M219-C223 WeakPolarHBondContact O-CB 3.43Å; M219-C223 PolarHBondContact O-N 3.16Å; M219-C223 PolarHBondContact O-SG 3.28Å; M219-I233 HydrophobicContact CE-CB 4.32Å; M219-I233 HydrophobicContact CE-CD1 3.94Å; M219-I233 HydrophobicContact CE-CG2 4.37Å; M219-M236 HydrophobicContact SD-CE 4.34Å
220S94.3Very high91.1Very high43 Ų4350 Ų5030%0.30130%0.296SS..Hα-helixtrans-59.6-41.8177.5-55.30000111.4K199 S216 L218 T224K199-S220 PolarHBondContact NZ-OG 2.62Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.4Å; S216-S220 PolarHBondContact O-OG 2.82Å; L218-S220 VanDerWaalsContact C-N 3.34Å; L218-S220 PolarHBondContact O-N 3.14Å; S220-T224 VanDerWaalsContact O-CB 3.28Å; S220-T224 WeakPolarHBondContact O-CB 3.46Å; S220-T224 PolarHBondContact O-N 2.97Å; S220-T224 PolarHBondContact O-OG1 2.97Å
221L96.1Very high92.5Very high33 Ų3351.9 Ų51.917%0.17330%0.302CS..Hα-helixtrans-65.3-46179.3-172.363.5000112.1I155 R157 I159 V217 L218 M219 H225I155-L221 HydrophobicContact CD1-CG 4.06Å; I155-L221 HydrophobicContact CG1-CD2 4.19Å; I155-L221 HydrophobicContact CG1-CG 4.27Å; I155-L221 HydrophobicContact CG2-CD2 4.18Å; R157-L221 VanDerWaalsContact NH2-CD1 3.27Å; I159-L221 HydrophobicContact CD1-CD2 3.65Å; I159-L221 HydrophobicContact CG2-CD2 4.11Å; V217-L221 WeakPolarHBondContact O-CB 3.26Å; V217-L221 PolarHBondContact O-N 3.48Å; L218-L221 PolarHBondContact O-N 3.34Å; M219-L221 VanDerWaalsContact C-N 3.3Å; M219-L221 PolarHBondContact O-N 2.91Å; L221-H225 WeakPolarHBondContact O-CB 3.48Å; L221-H225 PolarHBondContact O-N 3.38Å
222L96.9Very high93.5Very high1 Ų149.3 Ų49.31%0.00529%0.289CS..Hα-helixtrans-63.8-45.9176.4-64.2173.5000111.5V153 L218 M219 T224 H225 L226 I233 M236 L238V153-L222 HydrophobicContact CG1-CD2 4.2Å; V153-L222 HydrophobicContact CG2-CD2 3.82Å; L218-L222 HydrophobicContact CD1-CD1 4.26Å; L218-L222 HydrophobicContact CD1-CG 4.33Å; L218-L222 HydrophobicContact CG-CD1 4.32Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 2.95Å; L218-L222 VanDerWaalsContact O-N 3.1Å; M219-L222 PolarHBondContact O-N 3.25Å; L222-T224 PolarHBondContact O-N 2.84Å; L222-H225 PolarHBondContact O-N 3Å; L222-L226 WeakPolarHBondContact O-CB 3.22Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.43Å; L222-L226 PolarHBondContact O-N 3.09Å; L222-I233 HydrophobicContact CB-CD1 4.43Å; L222-M236 HydrophobicContact CD1-SD 3.59Å; L222-M236 VanDerWaalsContact CD1-SD 3.59Å; L222-L238 HydrophobicContact CD1-CD1 3.92Å; L222-L238 HydrophobicContact CD2-CD1 4.02Å
223C94.4Very high93.9Very high8 Ų843.4 Ų43.45%0.05426%0.262CS..Hα-helixtrans-61.3-44.6178.9-72.80000111.9M219 L226 G227 L228 P230M219-C223 VanDerWaalsContact O-CB 3.22Å; M219-C223 WeakPolarHBondContact O-CB 3.43Å; M219-C223 PolarHBondContact O-N 3.16Å; M219-C223 PolarHBondContact O-SG 3.28Å; C223-L226 PolarHBondContact O-N 3.48Å; C223-G227 WeakPolarHBondContact O-CA 3.4Å; C223-G227 PolarHBondContact O-N 3.48Å; C223-L228 WeakPolarHBondContact CB-O 3.41Å; C223-L228 PolarHBondContact O-N 3.29Å; C223-P230 VanDerWaalsContact SG-CA 3.54Å; C223-P230 VanDerWaalsContact SG-N 3.42Å
224T94.8Very high93.9Very high116 Ų11644.7 Ų44.771%0.71227%0.271SS*.Hα-helixtrans-62.8-44.7177.3-59.60000111.1S220 L222 L226 G227S220-T224 VanDerWaalsContact O-CB 3.28Å; S220-T224 WeakPolarHBondContact O-CB 3.46Å; S220-T224 PolarHBondContact O-N 2.97Å; S220-T224 PolarHBondContact O-OG1 2.97Å; L222-T224 PolarHBondContact O-N 2.84Å; T224-L226 VanDerWaalsContact C-N 3.26Å; T224-L226 PolarHBondContact O-N 3.32Å; T224-G227 PolarHBondContact O-N 2.76Å
