G4VQ91_SCHMA Loading...

Putative leucine rich repeat-containing

AlphaFold DB , UniProt , Accession G4VQ91, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 424 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
1M37.6Very low58.1Low192 Ų192118.7 Ų118.795%0.94660%0.601SS**  0122.30-80.9169.916200110.8
2K32.4Very low60.5Low207 Ų207110.9 Ų110.990%0.956%0.562SS**  trans-85.4146.2173.7-90.6175177172.80109.4N4K2-N4 PolarHBondContact O-N 3.4Å
3R36.6Very low62.7Low241 Ų241105.6 Ų105.691%0.90954%0.536SS*.  trans-48.5114.5175.6-64.5174.1-178.9175.1-1.9111.2
4N48.3Very low64.8Low74 Ų74103.9 Ų103.940%0.39652%0.524SS..  trans-66.6127.2153.2-92.7-27.9000106.7K2 S8K2-N4 PolarHBondContact O-N 3.4Å; N4-S8 VanDerWaalsContact CB-OG 3.24Å; N4-S8 WeakPolarHBondContact CB-OG 3.48Å; N4-S8 VanDerWaalsContact CG-OG 3.28Å; N4-S8 PolarHBondContact OD1-OG 3.41Å; N4-S8 VanDerWaalsContact OD1-OG 3.11Å
5S55.1Low66.8Low74 Ų7498.4 Ų98.452%0.51750%0.497SS..  trans-63.5148.4169.552.60000109A7 S8 T9S5-A7 PolarHBondContact O-N 3.09Å; S5-S8 PolarHBondContact N-OG 2.93Å; S5-S8 PolarHBondContact O-N 2.86Å; S5-S8 PolarHBondContact O-OG 2.93Å; S5-T9 PolarHBondContact O-N 3.41Å
6D62.9Low68.6Low135 Ų13592.3 Ų92.372%0.72247%0.467SS*.Hα-helixtrans-45.2-36.1178-56.1-20.3000113S8 T9 E10D6-S8 PolarHBondContact O-N 3.33Å; D6-T9 PolarHBondContact O-N 3.23Å; D6-E10 WeakPolarHBondContact O-CG 3.38Å; D6-E10 PolarHBondContact O-N 2.86Å
7A60.8Low70.2Confident69 Ų6992.6 Ų92.657%0.5746%0.464SS*.Hα-helixtrans-64.7-32.4177.200000115.8S5 L11S5-A7 PolarHBondContact O-N 3.09Å; A7-L11 WeakPolarHBondContact O-CB 3.08Å; A7-L11 PolarHBondContact O-N 3.39Å
8S71.9Confident71.7Confident31 Ų3191.6 Ų91.622%0.21746%0.457CS..Hα-helixtrans-78-34.5176.657.80000111.3N4 S5 D6 L11 N12N4-S8 VanDerWaalsContact CB-OG 3.24Å; N4-S8 WeakPolarHBondContact CB-OG 3.48Å; N4-S8 VanDerWaalsContact CG-OG 3.28Å; N4-S8 PolarHBondContact OD1-OG 3.41Å; N4-S8 VanDerWaalsContact OD1-OG 3.11Å; S5-S8 PolarHBondContact N-OG 2.93Å; S5-S8 PolarHBondContact O-N 2.86Å; S5-S8 PolarHBondContact O-OG 2.93Å; D6-S8 PolarHBondContact O-N 3.33Å; S8-L11 PolarHBondContact O-N 3.35Å; S8-N12 WeakPolarHBondContact O-CB 3.33Å; S8-N12 PolarHBondContact O-N 2.97Å; S8-N12 PolarHBondContact O-ND2 2.75Å; S8-N12 PolarHBondContact O-OD1 3.09Å
9T73.6Confident73.1Confident36 Ų3686.7 Ų86.722%0.22143%0.433CS..Hα-helixtrans-64.8-45.7173.4-55.20000111.4S5 D6 L11 N12 L13 L55S5-T9 PolarHBondContact O-N 3.41Å; D6-T9 PolarHBondContact O-N 3.23Å; T9-L11 PolarHBondContact O-N 3.37Å; T9-N12 PolarHBondContact O-N 2.9Å; T9-L13 PolarHBondContact O-N 3.25Å; T9-L55 HydrophobicContact CG2-CB 4.04Å; T9-L55 HydrophobicContact CG2-CD2 4.19Å; T9-L55 HydrophobicContact CG2-CG 4.38Å
10E77.9Confident74.3Confident144 Ų14482.8 Ų82.867%0.67342%0.415SS*.Hα-helixtrans-59.2-44.1175.6-75.4179.8179.800112.3D6 L13 E14D6-E10 WeakPolarHBondContact O-CG 3.38Å; D6-E10 PolarHBondContact O-N 2.86Å; E10-L13 PolarHBondContact O-N 2.95Å; E10-E14 PolarHBondContact O-N 3.46Å; E10-E14 VanDerWaalsContact O-N 3.09Å
11L82.1Confident75.4Confident103 Ų10381.9 Ų81.954%0.53942%0.416SS..Hα-helixtrans-64.1-42.4178.4179.661.8000112.2A7 S8 T9 L13 E14 N15A7-L11 WeakPolarHBondContact O-CB 3.08Å; A7-L11 PolarHBondContact O-N 3.39Å; S8-L11 PolarHBondContact O-N 3.35Å; T9-L11 PolarHBondContact O-N 3.37Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.49Å; L11-E14 PolarHBondContact O-N 3.44Å; L11-N15 PolarHBondContact O-N 2.99Å
12N87.1Confident78.3Confident25 Ų2573.6 Ų73.613%0.13438%0.376CS..Hα-helixtrans-64.4-39.2178.9-72.3-12.3000111.5S8 T9 N15 L16 I58 C91S8-N12 WeakPolarHBondContact O-CB 3.33Å; S8-N12 PolarHBondContact O-N 2.97Å; S8-N12 PolarHBondContact O-ND2 2.75Å; S8-N12 PolarHBondContact O-OD1 3.09Å; T9-N12 PolarHBondContact O-N 2.9Å; N12-N15 PolarHBondContact O-N 3.44Å; N12-L16 WeakPolarHBondContact O-CB 3.28Å; N12-L16 PolarHBondContact O-N 3.33Å; N12-I58 HydrophobicContact CB-CD1 3.66Å; N12-C91 HydrophobicContact CB-CB 4.33Å; N12-C91 WeakPolarHBondContact O-CB 3.44Å
13L89Confident81.5Confident42 Ų4263.7 Ų63.722%0.2233%0.334CS..Hα-helixtrans-67.9-38.1177.5-172.764.6000112.3T9 E10 L11 L16 K17 Y46 D49 K50 L55T9-L13 PolarHBondContact O-N 3.25Å; E10-L13 PolarHBondContact O-N 2.95Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.49Å; L13-L16 HydrophobicContact CD1-CD2 4.43Å; L13-L16 PolarHBondContact O-N 3.05Å; L13-K17 WeakPolarHBondContact O-CB 3.12Å; L13-K17 PolarHBondContact O-N 2.85Å; L13-Y46 HydrophobicContact CD1-CD2 3.91Å; L13-Y46 HydrophobicContact CD1-CE2 3.83Å; L13-Y46 HydrophobicContact CG-CE2 4.09Å; L13-D49 HydrophobicContact CD1-CB 4.25Å; L13-K50 HydrophobicContact CD1-CB 4.2Å; L13-K50 HydrophobicContact CD2-CB 4.37Å; L13-L55 HydrophobicContact CD1-CD2 4.34Å
14E92.4Very high84.4Confident81 Ų8154.5 Ų54.538%0.37931%0.309SS..Hα-helixtrans-68.4-38.4174.9-167.864.6-170.200111.6E10 L11 L16 K17 E18E10-E14 PolarHBondContact O-N 3.46Å; E10-E14 VanDerWaalsContact O-N 3.09Å; L11-E14 PolarHBondContact O-N 3.44Å; E14-L16 PolarHBondContact O-N 3.02Å; E14-K17 VanDerWaalsContact CD-NZ 3.34Å; E14-K17 WeakPolarHBondContact O-CB 3.29Å; E14-K17 PolarHBondContact O-N 3.26Å; E14-K17 IonicContact OE1-NZ 3.5Å; E14-K17 PolarHBondContact OE1-NZ 3.08Å; E14-K17 VanDerWaalsContact OE2-CD 3.28Å; E14-K17 WeakPolarHBondContact OE2-CD 3.4Å; E14-K17 IonicContact OE2-NZ 3.97Å; E14-K17 PolarHBondContact OE2-NZ 3.39Å; E14-E18 PolarHBondContact O-N 3.1Å
15N95Very high86.8Confident22 Ų2256.7 Ų56.712%0.11832%0.321CS..Hα-helixtrans-61.7-42.9171.7-82.4-15.6000111.9L11 N12 E18 L19 K89 P90 C91L11-N15 PolarHBondContact O-N 2.99Å; N12-N15 PolarHBondContact O-N 3.44Å; N15-E18 PolarHBondContact O-N 2.92Å; N15-L19 PolarHBondContact O-N 3.22Å; N15-K89 HydrophobicContact CB-CB 4.26Å; N15-K89 HydrophobicContact CB-CD 4.41Å; N15-P90 PolarHBondContact ND2-O 3.21Å; N15-C91 HydrophobicContact CB-CB 3.76Å
16L94.7Very high88.8Confident1 Ų153.9 Ų53.91%0.00530%0.301CS..Hα-helixtrans-62.9-42.1178.1179.861.8000112.1N12 L13 E14 E18 L19 Y46 D49 I58 I92N12-L16 WeakPolarHBondContact O-CB 3.28Å; N12-L16 PolarHBondContact O-N 3.33Å; L13-L16 HydrophobicContact CD1-CD2 4.43Å; L13-L16 PolarHBondContact O-N 3.05Å; E14-L16 PolarHBondContact O-N 3.02Å; L16-E18 VanDerWaalsContact C-N 3.26Å; L16-E18 PolarHBondContact O-N 3.48Å; L16-L19 HydrophobicContact CD1-CD2 4.13Å; L16-L19 VanDerWaalsContact O-CB 3.31Å; L16-L19 WeakPolarHBondContact O-CB 3.34Å; L16-L19 PolarHBondContact O-N 3.21Å; L16-Y46 HydrophobicContact CD2-CD2 4.35Å; L16-Y46 HydrophobicContact CG-CD2 4.25Å; L16-D49 HydrophobicContact CD2-CB 4Å; L16-I58 HydrophobicContact CB-CD1 4.32Å; L16-I58 HydrophobicContact CD1-CG2 3.93Å; L16-I58 HydrophobicContact CD2-CD1 4.21Å; L16-I58 HydrophobicContact CD2-CG2 3.68Å; L16-I58 HydrophobicContact CG-CG2 4.28Å; L16-I92 HydrophobicContact CD1-CD1 4.08Å
17K95.8Very high90.4Very high98 Ų9848.5 Ų48.543%0.42627%0.272SS..Hα-helixtrans-56.4-39.9175-178.5-173.5169.3-160.40112.5L13 E14 Y46L13-K17 WeakPolarHBondContact O-CB 3.12Å; L13-K17 PolarHBondContact O-N 2.85Å; E14-K17 VanDerWaalsContact CD-NZ 3.34Å; E14-K17 WeakPolarHBondContact O-CB 3.29Å; E14-K17 PolarHBondContact O-N 3.26Å; E14-K17 IonicContact OE1-NZ 3.5Å; E14-K17 PolarHBondContact OE1-NZ 3.08Å; E14-K17 VanDerWaalsContact OE2-CD 3.28Å; E14-K17 WeakPolarHBondContact OE2-CD 3.4Å; E14-K17 IonicContact OE2-NZ 3.97Å; E14-K17 PolarHBondContact OE2-NZ 3.39Å; K17-Y46 HydrophobicContact CB-CD2 3.82Å; K17-Y46 HydrophobicContact CB-CE1 4.41Å; K17-Y46 HydrophobicContact CB-CE2 3.47Å; K17-Y46 VanDerWaalsContact CB-CE2 3.47Å; K17-Y46 HydrophobicContact CB-CG 4.43Å; K17-Y46 HydrophobicContact CD-CE2 4.38Å; K17-Y46 HydrophobicContact CG-CE1 4.1Å; K17-Y46 HydrophobicContact CG-CE2 3.93Å
18E97.5Very high92Very high73 Ų7351.6 Ų51.634%0.34127%0.274SS..Hα-helixtrans-87.2-13.4-178.8-65.7-172.916900113.7E14 N15 L16 A20 S21 T22 K89E14-E18 PolarHBondContact O-N 3.1Å; N15-E18 PolarHBondContact O-N 2.92Å; L16-E18 VanDerWaalsContact C-N 3.26Å; L16-E18 PolarHBondContact O-N 3.48Å; E18-A20 VanDerWaalsContact C-N 3.33Å; E18-A20 PolarHBondContact O-N 3.42Å; E18-S21 PolarHBondContact O-N 3.13Å; E18-S21 VanDerWaalsContact O-N 3.09Å; E18-S21 PolarHBondContact O-OG 2.99Å; E18-T22 PolarHBondContact O-N 3.32Å; E18-T22 PolarHBondContact O-OG1 3.36Å; E18-K89 HydrophobicContact CB-CD 4.19Å; E18-K89 VanDerWaalsContact OE2-CE 3.32Å; E18-K89 WeakPolarHBondContact OE2-CE 3.33Å; E18-K89 IonicContact OE2-NZ 3.91Å; E18-K89 PolarHBondContact OE2-NZ 3.41Å
19L97.9Very high92.9Very high0 Ų057.8 Ų57.80%031%0.305CS..Hα-helixtrans-57.5-42.2-172.9-177.762.4000112.7N15 L16 S21 T22 Y23 M42 L60 A85 L86 K89 I92N15-L19 PolarHBondContact O-N 3.22Å; L16-L19 HydrophobicContact CD1-CD2 4.13Å; L16-L19 VanDerWaalsContact O-CB 3.31Å; L16-L19 WeakPolarHBondContact O-CB 3.34Å; L16-L19 PolarHBondContact O-N 3.21Å; L19-S21 PolarHBondContact O-N 2.85Å; L19-T22 PolarHBondContact O-N 2.91Å; L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 2.82Å; L19-M42 HydrophobicContact CD1-CE 4.31Å; L19-M42 HydrophobicContact CD2-CE 4.04Å; L19-M42 HydrophobicContact CD2-CG 4.05Å; L19-M42 HydrophobicContact CD2-SD 4.27Å; L19-M42 HydrophobicContact CG-CE 3.87Å; L19-M42 HydrophobicContact CG-CG 4.24Å; L19-M42 HydrophobicContact CG-SD 3.87Å; L19-L60 HydrophobicContact CD2-CD2 4.5Å; L19-A85 HydrophobicContact CD1-CB 4.1Å; L19-L86 HydrophobicContact CD1-CD2 4.05Å; L19-L86 HydrophobicContact CD2-CD2 4.08Å; L19-K89 HydrophobicContact CD1-CB 3.9Å; L19-I92 HydrophobicContact CD2-CD1 4.07Å; L19-I92 HydrophobicContact CD2-CG1 4.29Å
20A97.8Very high93.9Very high7 Ų763.6 Ų63.66%0.05833%0.327CS..Hα-helixtrans-64.2-37.617900000112.9E18 A24 M42 R43E18-A20 VanDerWaalsContact C-N 3.33Å; E18-A20 PolarHBondContact O-N 3.42Å; A20-A24 PolarHBondContact O-N 2.74Å; A20-M42 HydrophobicContact CB-CB 3.97Å; A20-M42 HydrophobicContact CB-SD 4.47Å; A20-R43 HydrophobicContact CB-CG 3.88Å
21S97.8Very high94.7Very high65 Ų6561.5 Ų61.546%0.45533%0.326SS..Hα-helixtrans-70.8-43.9174.134.50000111.8E18 L19 Y23 A24 D25E18-S21 PolarHBondContact O-N 3.13Å; E18-S21 VanDerWaalsContact O-N 3.09Å; E18-S21 PolarHBondContact O-OG 2.99Å; L19-S21 PolarHBondContact O-N 2.85Å; S21-Y23 VanDerWaalsContact C-N 3.3Å; S21-Y23 PolarHBondContact O-N 3.33Å; S21-A24 WeakPolarHBondContact O-CB 3.34Å; S21-A24 PolarHBondContact O-N 3.34Å; S21-A24 VanDerWaalsContact O-N 3.11Å; S21-D25 PolarHBondContact O-N 3.41Å
22T98.3Very high95.3Very high17 Ų1757.9 Ų57.910%0.10431%0.309CS..Hα-helixtrans-61.9-39.6176.9-57.80000111.6E18 L19 A24 D25 C26 A85 L88 K89E18-T22 PolarHBondContact O-N 3.32Å; E18-T22 PolarHBondContact O-OG1 3.36Å; L19-T22 PolarHBondContact O-N 2.91Å; T22-A24 VanDerWaalsContact C-N 3.35Å; T22-A24 PolarHBondContact O-N 3.13Å; T22-D25 WeakPolarHBondContact O-CB 3.12Å; T22-D25 PolarHBondContact O-N 2.92Å; T22-C26 PolarHBondContact O-N 3.12Å; T22-C26 PolarHBondContact O-SG 3.02Å; T22-A85 HydrophobicContact CG2-CB 4.32Å; T22-L88 HydrophobicContact CG2-CB 3.78Å; T22-L88 HydrophobicContact CG2-CD1 3.8Å; T22-L88 HydrophobicContact CG2-CG 4.46Å; T22-K89 HydrophobicContact CG2-CG 4.04Å; T22-K89 WeakPolarHBondContact OG1-CE 3.38Å; T22-K89 WeakPolarHBondContact OG1-CG 3.16Å
23Y98.4Very high95.6Very high0 Ų061.8 Ų61.80%034%0.335CS..Hα-helixtrans-60.4-42.8173175.1-107.4000112.4L19 S21 D25 C26 L27 S35 I38 M42 P81 L82 A85L19-Y23 WeakPolarHBondContact O-CB 3.42Å; L19-Y23 PolarHBondContact O-N 2.82Å; S21-Y23 VanDerWaalsContact C-N 3.3Å; S21-Y23 PolarHBondContact O-N 3.33Å; Y23-D25 VanDerWaalsContact C-N 3.28Å; Y23-D25 PolarHBondContact O-N 2.78Å; Y23-C26 WeakPolarHBondContact O-CB 3.37Å; Y23-C26 PolarHBondContact O-N 2.91Å; Y23-L27 HydrophobicContact CD1-CD1 4.29Å; Y23-L27 HydrophobicContact CE1-CD1 3.79Å; Y23-L27 HydrophobicContact CE1-CD2 4.48Å; Y23-L27 HydrophobicContact CE1-CG 4.23Å; Y23-L27 HydrophobicContact CE2-CD2 4.4Å; Y23-L27 WeakPolarHBondContact O-CG 3.49Å; Y23-L27 PolarHBondContact O-N 3.12Å; Y23-L27 VanDerWaalsContact O-N 3.08Å; Y23-S35 PolarHBondContact OH-OG 2.65Å; Y23-I38 HydrophobicContact CD1-CG2 3.99Å; Y23-I38 HydrophobicContact CD2-CG2 4.34Å; Y23-I38 HydrophobicContact CE1-CB 3.86Å; Y23-I38 HydrophobicContact CE1-CG2 3.66Å; Y23-I38 HydrophobicContact CE2-CG2 4.03Å; Y23-I38 HydrophobicContact CG-CG2 4.32Å; Y23-I38 WeakPolarHBondContact OH-CD1 3.21Å; Y23-M42 HydrophobicContact CD1-SD 4.33Å; Y23-M42 HydrophobicContact CD2-CE 4.23Å; Y23-M42 HydrophobicContact CG-CE 4.03Å; Y23-M42 HydrophobicContact CG-SD 4.09Å; Y23-P81 HydrophobicContact CD2-CB 4.38Å; Y23-P81 HydrophobicContact CE2-CB 3.94Å; Y23-P81 HydrophobicContact CE2-CG 4.08Å; Y23-L82 HydrophobicContact CE2-CB 4.25Å; Y23-A85 HydrophobicContact CD2-CB 4.3Å
24A97.8Very high96Very high47 Ų4759.9 Ų59.939%0.38833%0.325SS..Hα-helixtrans-61-38175.700000112.3A20 S21 T22 L27A20-A24 PolarHBondContact O-N 2.74Å; S21-A24 WeakPolarHBondContact O-CB 3.34Å; S21-A24 PolarHBondContact O-N 3.34Å; S21-A24 VanDerWaalsContact O-N 3.11Å; T22-A24 VanDerWaalsContact C-N 3.35Å; T22-A24 PolarHBondContact O-N 3.13Å; A24-L27 WeakPolarHBondContact O-CB 3.29Å; A24-L27 PolarHBondContact O-N 2.97Å
25D98.1Very high96.2Very high121 Ų12156.3 Ų56.365%0.64731%0.31SS*.Hα-helixtrans-66.7-42174.4-64.6-28.2000111.6S21 T22 Y23 L27 Q28S21-D25 PolarHBondContact O-N 3.41Å; T22-D25 WeakPolarHBondContact O-CB 3.12Å; T22-D25 PolarHBondContact O-N 2.92Å; Y23-D25 VanDerWaalsContact C-N 3.28Å; Y23-D25 PolarHBondContact O-N 2.78Å; D25-L27 PolarHBondContact O-N 3.34Å; D25-Q28 PolarHBondContact O-N 3.35Å
26C98Very high96.2Very high15 Ų1559.7 Ų59.710%0.10134%0.335CS..Hα-helixtrans-63.1-24.5176.8-70.50000113.5T22 Y23 Q28 P81 M84T22-C26 PolarHBondContact O-N 3.12Å; T22-C26 PolarHBondContact O-SG 3.02Å; Y23-C26 WeakPolarHBondContact O-CB 3.37Å; Y23-C26 PolarHBondContact O-N 2.91Å; C26-Q28 PolarHBondContact O-N 2.85Å; C26-P81 HydrophobicContact CB-CB 4.04Å; C26-P81 WeakPolarHBondContact CB-O 3.36Å; C26-M84 HydrophobicContact CB-CB 4.41Å; C26-M84 HydrophobicContact CB-SD 4.33Å
27L97.4Very high96.2Very high21 Ų2160 Ų6011%0.1134%0.336CS..THydrogen-bonded Turntrans-68.4-19.1172.6-70.6169.5000113.1Y23 A24 D25 N29 K30 S35 P81Y23-L27 HydrophobicContact CD1-CD1 4.29Å; Y23-L27 HydrophobicContact CE1-CD1 3.79Å; Y23-L27 HydrophobicContact CE1-CD2 4.48Å; Y23-L27 HydrophobicContact CE1-CG 4.23Å; Y23-L27 HydrophobicContact CE2-CD2 4.4Å; Y23-L27 WeakPolarHBondContact O-CG 3.49Å; Y23-L27 PolarHBondContact O-N 3.12Å; Y23-L27 VanDerWaalsContact O-N 3.08Å; A24-L27 WeakPolarHBondContact O-CB 3.29Å; A24-L27 PolarHBondContact O-N 2.97Å; D25-L27 PolarHBondContact O-N 3.34Å; L27-N29 VanDerWaalsContact C-N 3.27Å; L27-N29 PolarHBondContact O-N 3.27Å; L27-K30 WeakPolarHBondContact O-CA 3.34Å; L27-K30 WeakPolarHBondContact O-CB 3.47Å; L27-K30 PolarHBondContact O-N 2.91Å; L27-S35 WeakPolarHBondContact CD1-OG 3.48Å; L27-S35 VanDerWaalsContact CD2-OG 3.29Å; L27-S35 WeakPolarHBondContact CD2-OG 3.34Å; L27-P81 HydrophobicContact CD2-CB 3.91Å; L27-P81 HydrophobicContact CD2-CG 3.82Å; L27-P81 HydrophobicContact CG-CB 4.37Å
28Q94.2Very high96.3Very high134 Ų13455.4 Ų55.463%0.62632%0.316SS*.THydrogen-bonded Turntrans50.743.8178.1-58.1177.55.900113.4D25 C26 K30D25-Q28 PolarHBondContact O-N 3.35Å; C26-Q28 PolarHBondContact O-N 2.85Å; Q28-K30 PolarHBondContact O-N 3.49Å
29N90.7Very high96.3Very high162 Ų16252.5 Ų52.587%0.86630%0.304SS*.THydrogen-bonded Turntrans59.921.5-175.5-57.4-51000115L27 P31L27-N29 VanDerWaalsContact C-N 3.27Å; L27-N29 PolarHBondContact O-N 3.27Å; N29-P31 VanDerWaalsContact C-CD 3.46Å; N29-P31 WeakPolarHBondContact O-CD 3.45Å
30K94.2Very high96.2Very high158 Ų15856 Ų5669%0.68732%0.319SS*.  trans-115.974.1172.8-63.7178.2-176.7172.90110L27 Q28 T32L27-K30 WeakPolarHBondContact O-CA 3.34Å; L27-K30 WeakPolarHBondContact O-CB 3.47Å; L27-K30 PolarHBondContact O-N 2.91Å; Q28-K30 PolarHBondContact O-N 3.49Å; K30-T32 PolarHBondContact O-N 3.32Å
31P94.6Very high96Very high100 Ų10055.7 Ų55.765%0.64932%0.317SS*.  trans-65139178.129.5-34.9000110.5N29N29-P31 VanDerWaalsContact C-CD 3.46Å; N29-P31 WeakPolarHBondContact O-CD 3.45Å
32T94.8Very high96Very high27 Ų2752.7 Ų52.717%0.16630%0.295CS..  trans-87.7164.2166.668.90000110.1K30 A34 S35 V77 D78K30-T32 PolarHBondContact O-N 3.32Å; T32-A34 PolarHBondContact O-N 2.82Å; T32-A34 VanDerWaalsContact O-N 3.14Å; T32-A34 PolarHBondContact OG1-N 3.48Å; T32-S35 PolarHBondContact N-OG 3.45Å; T32-S35 WeakPolarHBondContact O-CB 3.4Å; T32-S35 PolarHBondContact O-N 3.15Å; T32-S35 VanDerWaalsContact O-N 3.1Å; T32-S35 PolarHBondContact O-OG 2.97Å; T32-S35 PolarHBondContact OG1-N 3.49Å; T32-S35 VanDerWaalsContact OG1-N 3.16Å; T32-S35 PolarHBondContact OG1-OG 3.35Å; T32-V77 HydrophobicContact CG2-CG2 4.03Å; T32-D78 WeakPolarHBondContact CB-OD1 3.16Å; T32-D78 WeakPolarHBondContact CG2-OD1 3.09Å; T32-D78 PolarHBondContact OG1-OD1 3.17Å
33P93.9Very high95.9Very high106 Ų10658.7 Ų58.769%0.68832%0.316SS*.THydrogen-bonded Turntrans-53.2-31.8171.8-27.336.4000113.4I72P33-I72 HydrophobicContact CB-CD1 3.7Å
34A96.1Very high95.6Very high2 Ų261.9 Ų61.92%0.01733%0.332CS..THydrogen-bonded Turntrans-88.1-9.8-179.100000115T32 S36 F37 I38 I72 L74 D78T32-A34 PolarHBondContact O-N 2.82Å; T32-A34 VanDerWaalsContact O-N 3.14Å; T32-A34 PolarHBondContact OG1-N 3.48Å; A34-S36 VanDerWaalsContact C-N 3.29Å; A34-S36 PolarHBondContact O-N 3.42Å; A34-F37 WeakPolarHBondContact O-CB 3.46Å; A34-F37 PolarHBondContact O-N 2.72Å; A34-I38 HydrophobicContact CB-CD1 4.1Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 3.49Å; A34-I72 HydrophobicContact CB-CG2 3.61Å; A34-L74 HydrophobicContact CB-CD1 4.03Å; A34-L74 HydrophobicContact CB-CG 4.13Å; A34-D78 WeakPolarHBondContact CB-OD1 3.08Å
35S96.8Very high95.3Very high7 Ų760.4 Ų60.45%0.04932%0.317CS..Hα-helixtrans-58.3-38.1-172.9-68.30000113.8Y23 L27 T32 S39Y23-S35 PolarHBondContact OH-OG 2.65Å; L27-S35 WeakPolarHBondContact CD1-OG 3.48Å; L27-S35 VanDerWaalsContact CD2-OG 3.29Å; L27-S35 WeakPolarHBondContact CD2-OG 3.34Å; T32-S35 PolarHBondContact N-OG 3.45Å; T32-S35 WeakPolarHBondContact O-CB 3.4Å; T32-S35 PolarHBondContact O-N 3.15Å; T32-S35 VanDerWaalsContact O-N 3.1Å; T32-S35 PolarHBondContact O-OG 2.97Å; T32-S35 PolarHBondContact OG1-N 3.49Å; T32-S35 VanDerWaalsContact OG1-N 3.16Å; T32-S35 PolarHBondContact OG1-OG 3.35Å; S35-S39 WeakPolarHBondContact O-CB 3.11Å; S35-S39 PolarHBondContact O-N 2.92Å; S35-S39 VanDerWaalsContact O-N 3.08Å; S35-S39 PolarHBondContact O-OG 3.24Å
36S95.2Very high95.1Very high92 Ų9257 Ų5764%0.64330%0.295SS*.Hα-helixtrans-68.7-40.2177.963.40000112A34 K40A34-S36 VanDerWaalsContact C-N 3.29Å; A34-S36 PolarHBondContact O-N 3.42Å; S36-K40 WeakPolarHBondContact O-CB 3.02Å; S36-K40 PolarHBondContact O-N 2.92Å