225H95.1Very high94Very high95 Ų9547.1 Ų47.144%0.4428%0.283SS..Hα-helixtrans-63.7-33178.8-171.292.8000112.6V153 H154 I155 L221 L222V153-H225 HydrophobicContact CG2-CB 4.45Å; H154-H225 PolarHBondContact O-CE1 3.2Å; H154-H225 PolarHBondContact O-NE2 3.1Å; I155-H225 HydrophobicContact CD1-CB 3.8Å; L221-H225 WeakPolarHBondContact O-CB 3.48Å; L221-H225 PolarHBondContact O-N 3.38Å; L222-H225 PolarHBondContact O-N 3Å
226L94.4Very high94.1Very high39 Ų3947.4 Ų47.420%0.20428%0.284CS..Hα-helixtrans-94.9-10.5-177.1-65.1171.2000114V138 R151 V153 L222 C223 T224 L228V138-L226 HydrophobicContact CB-CD1 4.43Å; V138-L226 HydrophobicContact CG1-CD1 4.18Å; V138-L226 HydrophobicContact CG2-CD1 3.43Å; V138-L226 VanDerWaalsContact CG2-CD1 3.43Å; R151-L226 HydrophobicContact CB-CD2 3.96Å; V153-L226 HydrophobicContact CB-CD2 4.29Å; L222-L226 WeakPolarHBondContact O-CB 3.22Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.43Å; L222-L226 PolarHBondContact O-N 3.09Å; C223-L226 PolarHBondContact O-N 3.48Å; T224-L226 VanDerWaalsContact C-N 3.26Å; T224-L226 PolarHBondContact O-N 3.32Å; L226-L228 HydrophobicContact CB-CB 4.36Å; L226-L228 HydrophobicContact CB-CD1 3.85Å; L226-L228 HydrophobicContact CB-CG 3.95Å; L226-L228 HydrophobicContact CD1-CD1 4.28Å
227G94.5Very high94.3Very high69 Ų6946.6 Ų46.671%0.71127%0.274SS*.THydrogen-bonded Turntrans63.538.8-171.900000113.1C223 T224C223-G227 WeakPolarHBondContact O-CA 3.4Å; C223-G227 PolarHBondContact O-N 3.48Å; T224-G227 PolarHBondContact O-N 2.76Å
228L91.5Very high94.5Very high41 Ų4144.6 Ų44.622%0.21526%0.263CS..  trans-124162.6-175.2-64.4176.6000112I140 C223 L226I140-L228 HydrophobicContact CB-CD1 4.3Å; I140-L228 HydrophobicContact CD1-CD1 3.85Å; I140-L228 HydrophobicContact CG2-CD1 3.63Å; C223-L228 WeakPolarHBondContact CB-O 3.41Å; C223-L228 PolarHBondContact O-N 3.29Å; L226-L228 HydrophobicContact CB-CB 4.36Å; L226-L228 HydrophobicContact CB-CD1 3.85Å; L226-L228 HydrophobicContact CB-CG 3.95Å; L226-L228 HydrophobicContact CD1-CD1 4.28Å
229S89Confident94.6Very high53 Ų5344.8 Ų44.837%0.37126%0.264SS..  trans-85.1153.9166.666.90000111.3D231 S232S229-D231 PolarHBondContact O-N 3.3Å; S229-S232 VanDerWaalsContact O-CB 3.28Å; S229-S232 WeakPolarHBondContact O-CB 3.46Å; S229-S232 PolarHBondContact O-N 3.4Å; S229-S232 PolarHBondContact O-OG 2.96Å; S229-S232 PolarHBondContact OG-OG 3.12Å
230P87.4Confident94.7Very high68 Ų6844.3 Ų44.344%0.44226%0.262SS..G310 helixtrans-54-39.4175-27.235.1000113.4C223 S232 I233C223-P230 VanDerWaalsContact SG-CA 3.54Å; C223-P230 VanDerWaalsContact SG-N 3.42Å; P230-S232 PolarHBondContact O-N 3.3Å; P230-S232 VanDerWaalsContact O-N 3.11Å; P230-I233 PolarHBondContact O-N 3.35Å
231D88.2Confident94.9Very high143 Ų14342.4 Ų42.477%0.76525%0.248SC*.G310 helixtrans-63.9-17.5179.7-55.8-29.6000113.6S229 I233S229-D231 PolarHBondContact O-N 3.3Å; D231-I233 VanDerWaalsContact C-N 3.34Å
232S91.9Very high95.1Very high10 Ų1042.5 Ų42.57%0.0725%0.249CC..G310 helixtrans-78.4-20.4176.9-56.30000112.4I140 K141 S229 P230I140-S232 CarbonylContact C-O 3.58Å; I140-S232 WeakPolarHBondContact CA-O 3.12Å; I140-S232 WeakPolarHBondContact CB-O 3.36Å; K141-S232 PolarHBondContact N-O 2.99Å; S229-S232 VanDerWaalsContact O-CB 3.28Å; S229-S232 WeakPolarHBondContact O-CB 3.46Å; S229-S232 PolarHBondContact O-N 3.4Å; S229-S232 PolarHBondContact O-OG 2.96Å; S229-S232 PolarHBondContact OG-OG 3.12Å; P230-S232 PolarHBondContact O-N 3.3Å; P230-S232 VanDerWaalsContact O-N 3.11Å
233I94Very high95.2Very high9 Ų944.6 Ų44.65%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-86.9112.5-177-60.5177.1000109.4I140 M219 L222 P230 D231I140-I233 HydrophobicContact CG2-CG1 4.45Å; M219-I233 HydrophobicContact CE-CB 4.32Å; M219-I233 HydrophobicContact CE-CD1 3.94Å; M219-I233 HydrophobicContact CE-CG2 4.37Å; L222-I233 HydrophobicContact CB-CD1 4.43Å; P230-I233 PolarHBondContact O-N 3.35Å; D231-I233 VanDerWaalsContact C-N 3.34Å
234M95.4Very high95.4Very high92 Ų9249.7 Ų49.745%0.45329%0.285SS..EExtended strand (participates in β ladder)trans-82.7-48.4179.4-57.3-63.4-69.900111.1I139 K141 L148 R213I139-M234 WeakPolarHBondContact O-CB 3.3Å; I139-M234 PolarHBondContact O-N 3.01Å; K141-M234 HydrophobicContact CB-CG 4.07Å; K141-M234 HydrophobicContact CB-SD 3.89Å; L148-M234 HydrophobicContact CD2-CG 4.06Å; R213-M234 PolarHBondContact NH1-O 2.88Å
235E97.2Very high95.6Very high57 Ų5748 Ų4827%0.26628%0.275SS..EExtended strand (participates in β ladder)trans-158.5161-179-17150.8-95.900110.5R102 I139 R213R102-E235 VanDerWaalsContact CD-OE1 3.22Å; R102-E235 WeakPolarHBondContact CD-OE1 3.27Å; R102-E235 VanDerWaalsContact CD-OE2 3.3Å; R102-E235 WeakPolarHBondContact CD-OE2 3.19Å; R102-E235 IonicContact NE-OE1 3.16Å; R102-E235 IonicContact NE-OE2 2.82Å; I139-E235 PolarHBondContact N-O 2.92Å; I139-E235 PolarHBondContact O-N 2.88Å; R213-E235 IonicContact NH1-OE2 3.68Å
236M98.1Very high95.7Very high10 Ų1043.7 Ų43.75%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-141.1152.6179.960175.3171.700113.9V100 R102 R137 V138 H214 L218 M219 L222 L238V100-M236 HydrophobicContact CG1-CE 4.45Å; R102-M236 PolarHBondContact NH1-O 2.79Å; R137-M236 WeakPolarHBondContact O-CA 3.48Å; V138-M236 HydrophobicContact CG1-CB 3.94Å; H214-M236 WeakPolarHBondContact CD2-CE 3.47Å; H214-M236 WeakPolarHBondContact CE1-CE 3.33Å; H214-M236 WeakPolarHBondContact ND1-CE 3.44Å; H214-M236 WeakPolarHBondContact NE2-CE 3.31Å; L218-M236 HydrophobicContact CD2-CE 4.44Å; M219-M236 HydrophobicContact SD-CE 4.34Å; L222-M236 HydrophobicContact CD1-SD 3.59Å; L222-M236 VanDerWaalsContact CD1-SD 3.59Å; M236-L238 HydrophobicContact CB-CG 4.31Å; M236-L238 HydrophobicContact CG-CD1 4.48Å; M236-L238 HydrophobicContact CG-CG 4.44Å; M236-L238 HydrophobicContact SD-CD1 3.49Å; M236-L238 WeakPolarHBondContact SD-CD1 3.22Å; M236-L238 HydrophobicContact SD-CG 4.06Å
237E98.8Very high95.9Very high36 Ų3645 Ų4517%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-131.4101.9171.7-77.6-179.883.800108.9F30 R99 G136 R137F30-E237 HydrophobicContact CE2-CB 3.99Å; F30-E237 HydrophobicContact CZ-CB 4.09Å; R99-E237 IonicContact CZ-OE1 3.07Å; R99-E237 IonicContact NH2-OE1 3.6Å; R99-E237 PolarHBondContact NH2-OE1 2.95Å; G136-E237 CarbonylContact C-O 3.23Å; G136-E237 VanDerWaalsContact CA-O 3.23Å; G136-E237 WeakPolarHBondContact CA-O 3.28Å; R137-E237 HydrophobicContact CG-CB 4.03Å; R137-E237 IonicContact CZ-OE2 2.99Å; R137-E237 PolarHBondContact N-O 2.93Å; R137-E237 IonicContact NE-OE2 3.42Å; R137-E237 PolarHBondContact NE-OE2 2.83Å; R137-E237 IonicContact NH2-OE2 3.82Å; R137-E237 PolarHBondContact NH2-OE2 2.68Å; R137-E237 PolarHBondContact O-N 2.92Å