37F95.6Very high94.9Very high9 Ų961 Ų614%0.03931%0.312CS..Hα-helixtrans-64.3-49.6175.2170.8-104.3000111.1A34 S39 K40 I41 L62 L69 A71 I72 L74A34-F37 WeakPolarHBondContact O-CB 3.46Å; A34-F37 PolarHBondContact O-N 2.72Å; F37-S39 VanDerWaalsContact C-N 3.32Å; F37-S39 PolarHBondContact O-N 2.76Å; F37-K40 WeakPolarHBondContact O-CB 3.34Å; F37-K40 PolarHBondContact O-N 3.35Å; F37-I41 HydrophobicContact CD1-CG1 4.46Å; F37-I41 HydrophobicContact CD2-CD1 4.4Å; F37-I41 HydrophobicContact CD2-CG1 4.11Å; F37-I41 HydrophobicContact CE1-CG1 4.06Å; F37-I41 HydrophobicContact CE2-CD1 3.72Å; F37-I41 HydrophobicContact CE2-CG1 3.66Å; F37-I41 HydrophobicContact CG-CG1 4.48Å; F37-I41 HydrophobicContact CZ-CD1 4Å; F37-I41 HydrophobicContact CZ-CG1 3.64Å; F37-I41 WeakPolarHBondContact O-CG1 3.31Å; F37-I41 PolarHBondContact O-N 3.43Å; F37-L62 HydrophobicContact CE1-CD2 4.18Å; F37-L69 HydrophobicContact CE2-CB 4.5Å; F37-A71 HydrophobicContact CE2-CB 4.05Å; F37-A71 HydrophobicContact CZ-CB 4.07Å; F37-I72 HydrophobicContact CB-CG2 3.74Å; F37-I72 HydrophobicContact CD1-CG2 4.05Å; F37-I72 HydrophobicContact CG-CG2 4Å; F37-L74 HydrophobicContact CD1-CD1 4Å; F37-L74 HydrophobicContact CE1-CD1 4.05Å
38I97.1Very high94.5Very high0 Ų065 Ų650%033%0.334CS..Hα-helixtrans-57-47.7178.5-66.8162.3000110.6Y23 A34 K40 I41 M42 L62 L74 D78 L82Y23-I38 HydrophobicContact CD1-CG2 3.99Å; Y23-I38 HydrophobicContact CD2-CG2 4.34Å; Y23-I38 HydrophobicContact CE1-CB 3.86Å; Y23-I38 HydrophobicContact CE1-CG2 3.66Å; Y23-I38 HydrophobicContact CE2-CG2 4.03Å; Y23-I38 HydrophobicContact CG-CG2 4.32Å; Y23-I38 WeakPolarHBondContact OH-CD1 3.21Å; A34-I38 HydrophobicContact CB-CD1 4.1Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 3.49Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.28Å; I38-I41 PolarHBondContact O-N 3.16Å; I38-M42 HydrophobicContact CG2-CE 3.68Å; I38-M42 HydrophobicContact CG2-SD 4.03Å; I38-M42 WeakPolarHBondContact O-CG 3.35Å; I38-M42 PolarHBondContact O-N 3.41Å; I38-L62 HydrophobicContact CB-CD2 4.24Å; I38-L62 HydrophobicContact CG1-CD1 4.47Å; I38-L62 HydrophobicContact CG1-CD2 3.97Å; I38-L62 HydrophobicContact CG2-CD1 4.43Å; I38-L62 HydrophobicContact CG2-CD2 4.26Å; I38-L74 HydrophobicContact CD1-CD2 3.88Å; I38-L74 HydrophobicContact CD1-CG 4.09Å; I38-L74 HydrophobicContact CG1-CD1 4.35Å; I38-L74 HydrophobicContact CG1-CD2 4.1Å; I38-L74 HydrophobicContact CG1-CG 4.4Å; I38-D78 HydrophobicContact CD1-CB 4.17Å; I38-L82 HydrophobicContact CG2-CD1 4.3Å
39S97.2Very high94.2Very high12 Ų1259.4 Ų59.48%0.08431%0.308CS..Hα-helixtrans-63.2-36.3177.4-57.80000112.9S35 F37 R43S35-S39 WeakPolarHBondContact O-CB 3.11Å; S35-S39 PolarHBondContact O-N 2.92Å; S35-S39 VanDerWaalsContact O-N 3.08Å; S35-S39 PolarHBondContact O-OG 3.24Å; F37-S39 VanDerWaalsContact C-N 3.32Å; F37-S39 PolarHBondContact O-N 2.76Å; S39-R43 WeakPolarHBondContact O-CG 3.49Å; S39-R43 PolarHBondContact O-N 3.42Å
40K95.8Very high94Very high73 Ų7355.4 Ų55.432%0.31728%0.283SS..Hα-helixtrans-64.1-48175.2175.9-172.8174.5-172.20110.2S36 F37 I38 R43 M44 L69 D70S36-K40 WeakPolarHBondContact O-CB 3.02Å; S36-K40 PolarHBondContact O-N 2.92Å; F37-K40 WeakPolarHBondContact O-CB 3.34Å; F37-K40 PolarHBondContact O-N 3.35Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.28Å; K40-R43 PolarHBondContact O-N 3.23Å; K40-M44 HydrophobicContact CG-SD 4.01Å; K40-M44 VanDerWaalsContact O-CG 3.32Å; K40-M44 WeakPolarHBondContact O-CG 3.48Å; K40-M44 PolarHBondContact O-N 2.88Å; K40-L69 PolarHBondContact NZ-O 2.87Å; K40-D70 IonicContact NZ-OD2 3.23Å
41I95Very high93.5Very high2 Ų253.5 Ų53.51%0.0128%0.28CS..Hα-helixtrans-63.1-46.5179.6-62.5-54.7000111.2F37 I38 R43 M44 E45 L60 K61 L62 L69F37-I41 HydrophobicContact CD1-CG1 4.46Å; F37-I41 HydrophobicContact CD2-CD1 4.4Å; F37-I41 HydrophobicContact CD2-CG1 4.11Å; F37-I41 HydrophobicContact CE1-CG1 4.06Å; F37-I41 HydrophobicContact CE2-CD1 3.72Å; F37-I41 HydrophobicContact CE2-CG1 3.66Å; F37-I41 HydrophobicContact CG-CG1 4.48Å; F37-I41 HydrophobicContact CZ-CD1 4Å; F37-I41 HydrophobicContact CZ-CG1 3.64Å; F37-I41 WeakPolarHBondContact O-CG1 3.31Å; F37-I41 PolarHBondContact O-N 3.43Å; I38-I41 PolarHBondContact O-N 3.16Å; I41-R43 VanDerWaalsContact C-N 3.27Å; I41-R43 PolarHBondContact O-N 3.05Å; I41-M44 HydrophobicContact CD1-SD 4.32Å; I41-M44 WeakPolarHBondContact O-CA 3.42Å; I41-M44 WeakPolarHBondContact O-CB 3.31Å; I41-M44 PolarHBondContact O-N 2.78Å; I41-E45 HydrophobicContact CG2-CG 4.05Å; I41-E45 WeakPolarHBondContact O-CG 3.42Å; I41-E45 PolarHBondContact O-N 3.12Å; I41-L60 HydrophobicContact CG2-CD1 3.94Å; I41-K61 WeakPolarHBondContact CG2-O 3.43Å; I41-L62 HydrophobicContact CB-CD2 3.81Å; I41-L62 HydrophobicContact CG1-CD2 4.08Å; I41-L62 HydrophobicContact CG2-CD2 3.9Å; I41-L69 HydrophobicContact CD1-CD1 3.71Å
42M96.6Very high92.8Very high1 Ų152.4 Ų52.41%0.00527%0.269CS..Hα-helixtrans-54.5-42.9177-72.4170169.100112.4L19 A20 Y23 I38 Y46 L60 L82L19-M42 HydrophobicContact CD1-CE 4.31Å; L19-M42 HydrophobicContact CD2-CE 4.04Å; L19-M42 HydrophobicContact CD2-CG 4.05Å; L19-M42 HydrophobicContact CD2-SD 4.27Å; L19-M42 HydrophobicContact CG-CE 3.87Å; L19-M42 HydrophobicContact CG-CG 4.24Å; L19-M42 HydrophobicContact CG-SD 3.87Å; A20-M42 HydrophobicContact CB-CB 3.97Å; A20-M42 HydrophobicContact CB-SD 4.47Å; Y23-M42 HydrophobicContact CD1-SD 4.33Å; Y23-M42 HydrophobicContact CD2-CE 4.23Å; Y23-M42 HydrophobicContact CG-CE 4.03Å; Y23-M42 HydrophobicContact CG-SD 4.09Å; I38-M42 HydrophobicContact CG2-CE 3.68Å; I38-M42 HydrophobicContact CG2-SD 4.03Å; I38-M42 WeakPolarHBondContact O-CG 3.35Å; I38-M42 PolarHBondContact O-N 3.41Å; M42-Y46 PolarHBondContact O-N 3Å; M42-Y46 VanDerWaalsContact O-N 3.14Å; M42-L60 HydrophobicContact CE-CD2 4.18Å; M42-L60 HydrophobicContact CG-CD1 3.92Å; M42-L82 HydrophobicContact CE-CD1 3.46Å; M42-L82 VanDerWaalsContact CE-CD1 3.46Å
43R96.5Very high91.8Very high143 Ų14359 Ų5954%0.5430%0.303SS..Hα-helixtrans-68.3-38.6175.7-67.1179.3-164113.61.6112.3A20 S39 K40 I41 Y46 E47A20-R43 HydrophobicContact CB-CG 3.88Å; S39-R43 WeakPolarHBondContact O-CG 3.49Å; S39-R43 PolarHBondContact O-N 3.42Å; K40-R43 PolarHBondContact O-N 3.23Å; I41-R43 VanDerWaalsContact C-N 3.27Å; I41-R43 PolarHBondContact O-N 3.05Å; R43-Y46 PolarHBondContact O-N 3.36Å; R43-E47 VanDerWaalsContact O-CG 3.24Å; R43-E47 WeakPolarHBondContact O-CG 3.38Å; R43-E47 PolarHBondContact O-N 3.1Å
44M93.1Very high90.9Very high68 Ų6859.5 Ų59.534%0.33530%0.298SS..Hα-helixtrans-64.7-45.6178.1-74.2179.159.200112K40 I41 Y46 E47 L48 L69K40-M44 HydrophobicContact CG-SD 4.01Å; K40-M44 VanDerWaalsContact O-CG 3.32Å; K40-M44 WeakPolarHBondContact O-CG 3.48Å; K40-M44 PolarHBondContact O-N 2.88Å; I41-M44 HydrophobicContact CD1-SD 4.32Å; I41-M44 WeakPolarHBondContact O-CA 3.42Å; I41-M44 WeakPolarHBondContact O-CB 3.31Å; I41-M44 PolarHBondContact O-N 2.78Å; M44-Y46 VanDerWaalsContact C-N 3.33Å; M44-Y46 PolarHBondContact O-N 2.66Å; M44-E47 PolarHBondContact O-N 3.25Å; M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 2.83Å; M44-L69 HydrophobicContact CE-CD1 3.93Å; M44-L69 HydrophobicContact CE-CD2 3.76Å; M44-L69 HydrophobicContact SD-CD1 4.46Å; M44-L69 HydrophobicContact SD-CD2 4.36Å
45E90.6Very high89.9Confident15 Ų1560.1 Ų60.17%0.0730%0.302CS..Hα-helixtrans-63.9-39.5177.5-60.3-66.717100110.7I41 E47 L48 D49 Y59 K61I41-E45 HydrophobicContact CG2-CG 4.05Å; I41-E45 WeakPolarHBondContact O-CG 3.42Å; I41-E45 PolarHBondContact O-N 3.12Å; E45-E47 PolarHBondContact O-N 3.04Å; E45-L48 PolarHBondContact O-N 3.39Å; E45-D49 WeakPolarHBondContact O-CB 3.47Å; E45-D49 PolarHBondContact O-N 3.25Å; E45-Y59 VanDerWaalsContact CG-O 3.28Å; E45-Y59 WeakPolarHBondContact CG-O 3.48Å; E45-K61 WeakPolarHBondContact OE1-CB 3.38Å
46Y93.9Very high88.8Confident50 Ų5066.2 Ų66.220%0.19633%0.328CS..Hα-helixtrans-57.3-45.9170.5173.7-110.7000113.2L13 L16 K17 M42 R43 M44 L48 D49 K50L13-Y46 HydrophobicContact CD1-CD2 3.91Å; L13-Y46 HydrophobicContact CD1-CE2 3.83Å; L13-Y46 HydrophobicContact CG-CE2 4.09Å; L16-Y46 HydrophobicContact CD2-CD2 4.35Å; L16-Y46 HydrophobicContact CG-CD2 4.25Å; K17-Y46 HydrophobicContact CB-CD2 3.82Å; K17-Y46 HydrophobicContact CB-CE1 4.41Å; K17-Y46 HydrophobicContact CB-CE2 3.47Å; K17-Y46 VanDerWaalsContact CB-CE2 3.47Å; K17-Y46 HydrophobicContact CB-CG 4.43Å; K17-Y46 HydrophobicContact CD-CE2 4.38Å; K17-Y46 HydrophobicContact CG-CE1 4.1Å; K17-Y46 HydrophobicContact CG-CE2 3.93Å; M42-Y46 PolarHBondContact O-N 3Å; M42-Y46 VanDerWaalsContact O-N 3.14Å; R43-Y46 PolarHBondContact O-N 3.36Å; M44-Y46 VanDerWaalsContact C-N 3.33Å; M44-Y46 PolarHBondContact O-N 2.66Å; Y46-L48 PolarHBondContact O-N 3.07Å; Y46-D49 PolarHBondContact O-N 2.81Å; Y46-K50 HydrophobicContact CE1-CD 4Å; Y46-K50 HydrophobicContact CE2-CB 4.08Å; Y46-K50 VanDerWaalsContact O-CB 3.31Å; Y46-K50 WeakPolarHBondContact O-CB 3.28Å; Y46-K50 WeakPolarHBondContact O-CG 3.49Å; Y46-K50 PolarHBondContact O-N 3.33Å
47E93.1Very high88.1Confident98 Ų9862.5 Ų62.546%0.45830%0.302SS..Hα-helixtrans-66.1-27.6-179.8-70.9-69.8124.200112.9R43 M44 E45 K50 N51R43-E47 VanDerWaalsContact O-CG 3.24Å; R43-E47 WeakPolarHBondContact O-CG 3.38Å; R43-E47 PolarHBondContact O-N 3.1Å; M44-E47 PolarHBondContact O-N 3.25Å; E45-E47 PolarHBondContact O-N 3.04Å; E47-K50 IonicContact OE1-NZ 2.69Å; E47-K50 PolarHBondContact OE1-NZ 2.82Å; E47-K50 WeakPolarHBondContact OE2-CE 3.26Å; E47-K50 IonicContact OE2-NZ 3.89Å; E47-K50 PolarHBondContact OE2-NZ 3.17Å; E47-N51 PolarHBondContact O-ND2 3.45Å
48L88.8Confident87.8Confident107 Ų10762.2 Ų62.256%0.5630%0.301SS*.Hα-helixtrans-73.4-53.9172-68.4171.5000110.6M44 E45 Y46 K50 N51M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 2.83Å; E45-L48 PolarHBondContact O-N 3.39Å; Y46-L48 PolarHBondContact O-N 3.07Å; L48-K50 PolarHBondContact O-N 3.07Å; L48-N51 PolarHBondContact O-N 3.08Å