238L98.9Very high96.1Very high1 Ų142.7 Ų42.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-117.9126.6-175.2-55-179.4000110.3R99 V100 L134 V153 L222 M236R99-L238 CarbonylContact C-O 3.53Å; R99-L238 VanDerWaalsContact CA-O 3.26Å; R99-L238 WeakPolarHBondContact CA-O 3.29Å; V100-L238 HydrophobicContact CB-CB 4.2Å; V100-L238 HydrophobicContact CG2-CB 3.84Å; V100-L238 HydrophobicContact CG2-CD1 4.46Å; V100-L238 PolarHBondContact N-O 2.84Å; L134-L238 HydrophobicContact CD1-CD1 4.08Å; L134-L238 HydrophobicContact CD2-CB 4.3Å; V153-L238 HydrophobicContact CG1-CD2 3.57Å; L222-L238 HydrophobicContact CD1-CD1 3.92Å; L222-L238 HydrophobicContact CD2-CD1 4.02Å; M236-L238 HydrophobicContact CB-CG 4.31Å; M236-L238 HydrophobicContact CG-CD1 4.48Å; M236-L238 HydrophobicContact CG-CG 4.44Å; M236-L238 HydrophobicContact SD-CD1 3.49Å; M236-L238 WeakPolarHBondContact SD-CD1 3.22Å; M236-L238 HydrophobicContact SD-CG 4.06Å
239C98.9Very high96.5Very high4 Ų441.2 Ų41.23%0.02723%0.232CC..EExtended strand (participates in β ladder)trans-90.4142167.7-63.40000108.7L134 A135L134-C239 WeakPolarHBondContact CA-O 3.15Å; A135-C239 PolarHBondContact N-O 2.8Å; A135-C239 PolarHBondContact O-N 2.89Å
240L98.9Very high96.9Very high3 Ų340.6 Ų40.62%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-76.5142.6161.6-77.269.9000108.5L98 V100 V116 W127 L132 T133 L134 L160 P187L98-L240 HydrophobicContact CB-CB 4.2Å; L98-L240 HydrophobicContact CB-CD1 4.26Å; L98-L240 HydrophobicContact CB-CD2 4.14Å; L98-L240 HydrophobicContact CB-CG 4.43Å; L98-L240 HydrophobicContact CD1-CD2 4.42Å; L98-L240 PolarHBondContact O-N 2.86Å; V100-L240 HydrophobicContact CG2-CD1 4.01Å; V116-L240 HydrophobicContact CG1-CD1 3.68Å; V116-L240 HydrophobicContact CG1-CD2 4.05Å; W127-L240 WeakPolarHBondContact CH2-O 2.98Å; W127-L240 HydrophobicContact CZ3-CB 3.72Å; L132-L240 HydrophobicContact CD1-CD2 4.13Å; T133-L240 CarbonylContact O-C 3.5Å; T133-L240 WeakPolarHBondContact O-CA 3.35Å; L134-L240 HydrophobicContact CD2-CD1 3.59Å; L134-L240 HydrophobicContact CD2-CG 3.84Å; L160-L240 HydrophobicContact CD1-CD2 4.08Å; L160-L240 HydrophobicContact CD1-CG 3.96Å; P187-L240 HydrophobicContact CG-CD2 4.11Å
241A98.9Very high97.5Very high2 Ų241.8 Ų41.82%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-138.5145.7177.300000110.6P27 L132 T133P27-A241 HydrophobicContact CB-CB 3.86Å; L132-A241 CarbonylContact C-O 3.55Å; L132-A241 WeakPolarHBondContact CA-O 3.38Å; T133-A241 HydrophobicContact CG2-CB 4.46Å; T133-A241 PolarHBondContact N-O 3.34Å; T133-A241 PolarHBondContact O-N 3.02Å
242D98.9Very high97.9Very high36 Ų3643 Ų4319%0.19324%0.244CC..EExtended strand (participates in β ladder)trans-65.7136.6168.3-164.8-12.3000109.5R130 Q244R130-D242 IonicContact CZ-OD2 3.45Å; R130-D242 IonicContact NE-OD2 3.47Å; R130-D242 IonicContact NH1-OD2 2.64Å; R130-D242 PolarHBondContact NH1-OD2 3.06Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.25Å; D242-Q244 PolarHBondContact OD1-N 2.85Å
243T98.9Very high98.2Very high44 Ų4446.8 Ų46.827%0.2726%0.261SS..  trans-85.4-13.8175.757.10000112.7D131 T133 P158 P245D131-T243 WeakPolarHBondContact CB-OG1 3.4Å; D131-T243 WeakPolarHBondContact O-CB 3.48Å; D131-T243 PolarHBondContact O-N 3.08Å; D131-T243 PolarHBondContact O-OG1 2.92Å; T133-T243 HydrophobicContact CG2-CG2 3.58Å; P158-T243 HydrophobicContact CB-CG2 4.26Å; T243-P245 VanDerWaalsContact O-CD 3.23Å; T243-P245 WeakPolarHBondContact O-CD 3.48Å
244Q98.9Very high98.4Very high116 Ų11651.5 Ų51.554%0.54228%0.283SS..SBendtrans-62.2117.9173.5-172.5175.928.100110.2D242D242-Q244 WeakPolarHBondContact OD1-CB 3.25Å; D242-Q244 PolarHBondContact OD1-N 2.85Å
245P98.8Very high98.6Very high79 Ų7952.3 Ų52.351%0.51328%0.284SS..PPolyproline II helixtrans-64.6146.9-179.9-22.234.3000112.2T243T243-P245 VanDerWaalsContact O-CD 3.23Å; T243-P245 WeakPolarHBondContact O-CD 3.48Å
246A98.8Very high98.7Very high5 Ų552 Ų524%0.04128%0.284CS..PPolyproline II helixtrans-61.1132.616600000110.5L20 V23 N24 F257 A258L20-A246 HydrophobicContact CB-CB 4.34Å; L20-A246 HydrophobicContact CD2-CB 3.85Å; V23-A246 HydrophobicContact CB-CB 4.48Å; V23-A246 HydrophobicContact CG1-CB 4.2Å; N24-A246 PolarHBondContact ND2-O 3.25Å; N24-A246 VanDerWaalsContact OD1-CB 3.25Å; N24-A246 WeakPolarHBondContact OD1-CB 3.41Å; N24-A246 PolarHBondContact OD1-N 3.03Å; A246-F257 VanDerWaalsContact CA-O 3.3Å; A246-F257 WeakPolarHBondContact CA-O 3.23Å; A246-A258 HydrophobicContact CB-CB 3.46Å; A246-A258 VanDerWaalsContact CB-CB 3.46Å
247V98.9Very high98.7Very high66 Ų6657.1 Ų57.140%0.431%0.306SS..EExtended strand (participates in β ladder)trans-137.8164.8-175.8-64.90000112F257V247-F257 HydrophobicContact CG2-CB 4.18Å; V247-F257 HydrophobicContact CG2-CD2 4.44Å; V247-F257 PolarHBondContact N-O 2.88Å; V247-F257 PolarHBondContact O-N 3.17Å
248L98.8Very high98.7Very high21 Ų2156.7 Ų56.711%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-85.5149.7161.3-58.9-177.6000110A16 R17 L20 E253 F255 I256A16-L248 HydrophobicContact CB-CD2 3.94Å; R17-L248 HydrophobicContact CG-CD1 4.07Å; L20-L248 HydrophobicContact CD1-CD2 4.12Å; L20-L248 HydrophobicContact CD1-CG 3.96Å; L248-E253 HydrophobicContact CB-CB 4Å; L248-E253 HydrophobicContact CD1-CB 4.39Å; L248-F255 CarbonylContact C-O 3.01Å; L248-F255 VanDerWaalsContact CA-O 3.24Å; L248-F255 WeakPolarHBondContact CA-O 3.13Å; L248-I256 HydrophobicContact CD2-CG1 3.6Å
249G98.6Very high98.7Very high11 Ų1158.3 Ų58.311%0.11332%0.319CS..EExtended strand (participates in β ladder)trans-154.1-175.7-179.200000113.5E253 E254 F255G249-E253 CarbonylContact O-C 3.45Å; G249-E253 VanDerWaalsContact O-CA 3.23Å; G249-E253 WeakPolarHBondContact O-CA 3.4Å; G249-E254 PolarHBondContact O-N 3.38Å; G249-E254 VanDerWaalsContact O-N 3.1Å; G249-F255 PolarHBondContact N-O 2.62Å; G249-F255 PolarHBondContact O-N 2.58Å
250G98.4Very high98.7Very high39 Ų3960.4 Ų60.440%0.40233%0.327SS..SBendtrans84.8168.9-169.200000112.6Y252 E253G250-Y252 PolarHBondContact O-N 3.07Å; G250-Y252 VanDerWaalsContact O-N 3.12Å; G250-E253 PolarHBondContact O-N 2.97Å
251A98.3Very high98.7Very high93 Ų9363 Ų6377%0.76934%0.34SS*.THydrogen-bonded Turntrans-58.1-29.2-174.900000113.1
252Y97.9Very high98.6Very high168 Ų16867.7 Ų67.766%0.65937%0.365SS*.THydrogen-bonded Turntrans-116.316.8-178.3-54.2-58.6000114.3G250 E254G250-Y252 PolarHBondContact O-N 3.07Å; G250-Y252 VanDerWaalsContact O-N 3.12Å; Y252-E254 VanDerWaalsContact CD2-OE1 3.22Å; Y252-E254 WeakPolarHBondContact CD2-OE1 3.33Å; Y252-E254 PolarHBondContact O-N 3.07Å
253E98.2Very high98.6Very high90 Ų9067.4 Ų67.442%0.42136%0.364SS..SBendtrans53.537.2-171-60.1-169.4127.100112.2Q13 R17 L248 G249 G250Q13-E253 PolarHBondContact NE2-O 3.5Å; R17-E253 IonicContact NH2-OE1 2.99Å; R17-E253 IonicContact NH2-OE2 3.52Å; R17-E253 PolarHBondContact NH2-OE2 3.28Å; L248-E253 HydrophobicContact CB-CB 4Å; L248-E253 HydrophobicContact CD1-CB 4.39Å; G249-E253 CarbonylContact O-C 3.45Å; G249-E253 VanDerWaalsContact O-CA 3.23Å; G249-E253 WeakPolarHBondContact O-CA 3.4Å; G250-E253 PolarHBondContact O-N 2.97Å