49D88Confident87.4Confident15 Ų1565.5 Ų65.58%0.0831%0.314CS..Hα-helixtrans-71.6-28.9-171.4-71.1-4000113.1L13 L16 E45 Y46 N51 D52 L55 I58L13-D49 HydrophobicContact CD1-CB 4.25Å; L16-D49 HydrophobicContact CD2-CB 4Å; E45-D49 WeakPolarHBondContact O-CB 3.47Å; E45-D49 PolarHBondContact O-N 3.25Å; Y46-D49 PolarHBondContact O-N 2.81Å; D49-N51 PolarHBondContact O-N 3.31Å; D49-N51 VanDerWaalsContact O-N 3.13Å; D49-D52 PolarHBondContact O-N 2.7Å; D49-D52 VanDerWaalsContact O-N 3.07Å; D49-L55 HydrophobicContact CB-CD1 3.79Å; D49-L55 HydrophobicContact CB-CD2 4.04Å; D49-I58 WeakPolarHBondContact OD2-CG2 3.3Å
50K87.3Confident87.3Confident79 Ų7965 Ų6534%0.34331%0.31SS..THydrogen-bonded Turntrans-64.2-19.3179.875.2179.3-175.3-178.60114.3L13 Y46 E47 L48L13-K50 HydrophobicContact CD1-CB 4.2Å; L13-K50 HydrophobicContact CD2-CB 4.37Å; Y46-K50 HydrophobicContact CE1-CD 4Å; Y46-K50 HydrophobicContact CE2-CB 4.08Å; Y46-K50 VanDerWaalsContact O-CB 3.31Å; Y46-K50 WeakPolarHBondContact O-CB 3.28Å; Y46-K50 WeakPolarHBondContact O-CG 3.49Å; Y46-K50 PolarHBondContact O-N 3.33Å; E47-K50 IonicContact OE1-NZ 2.69Å; E47-K50 PolarHBondContact OE1-NZ 2.82Å; E47-K50 WeakPolarHBondContact OE2-CE 3.26Å; E47-K50 IonicContact OE2-NZ 3.89Å; E47-K50 PolarHBondContact OE2-NZ 3.17Å; L48-K50 PolarHBondContact O-N 3.07Å
51N84.1Confident87.1Confident117 Ų11765.3 Ų65.363%0.62631%0.311SS*.THydrogen-bonded Turntrans-106.45.6179.4-58.5-60.5000111.8E47 L48 D49 D53E47-N51 PolarHBondContact O-ND2 3.45Å; L48-N51 PolarHBondContact O-N 3.08Å; D49-N51 PolarHBondContact O-N 3.31Å; D49-N51 VanDerWaalsContact O-N 3.13Å; N51-D53 PolarHBondContact O-N 2.89Å
52D79.2Confident87.1Confident78 Ų7865.2 Ų65.242%0.41731%0.311SS..  trans-88.8102.2177.3-169.8-8.3000110.2D49 I54 L55D49-D52 PolarHBondContact O-N 2.7Å; D49-D52 VanDerWaalsContact O-N 3.07Å; D52-I54 PolarHBondContact O-N 3.38Å; D52-I54 VanDerWaalsContact O-N 3.08Å; D52-I54 WeakPolarHBondContact OD1-CA 3.3Å; D52-I54 PolarHBondContact OD1-N 3.31Å; D52-L55 HydrophobicContact CB-CB 4.22Å; D52-L55 HydrophobicContact CB-CD1 4.46Å; D52-L55 PolarHBondContact O-N 3.01Å
53D74.7Confident87Confident165 Ų16565.9 Ų65.988%0.88232%0.315SS*.THydrogen-bonded Turntrans-62-12.9176.4-67.3-32.6000112.9N51N51-D53 PolarHBondContact O-N 2.89Å
54I73.3Confident86.7Confident116 Ų11659.3 Ų59.360%0.59529%0.293SS*.THydrogen-bonded Turntrans-12735.1-174.2-47.2171.9000110.2D52 F56D52-I54 PolarHBondContact O-N 3.38Å; D52-I54 VanDerWaalsContact O-N 3.08Å; D52-I54 WeakPolarHBondContact OD1-CA 3.3Å; D52-I54 PolarHBondContact OD1-N 3.31Å; I54-F56 HydrophobicContact CB-CE2 4.49Å; I54-F56 HydrophobicContact CG2-CD2 3.75Å; I54-F56 HydrophobicContact CG2-CE2 3.11Å; I54-F56 HydrophobicContact CG2-CZ 3.74Å; I54-F56 WeakPolarHBondContact O-CD2 3.44Å; I54-F56 PolarHBondContact O-N 3.03Å
55L75.5Confident86.4Confident16 Ų1658 Ų588%0.08429%0.287CS..  trans-63.8106.2-179.5-173.166.2000112.1T9 L13 D49 D52 A57 I58T9-L55 HydrophobicContact CG2-CB 4.04Å; T9-L55 HydrophobicContact CG2-CD2 4.19Å; T9-L55 HydrophobicContact CG2-CG 4.38Å; L13-L55 HydrophobicContact CD1-CD2 4.34Å; D49-L55 HydrophobicContact CB-CD1 3.79Å; D49-L55 HydrophobicContact CB-CD2 4.04Å; D52-L55 HydrophobicContact CB-CB 4.22Å; D52-L55 HydrophobicContact CB-CD1 4.46Å; D52-L55 PolarHBondContact O-N 3.01Å; L55-A57 WeakPolarHBondContact CD1-O 3.44Å; L55-I58 HydrophobicContact CD1-CG1 4.32Å; L55-I58 HydrophobicContact CD2-CD1 4.37Å; L55-I58 HydrophobicContact CD2-CG1 4.16Å; L55-I58 HydrophobicContact CG-CG1 4.44Å
56F73.6Confident85.9Confident135 Ų13559.9 Ų59.959%0.59230%0.297SS*.  trans-103.3-28.3176.8-71.5-64000114.2I54I54-F56 HydrophobicContact CB-CE2 4.49Å; I54-F56 HydrophobicContact CG2-CD2 3.75Å; I54-F56 HydrophobicContact CG2-CE2 3.11Å; I54-F56 HydrophobicContact CG2-CZ 3.74Å; I54-F56 WeakPolarHBondContact O-CD2 3.44Å; I54-F56 PolarHBondContact O-N 3.03Å
57A81.9Confident85.3Confident13 Ų1363.6 Ų63.611%0.10732%0.316CS..  trans-146.3141.7-173.500000109.1L55 Y59 T93 M94L55-A57 WeakPolarHBondContact CD1-O 3.44Å; A57-Y59 HydrophobicContact CB-CD2 4.37Å; A57-Y59 HydrophobicContact CB-CE2 3.64Å; A57-Y59 WeakPolarHBondContact O-CD2 3.14Å; A57-T93 WeakPolarHBondContact CA-OG1 3.25Å; A57-T93 VanDerWaalsContact CB-OG1 3.24Å; A57-T93 WeakPolarHBondContact CB-OG1 3.45Å; A57-M94 HydrophobicContact CB-CE 3.93Å
58I88.3Confident84.7Confident3 Ų366.9 Ų66.92%0.01533%0.331CS..  trans-107.9125.4178.5-63.5178.3000108.4N12 L16 D49 L55 C91 I92 T93 M94N12-I58 HydrophobicContact CB-CD1 3.66Å; L16-I58 HydrophobicContact CB-CD1 4.32Å; L16-I58 HydrophobicContact CD1-CG2 3.93Å; L16-I58 HydrophobicContact CD2-CD1 4.21Å; L16-I58 HydrophobicContact CD2-CG2 3.68Å; L16-I58 HydrophobicContact CG-CG2 4.28Å; D49-I58 WeakPolarHBondContact OD2-CG2 3.3Å; L55-I58 HydrophobicContact CD1-CG1 4.32Å; L55-I58 HydrophobicContact CD2-CD1 4.37Å; L55-I58 HydrophobicContact CD2-CG1 4.16Å; L55-I58 HydrophobicContact CG-CG1 4.44Å; I58-C91 WeakPolarHBondContact CB-O 3.14Å; I58-C91 HydrophobicContact CD1-CB 4.12Å; I58-I92 HydrophobicContact CB-CD1 4.47Å; I58-I92 HydrophobicContact CG2-CD1 3.48Å; I58-I92 VanDerWaalsContact CG2-CD1 3.48Å; I58-T93 PolarHBondContact N-OG1 3.37Å; I58-T93 VanDerWaalsContact N-OG1 3.16Å; I58-T93 PolarHBondContact O-N 2.85Å; I58-T93 PolarHBondContact O-OG1 3.43Å; I58-M94 PolarHBondContact O-N 3.38Å
59Y89.1Confident84.5Confident70 Ų7063.8 Ų63.828%0.27532%0.315SS..EExtended strand (participates in β ladder)trans-105.9133.1-174.1-66-110.7000109.7E45 A57 M94E45-Y59 VanDerWaalsContact CG-O 3.28Å; E45-Y59 WeakPolarHBondContact CG-O 3.48Å; A57-Y59 HydrophobicContact CB-CD2 4.37Å; A57-Y59 HydrophobicContact CB-CE2 3.64Å; A57-Y59 WeakPolarHBondContact O-CD2 3.14Å; Y59-M94 WeakPolarHBondContact CA-O 3.43Å; Y59-M94 HydrophobicContact CD1-CB 3.67Å; Y59-M94 HydrophobicContact CD1-CG 4.07Å; Y59-M94 HydrophobicContact CD1-SD 3.84Å; Y59-M94 HydrophobicContact CE1-CB 3.97Å; Y59-M94 HydrophobicContact CE1-CE 4Å; Y59-M94 HydrophobicContact CE1-CG 3.87Å; Y59-M94 HydrophobicContact CE1-SD 3.07Å; Y59-M94 WeakPolarHBondContact CE1-SD 3.33Å; Y59-M94 HydrophobicContact CE2-CE 4.35Å; Y59-M94 HydrophobicContact CE2-SD 4.31Å; Y59-M94 HydrophobicContact CG-CB 4.15Å; Y59-M94 WeakPolarHBondContact OH-CE 3.42Å; Y59-M94 PolarHBondContact OH-SD 2.94Å; Y59-M94 VanDerWaalsContact OH-SD 3.39Å
60L94.3Very high84.3Confident0 Ų069.2 Ų69.20%034%0.344CS..EExtended strand (participates in β ladder)trans-115.8100.4169.2-176.755.8000109.8L19 I41 M42 L62 L82 L86 I92 M94 L95 D96L19-L60 HydrophobicContact CD2-CD2 4.5Å; I41-L60 HydrophobicContact CG2-CD1 3.94Å; M42-L60 HydrophobicContact CE-CD2 4.18Å; M42-L60 HydrophobicContact CG-CD1 3.92Å; L60-L62 HydrophobicContact CD1-CD1 4.47Å; L60-L62 HydrophobicContact CD1-CD2 4.37Å; L60-L62 HydrophobicContact CD1-CG 4.18Å; L60-L62 HydrophobicContact CD2-CD1 4.02Å; L60-L62 HydrophobicContact CG-CD1 3.99Å; L60-L62 HydrophobicContact CG-CG 3.99Å; L60-L62 PolarHBondContact O-N 2.86Å; L60-L82 HydrophobicContact CD2-CD1 4.12Å; L60-L86 HydrophobicContact CD2-CD2 4.12Å; L60-I92 HydrophobicContact CB-CD1 3.93Å; L60-I92 HydrophobicContact CB-CG1 4.17Å; L60-I92 HydrophobicContact CB-CG2 3.93Å; L60-I92 HydrophobicContact CD2-CG1 4.33Å; L60-M94 PolarHBondContact N-O 2.82Å; L60-L95 HydrophobicContact CB-CD1 4.12Å; L60-L95 HydrophobicContact CD2-CD1 4.08Å; L60-L95 HydrophobicContact CG-CD1 4.13Å; L60-D96 PolarHBondContact O-N 3.15Å
61K92.8Very high84.2Confident80 Ų8066.5 Ų66.535%0.34834%0.336SS..EExtended strand (participates in β ladder)trans-97.183.5-173.5-61.8169-173.4142.80112.4I41 E45 C63 D96I41-K61 WeakPolarHBondContact CG2-O 3.43Å; E45-K61 WeakPolarHBondContact OE1-CB 3.38Å; K61-C63 VanDerWaalsContact C-N 3.27Å; K61-C63 PolarHBondContact O-N 3.16Å; K61-D96 HydrophobicContact CG-CB 4.4Å
62L95.3Very high84.6Confident0 Ų063.8 Ų63.80%032%0.321CS..  trans-92.649177.5-64.3171.8000111.5F37 I38 I41 L60 G64 L74 L82 L95 D96 L97 N100F37-L62 HydrophobicContact CE1-CD2 4.18Å; I38-L62 HydrophobicContact CB-CD2 4.24Å; I38-L62 HydrophobicContact CG1-CD1 4.47Å; I38-L62 HydrophobicContact CG1-CD2 3.97Å; I38-L62 HydrophobicContact CG2-CD1 4.43Å; I38-L62 HydrophobicContact CG2-CD2 4.26Å; I41-L62 HydrophobicContact CB-CD2 3.81Å; I41-L62 HydrophobicContact CG1-CD2 4.08Å; I41-L62 HydrophobicContact CG2-CD2 3.9Å; L60-L62 HydrophobicContact CD1-CD1 4.47Å; L60-L62 HydrophobicContact CD1-CD2 4.37Å; L60-L62 HydrophobicContact CD1-CG 4.18Å; L60-L62 HydrophobicContact CD2-CD1 4.02Å; L60-L62 HydrophobicContact CG-CD1 3.99Å; L60-L62 HydrophobicContact CG-CG 3.99Å; L60-L62 PolarHBondContact O-N 2.86Å; L62-G64 PolarHBondContact O-N 2.96Å; L62-L74 HydrophobicContact CB-CD2 4.23Å; L62-L74 HydrophobicContact CD1-CD2 4.19Å; L62-L82 HydrophobicContact CD1-CD1 4.14Å; L62-L82 HydrophobicContact CD1-CD2 3.7Å; L62-L95 HydrophobicContact CD1-CD1 4.45Å; L62-D96 CarbonylContact C-O 3.59Å; L62-D96 VanDerWaalsContact C-O 3.31Å; L62-D96 WeakPolarHBondContact CA-O 3.27Å; L62-D96 PolarHBondContact N-O 2.9Å; L62-L97 HydrophobicContact CB-CD2 3.91Å; L62-L97 HydrophobicContact CD1-CD2 4.19Å; L62-N100 PolarHBondContact O-ND2 3.06Å
63C92.6Very high85.3Confident15 Ų1564.2 Ų64.210%0.10132%0.321CS..  trans-72.8123.7-176.4-540000112.1K61 N65 N66 A71 R98K61-C63 VanDerWaalsContact C-N 3.27Å; K61-C63 PolarHBondContact O-N 3.16Å; C63-N65 PolarHBondContact O-N 2.91Å; C63-N66 PolarHBondContact O-N 3.19Å; C63-A71 WeakPolarHBondContact O-CB 3.34Å; C63-R98 WeakPolarHBondContact CA-O 3.35Å; C63-R98 HydrophobicContact CB-CG 3.9Å
64G91Very high86.5Confident6 Ų656.3 Ų56.36%0.06228%0.279CS..THydrogen-bonded Turntrans-73.9-6.6-177.900000115.5L62 R98 Y99 N100L62-G64 PolarHBondContact O-N 2.96Å; G64-R98 PolarHBondContact N-O 3.39Å; G64-Y99 WeakPolarHBondContact CA-O 3.43Å; G64-N100 VanDerWaalsContact CA-OD1 3.31Å; G64-N100 WeakPolarHBondContact CA-OD1 3.14Å