254E98Very high98.6Very high109 Ų10965.3 Ų65.351%0.50935%0.351SS..  trans-91.1-13.1-174.272.2-154.897.300113.5G249 Y252G249-E254 PolarHBondContact O-N 3.38Å; G249-E254 VanDerWaalsContact O-N 3.1Å; Y252-E254 VanDerWaalsContact CD2-OE1 3.22Å; Y252-E254 WeakPolarHBondContact CD2-OE1 3.33Å; Y252-E254 PolarHBondContact O-N 3.07Å
255F98.8Very high98.6Very high109 Ų10963.8 Ų63.848%0.47834%0.343SS..EExtended strand (participates in β ladder)trans-106151.6177.9-55.5-52.8000111.7L248 G249 F257L248-F255 CarbonylContact C-O 3.01Å; L248-F255 VanDerWaalsContact CA-O 3.24Å; L248-F255 WeakPolarHBondContact CA-O 3.13Å; G249-F255 PolarHBondContact N-O 2.62Å; G249-F255 PolarHBondContact O-N 2.58Å; F255-F257 HydrophobicContact CB-CD1 4.22Å; F255-F257 HydrophobicContact CB-CE1 3.6Å; F255-F257 HydrophobicContact CB-CZ 4.13Å; F255-F257 HydrophobicContact CD2-CE1 4.36Å; F255-F257 HydrophobicContact CD2-CZ 4.36Å; F255-F257 HydrophobicContact CG-CE1 4.29Å
256I98.9Very high98.6Very high51 Ų5162.1 Ų62.126%0.26233%0.334SS..EExtended strand (participates in β ladder)trans-104.1121.5167.6-68.3156.8000108.1A16 L19 L20 L248 A258 L261A16-I256 HydrophobicContact CB-CD1 4.14Å; A16-I256 HydrophobicContact CB-CG1 4.44Å; L19-I256 HydrophobicContact CD2-CD1 4.01Å; L20-I256 HydrophobicContact CD2-CG1 4.38Å; L20-I256 HydrophobicContact CD2-CG2 3.6Å; L248-I256 HydrophobicContact CD2-CG1 3.6Å; I256-A258 HydrophobicContact CG2-CB 3.69Å; I256-L261 HydrophobicContact CG2-CD1 4.15Å; I256-L261 HydrophobicContact CG2-CD2 3.94Å
257F98.9Very high98.6Very high116 Ų11662.6 Ų62.651%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-104.3104.9170.4-57.1-26.6000108A246 V247 F255A246-F257 VanDerWaalsContact CA-O 3.3Å; A246-F257 WeakPolarHBondContact CA-O 3.23Å; V247-F257 HydrophobicContact CG2-CB 4.18Å; V247-F257 HydrophobicContact CG2-CD2 4.44Å; V247-F257 PolarHBondContact N-O 2.88Å; V247-F257 PolarHBondContact O-N 3.17Å; F255-F257 HydrophobicContact CB-CD1 4.22Å; F255-F257 HydrophobicContact CB-CE1 3.6Å; F255-F257 HydrophobicContact CB-CZ 4.13Å; F255-F257 HydrophobicContact CD2-CE1 4.36Å; F255-F257 HydrophobicContact CD2-CZ 4.36Å; F255-F257 HydrophobicContact CG-CE1 4.29Å
258A98.8Very high98.6Very high27 Ų2760.8 Ų60.822%0.22332%0.323CS..  trans-151.7145.4-172.100000111.5V23 A246 I256 L261V23-A258 HydrophobicContact CG1-CB 4.27Å; A246-A258 HydrophobicContact CB-CB 3.46Å; A246-A258 VanDerWaalsContact CB-CB 3.46Å; I256-A258 HydrophobicContact CG2-CB 3.69Å; A258-L261 HydrophobicContact CB-CD1 4.36Å; A258-L261 HydrophobicContact CB-CD2 3.85Å; A258-L261 HydrophobicContact CB-CG 3.92Å
259P98.7Very high98.6Very high36 Ų3663.4 Ų63.423%0.23434%0.343CS..THydrogen-bonded Turntrans-70.2159.4166.634.3-37.1000109.9V23 L261V23-P259 HydrophobicContact CG1-CG 4.12Å; V23-P259 WeakPolarHBondContact CG1-O 3.46Å; P259-L261 PolarHBondContact O-N 3.02Å
260R98.8Very high98.6Very high48 Ų4864.9 Ų64.918%0.18135%0.354CS..THydrogen-bonded Turntrans60.618.7166.4-53.5176.2-66.4-77.3-1.9115.6V23 S26 S95 D262 L264V23-R260 PolarHBondContact O-NH2 3.3Å; S26-R260 PolarHBondContact O-NE 3.47Å; S95-R260 VanDerWaalsContact OG-CB 3.3Å; S95-R260 WeakPolarHBondContact OG-CB 3.15Å; R260-D262 CarbonylContact C-O 3.56Å; R260-D262 CarbonylContact O-C 3.51Å; R260-D262 PolarHBondContact O-N 3.09Å; R260-L264 HydrophobicContact CB-CD1 3.73Å; R260-L264 HydrophobicContact CB-CG 3.98Å; R260-L264 WeakPolarHBondContact O-CB 3.33Å; R260-L264 VanDerWaalsContact O-CG 3.27Å; R260-L264 WeakPolarHBondContact O-CG 3.13Å; R260-L264 PolarHBondContact O-N 2.92Å; R260-L264 VanDerWaalsContact O-N 3.09Å
261L98.8Very high98.6Very high56 Ų5667.5 Ų67.529%0.29336%0.358SS..Hα-helixtrans-54.1-42.5173.1-72.5179.6000111L19 I256 A258 P259 N263 L264 H265L19-L261 HydrophobicContact CD2-CD2 4.24Å; I256-L261 HydrophobicContact CG2-CD1 4.15Å; I256-L261 HydrophobicContact CG2-CD2 3.94Å; A258-L261 HydrophobicContact CB-CD1 4.36Å; A258-L261 HydrophobicContact CB-CD2 3.85Å; A258-L261 HydrophobicContact CB-CG 3.92Å; P259-L261 PolarHBondContact O-N 3.02Å; L261-N263 CarbonylContact O-C 3.54Å; L261-N263 VanDerWaalsContact O-C 3.23Å; L261-N263 WeakPolarHBondContact O-CA 3.28Å; L261-N263 PolarHBondContact O-N 3.25Å; L261-L264 PolarHBondContact O-N 2.91Å; L261-L264 VanDerWaalsContact O-N 3.1Å; L261-H265 VanDerWaalsContact O-CB 3.29Å; L261-H265 WeakPolarHBondContact O-CB 3.38Å; L261-H265 PolarHBondContact O-N 3.11Å
262D98.6Very high98.6Very high102 Ų10266.2 Ų66.255%0.54534%0.337SS..Hα-helixtrans-76.5103.9160.2-17717.7000109.8H92 S95 R260H92-D262 IonicContact CE1-OD1 3.59Å; H92-D262 IonicContact NE2-OD1 3.53Å; S95-D262 PolarHBondContact OG-O 3.3Å; R260-D262 CarbonylContact C-O 3.56Å; R260-D262 CarbonylContact O-C 3.51Å; R260-D262 PolarHBondContact O-N 3.09Å
263N98.6Very high98.6Very high30 Ų3060.8 Ų60.816%0.1632%0.32CS..Hα-helixcis-123.625.9-0.2-162.717.6000113.2H92 L261 H265 S266 C267H92-N263 PolarHBondContact CD2-ND2 2.83Å; H92-N263 VanDerWaalsContact CD2-ND2 3.3Å; H92-N263 WeakPolarHBondContact CE1-CB 3.03Å; H92-N263 WeakPolarHBondContact NE2-CB 3.18Å; H92-N263 PolarHBondContact NE2-ND2 3.19Å; L261-N263 CarbonylContact O-C 3.54Å; L261-N263 VanDerWaalsContact O-C 3.23Å; L261-N263 WeakPolarHBondContact O-CA 3.28Å; L261-N263 PolarHBondContact O-N 3.25Å; N263-H265 PolarHBondContact O-N 3.09Å; N263-S266 PolarHBondContact O-N 3.41Å; N263-S266 WeakPolarHBondContact OD1-CB 3.41Å; N263-S266 PolarHBondContact OD1-OG 2.99Å; N263-C267 PolarHBondContact O-N 2.63Å
264L98.8Very high98.7Very high0 Ų059.2 Ų59.20%032%0.315CS..Hα-helixtrans-65.3-21.6179.4-58.8-166.9000112.8F22 V23 V32 R260 L261 F268F22-L264 HydrophobicContact CD1-CB 4.4Å; F22-L264 HydrophobicContact CE1-CB 4.09Å; V23-L264 HydrophobicContact CG2-CB 4.26Å; V32-L264 HydrophobicContact CB-CD2 4.27Å; V32-L264 HydrophobicContact CG1-CD2 3.75Å; V32-L264 HydrophobicContact CG2-CD1 3.87Å; V32-L264 HydrophobicContact CG2-CD2 3.45Å; V32-L264 VanDerWaalsContact CG2-CD2 3.45Å; V32-L264 HydrophobicContact CG2-CG 4.32Å; R260-L264 HydrophobicContact CB-CD1 3.73Å; R260-L264 HydrophobicContact CB-CG 3.98Å; R260-L264 WeakPolarHBondContact O-CB 3.33Å; R260-L264 VanDerWaalsContact O-CG 3.27Å; R260-L264 WeakPolarHBondContact O-CG 3.13Å; R260-L264 PolarHBondContact O-N 2.92Å; R260-L264 VanDerWaalsContact O-N 3.09Å; L261-L264 PolarHBondContact O-N 2.91Å; L261-L264 VanDerWaalsContact O-N 3.1Å; L264-F268 WeakPolarHBondContact O-CB 3.19Å; L264-F268 PolarHBondContact O-N 3.09Å
265H98.9Very high98.7Very high84 Ų8456.3 Ų56.339%0.38930%0.303SS..Hα-helixtrans-57.2-52.5167.8-179.6-71.6000110.9L19 L261 N263 F268 C269L19-H265 HydrophobicContact CD2-CB 4.48Å; L261-H265 VanDerWaalsContact O-CB 3.29Å; L261-H265 WeakPolarHBondContact O-CB 3.38Å; L261-H265 PolarHBondContact O-N 3.11Å; N263-H265 PolarHBondContact O-N 3.09Å; H265-F268 PolarHBondContact O-N 2.94Å; H265-C269 VanDerWaalsContact CE1-SG 3.53Å; H265-C269 PolarHBondContact O-N 3.45Å; H265-C269 PolarHBondContact O-SG 3.06Å; H265-C269 VanDerWaalsContact O-SG 3.32Å