65N86.8Confident87.6Confident40 Ų4053.1 Ų53.121%0.21426%0.264CS..THydrogen-bonded Turntrans-105.810.6178.770-27.5000114.2C63 H67 Y99C63-N65 PolarHBondContact O-N 2.91Å; N65-H67 VanDerWaalsContact C-N 3.32Å; N65-H67 PolarHBondContact O-N 2.82Å; N65-Y99 HydrophobicContact CB-CD2 3.91Å; N65-Y99 HydrophobicContact CB-CG 3.83Å; N65-Y99 WeakPolarHBondContact ND2-CD2 3.11Å; N65-Y99 VanDerWaalsContact ND2-CE2 3.28Å; N65-Y99 WeakPolarHBondContact ND2-CE2 3.42Å
66N81.3Confident88.7Confident54 Ų5453.7 Ų53.729%0.28927%0.27SS..  trans-84.972-178.1-161.4-9.2000112.2C63 H68 L69 A71C63-N66 PolarHBondContact O-N 3.19Å; N66-H68 PolarHBondContact O-N 2.96Å; N66-H68 VanDerWaalsContact O-N 3.15Å; N66-L69 WeakPolarHBondContact ND2-CD1 3.48Å; N66-L69 PolarHBondContact O-N 2.74Å; N66-A71 HydrophobicContact CB-CB 4.02Å; N66-A71 WeakPolarHBondContact O-CB 3.36Å; N66-A71 PolarHBondContact O-N 3.07Å
67H79.9Confident89.9Confident128 Ų12851.3 Ų51.359%0.59327%0.266SS*.G310 helixtrans-58.1-28.9-176.8-61.7-59.9000113.7N65 L69 D70 F413N65-H67 VanDerWaalsContact C-N 3.32Å; N65-H67 PolarHBondContact O-N 2.82Å; H67-L69 PolarHBondContact O-N 3.43Å; H67-D70 PolarHBondContact O-N 2.76Å; H67-F413 AromaticContact CD2-CE1 3.96Å
68H80.8Confident90.6Very high167 Ų16750.9 Ų50.977%0.77326%0.262SS*.G310 helixtrans-66.9-19.1176.5-65.3-61.1000113.6N66N66-H68 PolarHBondContact O-N 2.96Å; N66-H68 VanDerWaalsContact O-N 3.15Å
69L83.9Confident91.1Very high43 Ų4350.8 Ų50.823%0.22526%0.262CS..G310 helixtrans-105.912.9177.8-62.7-172.1000113.5F37 K40 I41 M44 N66 H67 A71F37-L69 HydrophobicContact CE2-CB 4.5Å; K40-L69 PolarHBondContact NZ-O 2.87Å; I41-L69 HydrophobicContact CD1-CD1 3.71Å; M44-L69 HydrophobicContact CE-CD1 3.93Å; M44-L69 HydrophobicContact CE-CD2 3.76Å; M44-L69 HydrophobicContact SD-CD1 4.46Å; M44-L69 HydrophobicContact SD-CD2 4.36Å; N66-L69 WeakPolarHBondContact ND2-CD1 3.48Å; N66-L69 PolarHBondContact O-N 2.74Å; H67-L69 PolarHBondContact O-N 3.43Å; L69-A71 VanDerWaalsContact C-N 3.3Å
70D85Confident91.6Very high128 Ų12850.5 Ų50.568%0.68427%0.269SS*.THydrogen-bonded Turntrans58.441.4-172.1-47.2-62000111.9K40 H67 I72K40-D70 IonicContact NZ-OD2 3.23Å; H67-D70 PolarHBondContact O-N 2.76Å; D70-I72 PolarHBondContact O-N 3.07Å
71A85.3Confident91.7Very high22 Ų2251.3 Ų51.318%0.18227%0.274CS..  trans-55.6138.4-17800000112.3F37 C63 N66 L69F37-A71 HydrophobicContact CE2-CB 4.05Å; F37-A71 HydrophobicContact CZ-CB 4.07Å; C63-A71 WeakPolarHBondContact O-CB 3.34Å; N66-A71 HydrophobicContact CB-CB 4.02Å; N66-A71 WeakPolarHBondContact O-CB 3.36Å; N66-A71 PolarHBondContact O-N 3.07Å; L69-A71 VanDerWaalsContact C-N 3.3Å
72I91.6Very high92Very high60 Ų6047.5 Ų47.531%0.30826%0.257SS..  trans-118.1138.2170.2-168.7171.5000107.8P33 A34 F37 D70 L74P33-I72 HydrophobicContact CB-CD1 3.7Å; A34-I72 HydrophobicContact CB-CG2 3.61Å; F37-I72 HydrophobicContact CB-CG2 3.74Å; F37-I72 HydrophobicContact CD1-CG2 4.05Å; F37-I72 HydrophobicContact CG-CG2 4Å; D70-I72 PolarHBondContact O-N 3.07Å; I72-L74 WeakPolarHBondContact O-CD1 3.38Å; I72-L74 PolarHBondContact O-N 3.13Å
73Q95.4Very high92.2Very high87 Ų8748 Ų4841%0.40726%0.26SS..  trans-73.9117.1-178.7-62.2-177.9-7900109.4Y99 N100 F101Q73-Y99 PolarHBondContact NE2-O 2.86Å; Q73-N100 WeakPolarHBondContact CA-OD1 3.44Å; Q73-F101 HydrophobicContact CB-CD2 3.76Å; Q73-F101 HydrophobicContact CB-CE2 4.04Å; Q73-F101 VanDerWaalsContact CD-CE2 3.4Å; Q73-F101 HydrophobicContact CG-CD2 4.49Å; Q73-F101 HydrophobicContact CG-CE2 4.34Å
74L97.9Very high92.4Very high0 Ų051.7 Ų51.70%028%0.277CS..  trans-64.2152.9173.7-80.863.2000110A34 F37 I38 L62 I72 D78 L97 N100 F101 I102A34-L74 HydrophobicContact CB-CD1 4.03Å; A34-L74 HydrophobicContact CB-CG 4.13Å; F37-L74 HydrophobicContact CD1-CD1 4Å; F37-L74 HydrophobicContact CE1-CD1 4.05Å; I38-L74 HydrophobicContact CD1-CD2 3.88Å; I38-L74 HydrophobicContact CD1-CG 4.09Å; I38-L74 HydrophobicContact CG1-CD1 4.35Å; I38-L74 HydrophobicContact CG1-CD2 4.1Å; I38-L74 HydrophobicContact CG1-CG 4.4Å; L62-L74 HydrophobicContact CB-CD2 4.23Å; L62-L74 HydrophobicContact CD1-CD2 4.19Å; I72-L74 WeakPolarHBondContact O-CD1 3.38Å; I72-L74 PolarHBondContact O-N 3.13Å; L74-D78 WeakPolarHBondContact CA-OD2 3.49Å; L74-D78 HydrophobicContact CB-CB 4.28Å; L74-D78 HydrophobicContact CD2-CB 4.38Å; L74-D78 HydrophobicContact CG-CB 4.1Å; L74-L97 HydrophobicContact CD2-CD2 3.92Å; L74-N100 HydrophobicContact CB-CB 4.15Å; L74-N100 PolarHBondContact N-OD1 3.02Å; L74-F101 CarbonylContact O-C 3.48Å; L74-F101 WeakPolarHBondContact O-CA 3.33Å; L74-F101 PolarHBondContact O-N 3.04Å; L74-I102 HydrophobicContact CB-CD1 4.1Å
75T98.2Very high92.8Very high48 Ų4851.4 Ų51.429%0.29428%0.275SS..BIsolated β-bridgetrans-123.9176.4173.465.50000109.9V77 D78 F101T75-V77 PolarHBondContact O-N 3.45Å; T75-V77 VanDerWaalsContact O-N 3.09Å; T75-V77 VanDerWaalsContact OG1-CG2 3.31Å; T75-V77 WeakPolarHBondContact OG1-CG2 3.47Å; T75-D78 PolarHBondContact N-OD2 3.4Å; T75-D78 WeakPolarHBondContact O-CB 3.41Å; T75-D78 PolarHBondContact O-N 3.49Å; T75-D78 PolarHBondContact OG1-OD2 3.21Å; T75-F101 WeakPolarHBondContact CA-O 3.45Å; T75-F101 HydrophobicContact CG2-CB 4.24Å
76S98Very high93.3Very high29 Ų2949.8 Ų49.820%0.20327%0.266CS..G310 helixtrans-55.5-26175.857.80000114.1D78 L79 P80 I109S76-D78 VanDerWaalsContact C-N 3.26Å; S76-D78 PolarHBondContact O-N 3.32Å; S76-L79 PolarHBondContact O-N 2.84Å; S76-P80 VanDerWaalsContact O-CD 3.28Å; S76-P80 WeakPolarHBondContact O-CD 3.42Å; S76-I109 WeakPolarHBondContact O-CD1 3.14Å
77V97.8Very high94.1Very high85 Ų8550.1 Ų50.152%0.51527%0.272SS..G310 helixtrans-71.5-20.7179.7-44.40000113.3T32 T75 L79T32-V77 HydrophobicContact CG2-CG2 4.03Å; T75-V77 PolarHBondContact O-N 3.45Å; T75-V77 VanDerWaalsContact O-N 3.09Å; T75-V77 VanDerWaalsContact OG1-CG2 3.31Å; T75-V77 WeakPolarHBondContact OG1-CG2 3.47Å; V77-L79 VanDerWaalsContact C-N 3.35Å
78D98.2Very high94.9Very high4 Ų448.7 Ų48.72%0.02127%0.269CS..G310 helixtrans-81.8-18.2-179.1-59.9-66.7000112.1T32 A34 I38 L74 T75 S76 P81 L82T32-D78 WeakPolarHBondContact CB-OD1 3.16Å; T32-D78 WeakPolarHBondContact CG2-OD1 3.09Å; T32-D78 PolarHBondContact OG1-OD1 3.17Å; A34-D78 WeakPolarHBondContact CB-OD1 3.08Å; I38-D78 HydrophobicContact CD1-CB 4.17Å; L74-D78 WeakPolarHBondContact CA-OD2 3.49Å; L74-D78 HydrophobicContact CB-CB 4.28Å; L74-D78 HydrophobicContact CD2-CB 4.38Å; L74-D78 HydrophobicContact CG-CB 4.1Å; T75-D78 PolarHBondContact N-OD2 3.4Å; T75-D78 WeakPolarHBondContact O-CB 3.41Å; T75-D78 PolarHBondContact O-N 3.49Å; T75-D78 PolarHBondContact OG1-OD2 3.21Å; S76-D78 VanDerWaalsContact C-N 3.26Å; S76-D78 PolarHBondContact O-N 3.32Å; D78-P81 WeakPolarHBondContact O-CG 3.27Å; D78-L82 WeakPolarHBondContact O-CB 3.42Å
79L98.4Very high95.6Very high0 Ų042.7 Ų42.70%024%0.24CC..Hα-helixtrans-78.1-40.5-172.8-70.8-177.5000115.7S76 V77 L82 C83 L97 I102 G106 I109 L110S76-L79 PolarHBondContact O-N 2.84Å; V77-L79 VanDerWaalsContact C-N 3.35Å; L79-L82 HydrophobicContact CD2-CD2 3.89Å; L79-L82 WeakPolarHBondContact O-CB 3.03Å; L79-L82 PolarHBondContact O-N 3.43Å; L79-L82 VanDerWaalsContact O-N 3.13Å; L79-C83 WeakPolarHBondContact O-CB 3.5Å; L79-C83 PolarHBondContact O-N 2.97Å; L79-C83 PolarHBondContact O-SG 2.99Å; L79-C83 VanDerWaalsContact O-SG 3.4Å; L79-L97 HydrophobicContact CD2-CD1 4.19Å; L79-I102 HydrophobicContact CD1-CD1 3.91Å; L79-I102 HydrophobicContact CD1-CG2 3.71Å; L79-I102 HydrophobicContact CD2-CD1 4.02Å; L79-I102 HydrophobicContact CG-CD1 3.96Å; L79-G106 VanDerWaalsContact CD1-CA 3.45Å; L79-G106 WeakPolarHBondContact CD1-O 3.39Å; L79-I109 HydrophobicContact CB-CB 4.35Å; L79-I109 HydrophobicContact CB-CD1 4.39Å; L79-I109 HydrophobicContact CB-CG2 3.9Å; L79-L110 HydrophobicContact CD1-CD1 4.09Å; L79-L110 HydrophobicContact CD1-CD2 4.34Å; L79-L110 HydrophobicContact CD1-CG 3.81Å; L79-L110 HydrophobicContact CD2-CD2 4.24Å
80P98.3Very high96.1Very high65 Ų6542.8 Ų42.842%0.42224%0.244SC..Hα-helixtrans-54.2-51.4178.4-25.733.4000114S76 L82 M84 I109S76-P80 VanDerWaalsContact O-CD 3.28Å; S76-P80 WeakPolarHBondContact O-CD 3.42Å; P80-L82 VanDerWaalsContact C-N 3.3Å; P80-L82 PolarHBondContact O-N 2.69Å; P80-M84 VanDerWaalsContact O-CB 3.26Å; P80-M84 WeakPolarHBondContact O-CB 3.38Å; P80-M84 PolarHBondContact O-N 2.72Å; P80-I109 HydrophobicContact CG-CD1 3.9Å; P80-I109 HydrophobicContact CG-CG2 4.33Å
81P98.3Very high96.5Very high16 Ų1636.8 Ų36.810%0.10421%0.211CC..Hα-helixtrans-67.5-31.7177.327.3-34.4000112.3Y23 C26 L27 D78 A85Y23-P81 HydrophobicContact CD2-CB 4.38Å; Y23-P81 HydrophobicContact CE2-CB 3.94Å; Y23-P81 HydrophobicContact CE2-CG 4.08Å; C26-P81 HydrophobicContact CB-CB 4.04Å; C26-P81 WeakPolarHBondContact CB-O 3.36Å; L27-P81 HydrophobicContact CD2-CB 3.91Å; L27-P81 HydrophobicContact CD2-CG 3.82Å; L27-P81 HydrophobicContact CG-CB 4.37Å; D78-P81 WeakPolarHBondContact O-CG 3.27Å; P81-A85 WeakPolarHBondContact O-CB 3.42Å; P81-A85 PolarHBondContact O-N 3.05Å
82L98.3Very high97Very high0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-65.6-57176.3176.662.6000111.4Y23 I38 M42 L60 L62 D78 L79 P80 M84 A85 L86Y23-L82 HydrophobicContact CE2-CB 4.25Å; I38-L82 HydrophobicContact CG2-CD1 4.3Å; M42-L82 HydrophobicContact CE-CD1 3.46Å; M42-L82 VanDerWaalsContact CE-CD1 3.46Å; L60-L82 HydrophobicContact CD2-CD1 4.12Å; L62-L82 HydrophobicContact CD1-CD1 4.14Å; L62-L82 HydrophobicContact CD1-CD2 3.7Å; D78-L82 WeakPolarHBondContact O-CB 3.42Å; L79-L82 HydrophobicContact CD2-CD2 3.89Å; L79-L82 WeakPolarHBondContact O-CB 3.03Å; L79-L82 PolarHBondContact O-N 3.43Å; L79-L82 VanDerWaalsContact O-N 3.13Å; P80-L82 VanDerWaalsContact C-N 3.3Å; P80-L82 PolarHBondContact O-N 2.69Å; L82-M84 VanDerWaalsContact C-N 3.26Å; L82-M84 PolarHBondContact O-N 3.45Å; L82-A85 WeakPolarHBondContact O-CB 3.3Å; L82-A85 PolarHBondContact O-N 3.09Å; L82-A85 VanDerWaalsContact O-N 3.08Å; L82-L86 HydrophobicContact CD1-CD1 4.28Å; L82-L86 HydrophobicContact CD1-CG 4.29Å; L82-L86 HydrophobicContact CG-CD1 4.19Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 2.88Å
83C98.4Very high97.1Very high10 Ų1033.8 Ų33.87%0.06819%0.193CC..Hα-helixtrans-58.9-38.8179-67.50000111.5L79 L86 S87 F113L79-C83 WeakPolarHBondContact O-CB 3.5Å; L79-C83 PolarHBondContact O-N 2.97Å; L79-C83 PolarHBondContact O-SG 2.99Å; L79-C83 VanDerWaalsContact O-SG 3.4Å; C83-L86 PolarHBondContact O-N 3.15Å; C83-S87 PolarHBondContact O-N 2.87Å; C83-S87 PolarHBondContact O-OG 3.43Å; C83-S87 VanDerWaalsContact O-OG 3.07Å; C83-F113 HydrophobicContact CB-CB 4.01Å; C83-F113 HydrophobicContact CB-CD2 4.18Å; C83-F113 HydrophobicContact CB-CG 4.19Å
84M98.2Very high97.1Very high94 Ų9430.5 Ų30.546%0.46318%0.178SC..Hα-helixtrans-62.5-43.4175.1-171.5178.6-176.300111.8C26 P80 L82 S87 L88C26-M84 HydrophobicContact CB-CB 4.41Å; C26-M84 HydrophobicContact CB-SD 4.33Å; P80-M84 VanDerWaalsContact O-CB 3.26Å; P80-M84 WeakPolarHBondContact O-CB 3.38Å; P80-M84 PolarHBondContact O-N 2.72Å; L82-M84 VanDerWaalsContact C-N 3.26Å; L82-M84 PolarHBondContact O-N 3.45Å; M84-S87 PolarHBondContact O-N 2.89Å; M84-L88 HydrophobicContact CE-CD1 4.41Å; M84-L88 HydrophobicContact CG-CD1 4.25Å; M84-L88 WeakPolarHBondContact O-CG 3.43Å; M84-L88 PolarHBondContact O-N 3.3Å
85A98.2Very high97Very high0 Ų030.5 Ų30.50%018%0.178CC..Hα-helixtrans-64.6-42.3177.200000112L19 T22 Y23 P81 L82 S87 L88 K89L19-A85 HydrophobicContact CD1-CB 4.1Å; T22-A85 HydrophobicContact CG2-CB 4.32Å; Y23-A85 HydrophobicContact CD2-CB 4.3Å; P81-A85 WeakPolarHBondContact O-CB 3.42Å; P81-A85 PolarHBondContact O-N 3.05Å; L82-A85 WeakPolarHBondContact O-CB 3.3Å; L82-A85 PolarHBondContact O-N 3.09Å; L82-A85 VanDerWaalsContact O-N 3.08Å; A85-S87 VanDerWaalsContact C-N 3.34Å; A85-S87 PolarHBondContact O-N 2.93Å; A85-L88 PolarHBondContact O-N 2.99Å; A85-K89 PolarHBondContact O-N 3.28Å
86L97.8Very high96.8Very high5 Ų529 Ų293%0.02617%0.168CC..Hα-helixtrans-62.1-40.1176.1-65.6178.3000112L19 L60 L82 C83 L88 K89 P90 I92 L95 F113L19-L86 HydrophobicContact CD1-CD2 4.05Å; L19-L86 HydrophobicContact CD2-CD2 4.08Å; L60-L86 HydrophobicContact CD2-CD2 4.12Å; L82-L86 HydrophobicContact CD1-CD1 4.28Å; L82-L86 HydrophobicContact CD1-CG 4.29Å; L82-L86 HydrophobicContact CG-CD1 4.19Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 2.88Å; C83-L86 PolarHBondContact O-N 3.15Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 3.35Å; L86-K89 CarbonylContact O-C 3.49Å; L86-K89 PolarHBondContact O-N 3.26Å; L86-P90 WeakPolarHBondContact O-CA 3.31Å; L86-P90 VanDerWaalsContact O-N 3.13Å; L86-I92 HydrophobicContact CD2-CB 4.23Å; L86-I92 HydrophobicContact CD2-CG1 3.42Å; L86-I92 VanDerWaalsContact CD2-CG1 3.42Å; L86-L95 HydrophobicContact CD1-CD2 4.3Å; L86-F113 HydrophobicContact CB-CE2 3.69Å; L86-F113 HydrophobicContact CB-CZ 3.82Å; L86-F113 HydrophobicContact CD1-CE1 4.37Å; L86-F113 HydrophobicContact CD1-CZ 4.09Å
87S97.3Very high96.8Very high62 Ų6227.6 Ų27.643%0.43416%0.158SC..Hα-helixtrans-67.3-31.9174.9-640000113.4C83 M84 A85C83-S87 PolarHBondContact O-N 2.87Å; C83-S87 PolarHBondContact O-OG 3.43Å; C83-S87 VanDerWaalsContact O-OG 3.07Å; M84-S87 PolarHBondContact O-N 2.89Å; A85-S87 VanDerWaalsContact C-N 3.34Å; A85-S87 PolarHBondContact O-N 2.93Å
88L97.4Very high96.6Very high98 Ų9825 Ų2551%0.51314%0.139SC..Hα-helixtrans-80.6-26.1177.1-71.3171.8000112.8T22 M84 A85 L86 P90T22-L88 HydrophobicContact CG2-CB 3.78Å; T22-L88 HydrophobicContact CG2-CD1 3.8Å; T22-L88 HydrophobicContact CG2-CG 4.46Å; M84-L88 HydrophobicContact CE-CD1 4.41Å; M84-L88 HydrophobicContact CG-CD1 4.25Å; M84-L88 WeakPolarHBondContact O-CG 3.43Å; M84-L88 PolarHBondContact O-N 3.3Å; A85-L88 PolarHBondContact O-N 2.99Å; L86-L88 VanDerWaalsContact C-N 3.34Å; L86-L88 PolarHBondContact O-N 3.35Å; L88-P90 VanDerWaalsContact C-CD 3.49Å
89K96.3Very high96.5Very high41 Ų4128.4 Ų28.418%0.17815%0.153CC..SBendtrans-129.768.6179.8-63.4-66.2166.2-176.20110N15 E18 L19 T22 A85 L86 C91N15-K89 HydrophobicContact CB-CB 4.26Å; N15-K89 HydrophobicContact CB-CD 4.41Å; E18-K89 HydrophobicContact CB-CD 4.19Å; E18-K89 VanDerWaalsContact OE2-CE 3.32Å; E18-K89 WeakPolarHBondContact OE2-CE 3.33Å; E18-K89 IonicContact OE2-NZ 3.91Å; E18-K89 PolarHBondContact OE2-NZ 3.41Å; L19-K89 HydrophobicContact CD1-CB 3.9Å; T22-K89 HydrophobicContact CG2-CG 4.04Å; T22-K89 WeakPolarHBondContact OG1-CE 3.38Å; T22-K89 WeakPolarHBondContact OG1-CG 3.16Å; A85-K89 PolarHBondContact O-N 3.28Å; L86-K89 CarbonylContact O-C 3.49Å; L86-K89 PolarHBondContact O-N 3.26Å; K89-C91 PolarHBondContact O-N 3.39Å; K89-C91 VanDerWaalsContact O-N 3.09Å; K89-C91 PolarHBondContact O-SG 3.34Å
90P93.7Very high96.4Very high45 Ų4528.5 Ų28.529%0.29215%0.153SC..  trans-64.6114.4-179.728-35000109.2N15 L86 L88 L119N15-P90 PolarHBondContact ND2-O 3.21Å; L86-P90 WeakPolarHBondContact O-CA 3.31Å; L86-P90 VanDerWaalsContact O-N 3.13Å; L88-P90 VanDerWaalsContact C-CD 3.49Å; P90-L119 VanDerWaalsContact C-CD1 3.45Å; P90-L119 HydrophobicContact CB-CD1 3.61Å
91C94.4Very high96.3Very high1 Ų129.6 Ų29.61%0.00715%0.151CC..  trans-157-27.6-179.756.70000113.1N12 N15 I58 K89N12-C91 HydrophobicContact CB-CB 4.33Å; N12-C91 WeakPolarHBondContact O-CB 3.44Å; N15-C91 HydrophobicContact CB-CB 3.76Å; I58-C91 WeakPolarHBondContact CB-O 3.14Å; I58-C91 HydrophobicContact CD1-CB 4.12Å; K89-C91 PolarHBondContact O-N 3.39Å; K89-C91 VanDerWaalsContact O-N 3.09Å; K89-C91 PolarHBondContact O-SG 3.34Å
92I94.6Very high96.3Very high7 Ų728.8 Ų28.84%0.03615%0.146CC..  trans-77.3123.4-176-53.8-51.4000110.7L16 L19 I58 L60 L86 M94 L95 L120L16-I92 HydrophobicContact CD1-CD1 4.08Å; L19-I92 HydrophobicContact CD2-CD1 4.07Å; L19-I92 HydrophobicContact CD2-CG1 4.29Å; I58-I92 HydrophobicContact CB-CD1 4.47Å; I58-I92 HydrophobicContact CG2-CD1 3.48Å; I58-I92 VanDerWaalsContact CG2-CD1 3.48Å; L60-I92 HydrophobicContact CB-CD1 3.93Å; L60-I92 HydrophobicContact CB-CG1 4.17Å; L60-I92 HydrophobicContact CB-CG2 3.93Å; L60-I92 HydrophobicContact CD2-CG1 4.33Å; L86-I92 HydrophobicContact CD2-CB 4.23Å; L86-I92 HydrophobicContact CD2-CG1 3.42Å; L86-I92 VanDerWaalsContact CD2-CG1 3.42Å; I92-M94 VanDerWaalsContact CG2-O 3.24Å; I92-M94 WeakPolarHBondContact CG2-O 3.39Å; I92-L95 HydrophobicContact CG2-CB 4.43Å; I92-L120 HydrophobicContact CG2-CD1 4.27Å
93T93.8Very high96.3Very high13 Ų1332.8 Ų32.88%0.0816%0.164CC..SBendtrans-100.6-19.7171.957.60000112.1A57 I58 L119 E121 E122A57-T93 WeakPolarHBondContact CA-OG1 3.25Å; A57-T93 VanDerWaalsContact CB-OG1 3.24Å; A57-T93 WeakPolarHBondContact CB-OG1 3.45Å; I58-T93 PolarHBondContact N-OG1 3.37Å; I58-T93 VanDerWaalsContact N-OG1 3.16Å; I58-T93 PolarHBondContact O-N 2.85Å; I58-T93 PolarHBondContact O-OG1 3.43Å; T93-L119 WeakPolarHBondContact CA-O 3.43Å; T93-E121 PolarHBondContact O-N 3.32Å; T93-E122 PolarHBondContact O-N 3.17Å
94M94.6Very high96.3Very high18 Ų1833.1 Ų33.19%0.08917%0.165CC..EExtended strand (participates in β ladder)trans-134120.7177.5-51.6-155.9-164.900112A57 I58 Y59 L60 I92 E122A57-M94 HydrophobicContact CB-CE 3.93Å; I58-M94 PolarHBondContact O-N 3.38Å; Y59-M94 WeakPolarHBondContact CA-O 3.43Å; Y59-M94 HydrophobicContact CD1-CB 3.67Å; Y59-M94 HydrophobicContact CD1-CG 4.07Å; Y59-M94 HydrophobicContact CD1-SD 3.84Å; Y59-M94 HydrophobicContact CE1-CB 3.97Å; Y59-M94 HydrophobicContact CE1-CE 4Å; Y59-M94 HydrophobicContact CE1-CG 3.87Å; Y59-M94 HydrophobicContact CE1-SD 3.07Å; Y59-M94 WeakPolarHBondContact CE1-SD 3.33Å; Y59-M94 HydrophobicContact CE2-CE 4.35Å; Y59-M94 HydrophobicContact CE2-SD 4.31Å; Y59-M94 HydrophobicContact CG-CB 4.15Å; Y59-M94 WeakPolarHBondContact OH-CE 3.42Å; Y59-M94 PolarHBondContact OH-SD 2.94Å; Y59-M94 VanDerWaalsContact OH-SD 3.39Å; L60-M94 PolarHBondContact N-O 2.82Å; I92-M94 VanDerWaalsContact CG2-O 3.24Å; I92-M94 WeakPolarHBondContact CG2-O 3.39Å; M94-E122 WeakPolarHBondContact CA-O 3.4Å; M94-E122 HydrophobicContact CB-CB 3.99Å; M94-E122 HydrophobicContact CG-CB 3.73Å; M94-E122 HydrophobicContact SD-CB 3.82Å; M94-E122 HydrophobicContact SD-CG 4.43Å
95L96.2Very high96.4Very high0 Ų033 Ų330%016%0.163CC..EExtended strand (participates in β ladder)trans-114.8113.3180179.959.8000110L60 L62 L86 I92 L97 L110 L120 E122 L123 N124L60-L95 HydrophobicContact CB-CD1 4.12Å; L60-L95 HydrophobicContact CD2-CD1 4.08Å; L60-L95 HydrophobicContact CG-CD1 4.13Å; L62-L95 HydrophobicContact CD1-CD1 4.45Å; L86-L95 HydrophobicContact CD1-CD2 4.3Å; I92-L95 HydrophobicContact CG2-CB 4.43Å; L95-L97 HydrophobicContact CD1-CG 4.21Å; L95-L97 HydrophobicContact CD2-CD1 3.87Å; L95-L97 HydrophobicContact CD2-CG 4.4Å; L95-L97 HydrophobicContact CG-CD1 4.01Å; L95-L97 HydrophobicContact CG-CG 4.01Å; L95-L110 HydrophobicContact CD2-CD2 4.3Å; L95-L120 HydrophobicContact CB-CD1 3.61Å; L95-L120 HydrophobicContact CB-CD2 4.34Å; L95-E122 PolarHBondContact N-O 2.76Å; L95-L123 HydrophobicContact CB-CD1 4.26Å; L95-L123 HydrophobicContact CD2-CD1 4.18Å; L95-L123 HydrophobicContact CG-CD1 4.28Å; L95-N124 PolarHBondContact O-N 3.37Å