266S98.9Very high98.7Very high44 Ų4453 Ų5331%0.30829%0.292SS..Hα-helixtrans-70.1-34.9-179.8-54.20000112.1N263 F268 C269 A270N263-S266 PolarHBondContact O-N 3.41Å; N263-S266 WeakPolarHBondContact OD1-CB 3.41Å; N263-S266 PolarHBondContact OD1-OG 2.99Å; S266-F268 VanDerWaalsContact C-N 3.35Å; S266-F268 PolarHBondContact O-N 3.35Å; S266-C269 PolarHBondContact O-N 3.43Å; S266-A270 WeakPolarHBondContact O-CB 3.37Å; S266-A270 PolarHBondContact O-N 3.25Å
267C98.9Very high98.7Very high14 Ų1453.1 Ų53.110%0.09529%0.294CS..Hα-helixtrans-57.4-48.5171.8-670000111.6F22 H92 N263 A270 L271F22-C267 HydrophobicContact CE1-CB 4.25Å; F22-C267 HydrophobicContact CZ-CB 4.25Å; H92-C267 PolarHBondContact O-SG 3.47Å; N263-C267 PolarHBondContact O-N 2.63Å; C267-A270 PolarHBondContact O-N 2.61Å; C267-L271 VanDerWaalsContact O-CB 3.3Å; C267-L271 WeakPolarHBondContact O-CB 3.42Å; C267-L271 PolarHBondContact O-N 2.88Å; C267-L271 VanDerWaalsContact O-N 3.16Å
268F98.9Very high98.7Very high28 Ų2848.6 Ų48.612%0.12328%0.279CS..Hα-helixtrans-64.8-41178.9171.6-99.5000112.4T15 E18 L19 F22 L264 H265 S266T15-F268 HydrophobicContact CG2-CE1 4.22Å; E18-F268 HydrophobicContact CB-CE2 4.05Å; E18-F268 HydrophobicContact CB-CZ 3.65Å; L19-F268 HydrophobicContact CB-CD1 3.84Å; L19-F268 HydrophobicContact CB-CE1 3.88Å; L19-F268 HydrophobicContact CB-CG 4.33Å; L19-F268 HydrophobicContact CB-CZ 4.41Å; L19-F268 HydrophobicContact CD1-CB 3.66Å; L19-F268 HydrophobicContact CD1-CD1 3.84Å; L19-F268 HydrophobicContact CD1-CG 3.79Å; L19-F268 HydrophobicContact CG-CD1 4.36Å; F22-F268 HydrophobicContact CB-CD2 3.76Å; F22-F268 HydrophobicContact CB-CE2 4.38Å; F22-F268 HydrophobicContact CB-CG 4.42Å; F22-F268 HydrophobicContact CD1-CB 3.87Å; F22-F268 HydrophobicContact CD1-CD2 4.48Å; F22-F268 HydrophobicContact CD2-CD2 4.01Å; F22-F268 HydrophobicContact CE1-CB 4.15Å; F22-F268 HydrophobicContact CG-CB 4.08Å; F22-F268 AromaticContact CG-CD2 3.84Å; F22-F268 HydrophobicContact CG-CD2 3.84Å; F22-F268 HydrophobicContact CG-CG 4.36Å; L264-F268 WeakPolarHBondContact O-CB 3.19Å; L264-F268 PolarHBondContact O-N 3.09Å; H265-F268 PolarHBondContact O-N 2.94Å; S266-F268 VanDerWaalsContact C-N 3.35Å; S266-F268 PolarHBondContact O-N 3.35Å
269C98.8Very high98.6Very high77 Ų7750.3 Ų50.352%0.5228%0.283SS..Hα-helixtrans-73.6-28.3179.8-68.60000113.7H265 S266H265-C269 VanDerWaalsContact CE1-SG 3.53Å; H265-C269 PolarHBondContact O-N 3.45Å; H265-C269 PolarHBondContact O-SG 3.06Å; H265-C269 VanDerWaalsContact O-SG 3.32Å; S266-C269 PolarHBondContact O-N 3.43Å
270A98.6Very high98.6Very high42 Ų4251.5 Ų51.535%0.34729%0.287SS..Hα-helixtrans-80.1-29.8179.100000113I89 S266 C267I89-A270 HydrophobicContact CB-CB 4.23Å; I89-A270 HydrophobicContact CG2-CB 3.58Å; S266-A270 WeakPolarHBondContact O-CB 3.37Å; S266-A270 PolarHBondContact O-N 3.25Å; C267-A270 PolarHBondContact O-N 2.61Å
271L97.3Very high98.6Very high93 Ų9351.8 Ų51.849%0.48730%0.297SS..  trans-75.10-178.4-172.773.3000112.4F22 C36 R39 L40 C267F22-L271 HydrophobicContact CE2-CD2 4.46Å; C36-L271 HydrophobicContact CB-CD1 4.25Å; C36-L271 HydrophobicContact CB-CD2 3.93Å; R39-L271 HydrophobicContact CB-CD2 4.03Å; L40-L271 HydrophobicContact CD1-CD1 3.84Å; L40-L271 HydrophobicContact CD2-CD1 3.79Å; L40-L271 HydrophobicContact CG-CD1 3.73Å; C267-L271 VanDerWaalsContact O-CB 3.3Å; C267-L271 WeakPolarHBondContact O-CB 3.42Å; C267-L271 PolarHBondContact O-N 2.88Å; C267-L271 VanDerWaalsContact O-N 3.16Å

Retrieved 271 of 271 residues in 307.2 ms (Link to these results)

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