96D95.3Very high96.4Very high15 Ų1533 Ų338%0.0816%0.163CC..EExtended strand (participates in β ladder)trans-107.3106.9179.8-164.7-12.5000111.2L60 K61 L62 R98 N124L60-D96 PolarHBondContact O-N 3.15Å; K61-D96 HydrophobicContact CG-CB 4.4Å; L62-D96 CarbonylContact C-O 3.59Å; L62-D96 VanDerWaalsContact C-O 3.31Å; L62-D96 WeakPolarHBondContact CA-O 3.27Å; L62-D96 PolarHBondContact N-O 2.9Å; D96-R98 VanDerWaalsContact CG-NE 3.28Å; D96-R98 WeakPolarHBondContact OD1-CB 3.48Å; D96-R98 WeakPolarHBondContact OD1-CG 3.08Å; D96-R98 IonicContact OD1-CZ 2.68Å; D96-R98 PolarHBondContact OD1-N 3.2Å; D96-R98 VanDerWaalsContact OD1-N 3.16Å; D96-R98 IonicContact OD1-NE 2.76Å; D96-R98 PolarHBondContact OD1-NE 3.01Å; D96-R98 IonicContact OD1-NH2 2.6Å; D96-R98 IonicContact OD2-CZ 2.59Å; D96-R98 IonicContact OD2-NE 3.24Å; D96-R98 PolarHBondContact OD2-NE 3.02Å; D96-R98 IonicContact OD2-NH2 3.89Å; D96-R98 PolarHBondContact OD2-NH2 2.89Å; D96-N124 HydrophobicContact CB-CB 4.39Å; D96-N124 WeakPolarHBondContact OD1-CB 3.5Å; D96-N124 PolarHBondContact OD1-ND2 2.79Å
97L96.7Very high96.4Very high0 Ų032.8 Ų32.80%016%0.162CC..  trans-112.921.9-179.2-70.6167.7000111.6L62 L74 L79 L95 N100 L110 N124 L125 N128L62-L97 HydrophobicContact CB-CD2 3.91Å; L62-L97 HydrophobicContact CD1-CD2 4.19Å; L74-L97 HydrophobicContact CD2-CD2 3.92Å; L79-L97 HydrophobicContact CD2-CD1 4.19Å; L95-L97 HydrophobicContact CD1-CG 4.21Å; L95-L97 HydrophobicContact CD2-CD1 3.87Å; L95-L97 HydrophobicContact CD2-CG 4.4Å; L95-L97 HydrophobicContact CG-CD1 4.01Å; L95-L97 HydrophobicContact CG-CG 4.01Å; L97-N100 VanDerWaalsContact C-ND2 3.27Å; L97-N100 PolarHBondContact O-ND2 2.86Å; L97-L110 HydrophobicContact CD1-CD1 4.01Å; L97-L110 HydrophobicContact CD1-CD2 4.11Å; L97-N124 CarbonylContact C-O 3.5Å; L97-N124 WeakPolarHBondContact CA-O 3.16Å; L97-N124 PolarHBondContact N-O 2.79Å; L97-L125 HydrophobicContact CB-CD2 4.07Å; L97-L125 HydrophobicContact CD1-CD2 4.1Å; L97-N128 PolarHBondContact O-ND2 2.91Å; L97-N128 PolarHBondContact O-OD1 3.24Å
98R95Very high96.5Very high30 Ų3033.7 Ų33.711%0.11316%0.159CC..THydrogen-bonded Turntrans-59.2151.6-17868.117880.7-16416.3113.5C63 G64 D96 N100 N124 M126C63-R98 WeakPolarHBondContact CA-O 3.35Å; C63-R98 HydrophobicContact CB-CG 3.9Å; G64-R98 PolarHBondContact N-O 3.39Å; D96-R98 VanDerWaalsContact CG-NE 3.28Å; D96-R98 WeakPolarHBondContact OD1-CB 3.48Å; D96-R98 WeakPolarHBondContact OD1-CG 3.08Å; D96-R98 IonicContact OD1-CZ 2.68Å; D96-R98 PolarHBondContact OD1-N 3.2Å; D96-R98 VanDerWaalsContact OD1-N 3.16Å; D96-R98 IonicContact OD1-NE 2.76Å; D96-R98 PolarHBondContact OD1-NE 3.01Å; D96-R98 IonicContact OD1-NH2 2.6Å; D96-R98 IonicContact OD2-CZ 2.59Å; D96-R98 IonicContact OD2-NE 3.24Å; D96-R98 PolarHBondContact OD2-NE 3.02Å; D96-R98 IonicContact OD2-NH2 3.89Å; D96-R98 PolarHBondContact OD2-NH2 2.89Å; R98-N100 VanDerWaalsContact C-N 3.28Å; R98-N100 PolarHBondContact O-N 3.26Å; R98-N100 PolarHBondContact O-ND2 3.22Å; R98-N124 PolarHBondContact N-O 3.05Å; R98-N124 PolarHBondContact NE-ND2 3.29Å; R98-N124 PolarHBondContact NH2-ND2 3.03Å; R98-M126 CarbonylContact C-O 3.52Å; R98-M126 WeakPolarHBondContact CA-O 3.28Å; R98-M126 HydrophobicContact CB-CB 3.91Å; R98-M126 HydrophobicContact CB-CG 4.5Å
99Y94.5Very high96.6Very high77 Ų7730.8 Ų30.830%0.30214%0.144SC..THydrogen-bonded Turntrans58.931.7175.7-62.5-77000114.9G64 N65 Q73 M126 C127G64-Y99 WeakPolarHBondContact CA-O 3.43Å; N65-Y99 HydrophobicContact CB-CD2 3.91Å; N65-Y99 HydrophobicContact CB-CG 3.83Å; N65-Y99 WeakPolarHBondContact ND2-CD2 3.11Å; N65-Y99 VanDerWaalsContact ND2-CE2 3.28Å; N65-Y99 WeakPolarHBondContact ND2-CE2 3.42Å; Q73-Y99 PolarHBondContact NE2-O 2.86Å; Y99-M126 HydrophobicContact CE2-SD 3.99Å; Y99-M126 PolarHBondContact N-O 3.35Å; Y99-C127 VanDerWaalsContact CA-O 3.31Å; Y99-C127 WeakPolarHBondContact CA-O 3.33Å; Y99-C127 HydrophobicContact CD1-CB 3.53Å; Y99-C127 HydrophobicContact CE1-CB 3.69Å; Y99-C127 VanDerWaalsContact CE1-SG 3.57Å; Y99-C127 HydrophobicContact CG-CB 4.22Å
100N96.1Very high96.7Very high2 Ų228.9 Ų28.91%0.01114%0.136CC..SBendtrans-103.7-171.8172.9-70.5-57.4000110.9L62 G64 Q73 L74 L97 R98 I102 N128L62-N100 PolarHBondContact O-ND2 3.06Å; G64-N100 VanDerWaalsContact CA-OD1 3.31Å; G64-N100 WeakPolarHBondContact CA-OD1 3.14Å; Q73-N100 WeakPolarHBondContact CA-OD1 3.44Å; L74-N100 HydrophobicContact CB-CB 4.15Å; L74-N100 PolarHBondContact N-OD1 3.02Å; L97-N100 VanDerWaalsContact C-ND2 3.27Å; L97-N100 PolarHBondContact O-ND2 2.86Å; R98-N100 VanDerWaalsContact C-N 3.28Å; R98-N100 PolarHBondContact O-N 3.26Å; R98-N100 PolarHBondContact O-ND2 3.22Å; N100-I102 HydrophobicContact CB-CD1 4.33Å; N100-I102 HydrophobicContact CB-CG1 4.04Å; N100-N128 WeakPolarHBondContact CA-OD1 3.49Å; N100-N128 WeakPolarHBondContact CB-OD1 3.48Å; N100-N128 PolarHBondContact N-OD1 2.91Å; N100-N128 WeakPolarHBondContact O-CA 3.43Å; N100-N128 PolarHBondContact O-OD1 3.41Å
101F97.3Very high96.9Very high87 Ų8727.2 Ų27.238%0.38213%0.125SC..BIsolated β-bridgetrans-11747.5173.4-68-63.8000110.7Q73 L74 T75 K103Q73-F101 HydrophobicContact CB-CD2 3.76Å; Q73-F101 HydrophobicContact CB-CE2 4.04Å; Q73-F101 VanDerWaalsContact CD-CE2 3.4Å; Q73-F101 HydrophobicContact CG-CD2 4.49Å; Q73-F101 HydrophobicContact CG-CE2 4.34Å; L74-F101 CarbonylContact O-C 3.48Å; L74-F101 WeakPolarHBondContact O-CA 3.33Å; L74-F101 PolarHBondContact O-N 3.04Å; T75-F101 WeakPolarHBondContact CA-O 3.45Å; T75-F101 HydrophobicContact CG2-CB 4.24Å; F101-K103 VanDerWaalsContact C-N 3.29Å; F101-K103 PolarHBondContact O-N 3.19Å
102I98.4Very high97.1Very high0 Ų033.3 Ų33.30%015%0.153CC..  trans-60-41.1-179.2-65.2-52.8000111.3L74 L79 N100 G106 V107 L110 N128L74-I102 HydrophobicContact CB-CD1 4.1Å; L79-I102 HydrophobicContact CD1-CD1 3.91Å; L79-I102 HydrophobicContact CD1-CG2 3.71Å; L79-I102 HydrophobicContact CD2-CD1 4.02Å; L79-I102 HydrophobicContact CG-CD1 3.96Å; N100-I102 HydrophobicContact CB-CD1 4.33Å; N100-I102 HydrophobicContact CB-CG1 4.04Å; I102-G106 VanDerWaalsContact O-CA 3.27Å; I102-G106 WeakPolarHBondContact O-CA 3.47Å; I102-G106 PolarHBondContact O-N 2.87Å; I102-V107 HydrophobicContact CG2-CG2 4.28Å; I102-L110 HydrophobicContact CG2-CD1 4.14Å; I102-N128 HydrophobicContact CB-CB 4.22Å; I102-N128 WeakPolarHBondContact CB-OD1 3.48Å; I102-N128 WeakPolarHBondContact CG1-OD1 3.43Å; I102-N128 PolarHBondContact N-OD1 2.77Å
103K98.6Very high97.2Very high83 Ų8333.5 Ų33.536%0.36115%0.154SC..Hα-helixtrans56.2-174.9178.7-61.6179.8176.6-165.10113.3F101 E105 G106 V107 N128 D129F101-K103 VanDerWaalsContact C-N 3.29Å; F101-K103 PolarHBondContact O-N 3.19Å; K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 WeakPolarHBondContact CB-OE2 3.21Å; K103-E105 PolarHBondContact O-N 3.44Å; K103-G106 PolarHBondContact O-N 2.93Å; K103-V107 VanDerWaalsContact O-CG2 3.3Å; K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.01Å; K103-V107 VanDerWaalsContact O-N 3.09Å; K103-N128 PolarHBondContact N-O 3.06Å; K103-D129 WeakPolarHBondContact CE-OD2 3.3Å; K103-D129 HydrophobicContact CG-CB 4.16Å; K103-D129 IonicContact NZ-OD2 2.93Å
104D98.9Very high97.4Very high17 Ų1733 Ų339%0.09115%0.151CC..Hα-helixtrans-64.1-36.7-178.4-59.9-33.3000112.6V107 E108 T131 K133 G134D104-V107 PolarHBondContact O-N 3.24Å; D104-E108 PolarHBondContact O-N 3.47Å; D104-T131 PolarHBondContact OD1-N 3.05Å; D104-T131 PolarHBondContact OD1-OG1 2.92Å; D104-T131 PolarHBondContact OD2-OG1 3.35Å; D104-K133 HydrophobicContact CB-CB 4.39Å; D104-K133 HydrophobicContact CB-CD 4.38Å; D104-G134 VanDerWaalsContact CG-N 3.33Å; D104-G134 VanDerWaalsContact OD1-CA 3.25Å; D104-G134 WeakPolarHBondContact OD1-CA 3.31Å; D104-G134 PolarHBondContact OD1-N 3.38Å
105E98.7Very high97.5Very high92 Ų9236.6 Ų36.643%0.4317%0.17SC..Hα-helixtrans-65.2-40.5179.2-61.478-167.500111.6K103 V107 E108 I109K103-E105 VanDerWaalsContact C-N 3.32Å; K103-E105 WeakPolarHBondContact CB-OE2 3.21Å; K103-E105 PolarHBondContact O-N 3.44Å; E105-V107 VanDerWaalsContact C-N 3.35Å; E105-E108 WeakPolarHBondContact O-CB 3.33Å; E105-E108 PolarHBondContact O-N 3.44Å; E105-I109 WeakPolarHBondContact O-CD1 3.1Å; E105-I109 WeakPolarHBondContact O-CG1 3.48Å; E105-I109 PolarHBondContact O-N 2.93Å
106G98.7Very high97.4Very high0 Ų041.7 Ų41.70%020%0.201CC..Hα-helixtrans-70.7-34.9176.700000112.4L79 I102 K103 E108 I109 L110L79-G106 VanDerWaalsContact CD1-CA 3.45Å; L79-G106 WeakPolarHBondContact CD1-O 3.39Å; I102-G106 VanDerWaalsContact O-CA 3.27Å; I102-G106 WeakPolarHBondContact O-CA 3.47Å; I102-G106 PolarHBondContact O-N 2.87Å; K103-G106 PolarHBondContact O-N 2.93Å; G106-E108 VanDerWaalsContact C-N 3.32Å; G106-E108 PolarHBondContact O-N 2.99Å; G106-I109 PolarHBondContact O-N 3.14Å; G106-L110 WeakPolarHBondContact O-CG 3.44Å; G106-L110 PolarHBondContact O-N 3.1Å
107V98.8Very high97.4Very high0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-62.8-38.1173.7168.60000112.2I102 K103 D104 E105 I109 L110 C111 L125 I130 G134 F137 L138I102-V107 HydrophobicContact CG2-CG2 4.28Å; K103-V107 VanDerWaalsContact O-CG2 3.3Å; K103-V107 WeakPolarHBondContact O-CG2 3.44Å; K103-V107 PolarHBondContact O-N 3.01Å; K103-V107 VanDerWaalsContact O-N 3.09Å; D104-V107 PolarHBondContact O-N 3.24Å; E105-V107 VanDerWaalsContact C-N 3.35Å; V107-I109 VanDerWaalsContact C-N 3.31Å; V107-I109 PolarHBondContact O-N 3.46Å; V107-L110 PolarHBondContact O-N 3.2Å; V107-C111 PolarHBondContact O-N 3.38Å; V107-C111 PolarHBondContact O-SG 3.47Å; V107-L125 HydrophobicContact CG2-CD1 4.42Å; V107-I130 HydrophobicContact CG2-CD1 3.46Å; V107-I130 VanDerWaalsContact CG2-CD1 3.46Å; V107-I130 HydrophobicContact CG2-CG1 3.67Å; V107-I130 HydrophobicContact CG2-CG2 4.03Å; V107-G134 VanDerWaalsContact CG1-O 3.29Å; V107-G134 WeakPolarHBondContact CG1-O 3.42Å; V107-F137 HydrophobicContact CG1-CB 4.16Å; V107-L138 HydrophobicContact CG1-CD1 3.69Å; V107-L138 HydrophobicContact CG1-CD2 4.11Å; V107-L138 HydrophobicContact CG1-CG 3.43Å; V107-L138 VanDerWaalsContact CG1-CG 3.43Å; V107-L138 HydrophobicContact CG2-CD1 4.29Å
108E98.7Very high97.2Very high82 Ų8246.8 Ų46.838%0.38323%0.228SC..Hα-helixtrans-57.5-45.2174.3-170.8169.3-165.300111.4D104 E105 G106 C111 E112 F137D104-E108 PolarHBondContact O-N 3.47Å; E105-E108 WeakPolarHBondContact O-CB 3.33Å; E105-E108 PolarHBondContact O-N 3.44Å; G106-E108 VanDerWaalsContact C-N 3.32Å; G106-E108 PolarHBondContact O-N 2.99Å; E108-C111 WeakPolarHBondContact O-CB 3.35Å; E108-C111 PolarHBondContact O-N 3.12Å; E108-C111 VanDerWaalsContact O-N 3.16Å; E108-E112 PolarHBondContact O-N 3.08Å; E108-E112 VanDerWaalsContact O-N 3.12Å; E108-F137 HydrophobicContact CB-CD2 3.9Å; E108-F137 HydrophobicContact CB-CE2 3.86Å; E108-F137 HydrophobicContact CG-CD2 4.37Å; E108-F137 HydrophobicContact CG-CE2 4.11Å; E108-F137 HydrophobicContact CG-CZ 4.28Å
109I98.6Very high97.2Very high37 Ų3747.6 Ų47.619%0.1924%0.235CC..Hα-helixtrans-65.5-40.7177.6-58.7160.2000111.3S76 L79 P80 E105 G106 V107 C111 E112 F113S76-I109 WeakPolarHBondContact O-CD1 3.14Å; L79-I109 HydrophobicContact CB-CB 4.35Å; L79-I109 HydrophobicContact CB-CD1 4.39Å; L79-I109 HydrophobicContact CB-CG2 3.9Å; P80-I109 HydrophobicContact CG-CD1 3.9Å; P80-I109 HydrophobicContact CG-CG2 4.33Å; E105-I109 WeakPolarHBondContact O-CD1 3.1Å; E105-I109 WeakPolarHBondContact O-CG1 3.48Å; E105-I109 PolarHBondContact O-N 2.93Å; G106-I109 PolarHBondContact O-N 3.14Å; V107-I109 VanDerWaalsContact C-N 3.31Å; V107-I109 PolarHBondContact O-N 3.46Å; I109-C111 VanDerWaalsContact C-N 3.3Å; I109-C111 PolarHBondContact O-N 2.75Å; I109-E112 PolarHBondContact O-N 2.9Å; I109-F113 PolarHBondContact O-N 3.16Å; I109-F113 VanDerWaalsContact O-N 3.16Å
110L98.6Very high97.3Very high1 Ų144 Ų441%0.00522%0.221CC..Hα-helixtrans-63.6-36.3173.5-72.6169.8000111.8L79 L95 L97 I102 G106 V107 F113 L114 L125L79-L110 HydrophobicContact CD1-CD1 4.09Å; L79-L110 HydrophobicContact CD1-CD2 4.34Å; L79-L110 HydrophobicContact CD1-CG 3.81Å; L79-L110 HydrophobicContact CD2-CD2 4.24Å; L95-L110 HydrophobicContact CD2-CD2 4.3Å; L97-L110 HydrophobicContact CD1-CD1 4.01Å; L97-L110 HydrophobicContact CD1-CD2 4.11Å; I102-L110 HydrophobicContact CG2-CD1 4.14Å; G106-L110 WeakPolarHBondContact O-CG 3.44Å; G106-L110 PolarHBondContact O-N 3.1Å; V107-L110 PolarHBondContact O-N 3.2Å; L110-F113 WeakPolarHBondContact O-CB 3.37Å; L110-F113 PolarHBondContact O-N 3.36Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 VanDerWaalsContact O-CG 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.17Å; L110-L114 PolarHBondContact O-N 2.84Å; L110-L125 HydrophobicContact CD1-CD1 4.28Å; L110-L125 HydrophobicContact CD1-CD2 3.63Å
111C98.5Very high97.3Very high10 Ų1047.4 Ų47.47%0.06824%0.237CC..Hα-helixtrans-65.9-38.2176.7-68.20000112V107 E108 I109 F113 L114 N115V107-C111 PolarHBondContact O-N 3.38Å; V107-C111 PolarHBondContact O-SG 3.47Å; E108-C111 WeakPolarHBondContact O-CB 3.35Å; E108-C111 PolarHBondContact O-N 3.12Å; E108-C111 VanDerWaalsContact O-N 3.16Å; I109-C111 VanDerWaalsContact C-N 3.3Å; I109-C111 PolarHBondContact O-N 2.75Å; C111-F113 VanDerWaalsContact C-N 3.31Å; C111-F113 PolarHBondContact O-N 2.89Å; C111-L114 PolarHBondContact O-N 3.23Å; C111-N115 WeakPolarHBondContact O-CB 3.3Å; C111-N115 PolarHBondContact O-N 3.33Å; C111-N115 VanDerWaalsContact O-N 3.09Å; C111-N115 PolarHBondContact O-ND2 3.27Å; C111-N115 VanDerWaalsContact O-ND2 3.07Å; C111-N115 PolarHBondContact O-OD1 3.14Å
112E98Very high97.2Very high128 Ų12844.2 Ų44.260%0.59822%0.223SC*.Hα-helixtrans-60-43.6172.4-67.5-178.6174.100111.3E108 I109 N115E108-E112 PolarHBondContact O-N 3.08Å; E108-E112 VanDerWaalsContact O-N 3.12Å; I109-E112 PolarHBondContact O-N 2.9Å; E112-N115 PolarHBondContact O-N 2.89Å
113F97.8Very high97.1Very high11 Ų1144.2 Ų44.25%0.04822%0.223CC..Hα-helixtrans-63.2-50.7174.7172.9-107.6000112.3C83 L86 I109 L110 C111 N115 V116 D117 L120C83-F113 HydrophobicContact CB-CB 4.01Å; C83-F113 HydrophobicContact CB-CD2 4.18Å; C83-F113 HydrophobicContact CB-CG 4.19Å; L86-F113 HydrophobicContact CB-CE2 3.69Å; L86-F113 HydrophobicContact CB-CZ 3.82Å; L86-F113 HydrophobicContact CD1-CE1 4.37Å; L86-F113 HydrophobicContact CD1-CZ 4.09Å; I109-F113 PolarHBondContact O-N 3.16Å; I109-F113 VanDerWaalsContact O-N 3.16Å; L110-F113 WeakPolarHBondContact O-CB 3.37Å; L110-F113 PolarHBondContact O-N 3.36Å; C111-F113 VanDerWaalsContact C-N 3.31Å; C111-F113 PolarHBondContact O-N 2.89Å; F113-N115 PolarHBondContact O-N 2.88Å; F113-N115 VanDerWaalsContact O-N 3.12Å; F113-V116 VanDerWaalsContact O-CG2 3.23Å; F113-V116 WeakPolarHBondContact O-CG2 3.39Å; F113-V116 PolarHBondContact O-N 3.2Å; F113-D117 HydrophobicContact CD1-CB 4.31Å; F113-D117 HydrophobicContact CD2-CB 4.18Å; F113-D117 HydrophobicContact CE1-CB 3.9Å; F113-D117 HydrophobicContact CE2-CB 3.76Å; F113-D117 HydrophobicContact CG-CB 4.44Å; F113-D117 HydrophobicContact CZ-CB 3.61Å; F113-D117 VanDerWaalsContact CZ-CG 3.44Å; F113-D117 WeakPolarHBondContact CZ-OD1 3.38Å; F113-D117 VanDerWaalsContact O-CB 3.28Å; F113-D117 WeakPolarHBondContact O-CB 3.31Å; F113-D117 PolarHBondContact O-N 2.71Å; F113-L120 HydrophobicContact CE1-CD2 4.3Å
114L97.5Very high97Very high4 Ų440.3 Ų40.32%0.02121%0.206CC..Hα-helixtrans-59.1-25.7178.9-73.6173.5000113.6L110 C111 V116 L120 L123 L138 N145 L148L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 VanDerWaalsContact O-CG 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.17Å; L110-L114 PolarHBondContact O-N 2.84Å; C111-L114 PolarHBondContact O-N 3.23Å; L114-V116 VanDerWaalsContact C-N 3.33Å; L114-L120 HydrophobicContact CD2-CD2 3.73Å; L114-L123 HydrophobicContact CD1-CD2 4.01Å; L114-L138 HydrophobicContact CD1-CD2 4.1Å; L114-N145 PolarHBondContact O-ND2 2.74Å; L114-L148 HydrophobicContact CD2-CD1 4.48Å
115N95.6Very high96.9Very high92 Ų9239.5 Ų39.549%0.49220%0.202SC..Hα-helixtrans-77-20.1178.5-70.1-24.6000113.1C111 E112 F113 S141C111-N115 WeakPolarHBondContact O-CB 3.3Å; C111-N115 PolarHBondContact O-N 3.33Å; C111-N115 VanDerWaalsContact O-N 3.09Å; C111-N115 PolarHBondContact O-ND2 3.27Å; C111-N115 VanDerWaalsContact O-ND2 3.07Å; C111-N115 PolarHBondContact O-OD1 3.14Å; E112-N115 PolarHBondContact O-N 2.89Å; F113-N115 PolarHBondContact O-N 2.88Å; F113-N115 VanDerWaalsContact O-N 3.12Å; N115-S141 PolarHBondContact OD1-OG 2.87Å
116V94.6Very high96.8Very high107 Ų10735.7 Ų35.765%0.64818%0.184SC*.Hα-helixtrans-110-27.3178.9-610000112.6F113 L114F113-V116 VanDerWaalsContact O-CG2 3.23Å; F113-V116 WeakPolarHBondContact O-CG2 3.39Å; F113-V116 PolarHBondContact O-N 3.2Å; L114-V116 VanDerWaalsContact C-N 3.33Å
117D94.9Very high96.6Very high14 Ų1437.7 Ų37.78%0.07520%0.197CC..  trans-73.5140.1-179.6-17576.7000112.1F113 L119 L120 N147F113-D117 HydrophobicContact CD1-CB 4.31Å; F113-D117 HydrophobicContact CD2-CB 4.18Å; F113-D117 HydrophobicContact CE1-CB 3.9Å; F113-D117 HydrophobicContact CE2-CB 3.76Å; F113-D117 HydrophobicContact CG-CB 4.44Å; F113-D117 HydrophobicContact CZ-CB 3.61Å; F113-D117 VanDerWaalsContact CZ-CG 3.44Å; F113-D117 WeakPolarHBondContact CZ-OD1 3.38Å; F113-D117 VanDerWaalsContact O-CB 3.28Å; F113-D117 WeakPolarHBondContact O-CB 3.31Å; F113-D117 PolarHBondContact O-N 2.71Å; D117-L119 PolarHBondContact OD2-N 2.93Å; D117-L120 VanDerWaalsContact OD2-CB 3.25Å; D117-L120 WeakPolarHBondContact OD2-CB 3.42Å; D117-L120 PolarHBondContact OD2-N 3.3Å; D117-N147 PolarHBondContact O-ND2 3.34Å
118N93.6Very high96.5Very high108 Ų10837.7 Ų37.758%0.57820%0.197SC*.SBendtrans-125.713.9-178.468.9-4.8000114.6N147N118-N147 WeakPolarHBondContact CA-ND2 3.35Å
119L94.7Very high96.4Very high47 Ų4737.5 Ų37.525%0.24620%0.199CC..SBendtrans-118.3-27.2-179-67.5-174.4000113.5P90 T93 D117 E121P90-L119 VanDerWaalsContact C-CD1 3.45Å; P90-L119 HydrophobicContact CB-CD1 3.61Å; T93-L119 WeakPolarHBondContact CA-O 3.43Å; D117-L119 PolarHBondContact OD2-N 2.93Å; L119-E121 PolarHBondContact O-N 3.28Å; L119-E121 VanDerWaalsContact O-N 3.14Å
120L96.2Very high96.4Very high2 Ų235.7 Ų35.71%0.0119%0.19CC..  trans-71.5111.8-174.5-166.374.5000111I92 L95 F113 L114 D117 E122 L123 N147 L148I92-L120 HydrophobicContact CG2-CD1 4.27Å; L95-L120 HydrophobicContact CB-CD1 3.61Å; L95-L120 HydrophobicContact CB-CD2 4.34Å; F113-L120 HydrophobicContact CE1-CD2 4.3Å; L114-L120 HydrophobicContact CD2-CD2 3.73Å; D117-L120 VanDerWaalsContact OD2-CB 3.25Å; D117-L120 WeakPolarHBondContact OD2-CB 3.42Å; D117-L120 PolarHBondContact OD2-N 3.3Å; L120-E122 WeakPolarHBondContact CD1-O 3.37Å; L120-L123 HydrophobicContact CD2-CB 4.11Å; L120-L123 HydrophobicContact CD2-CD1 4.33Å; L120-N147 CarbonylContact O-C 3.31Å; L120-L148 HydrophobicContact CD2-CD1 4.23Å; L120-L148 HydrophobicContact CG-CD1 4.22Å; L120-L148 WeakPolarHBondContact O-CA 3.2Å; L120-L148 PolarHBondContact O-N 3.34Å
121E95.8Very high96.4Very high73 Ų7338 Ų3834%0.34120%0.204SC..  trans-98.7-34178.4-65.4-178.3173.200111.7T93 L119 V149 I150T93-E121 PolarHBondContact O-N 3.32Å; L119-E121 PolarHBondContact O-N 3.28Å; L119-E121 VanDerWaalsContact O-N 3.14Å; E121-V149 HydrophobicContact CB-CG2 4.31Å; E121-V149 HydrophobicContact CG-CG2 4.48Å; E121-V149 WeakPolarHBondContact O-CA 3.36Å; E121-V149 PolarHBondContact O-N 3.07Å; E121-I150 PolarHBondContact O-N 2.96Å
122E95.5Very high96.4Very high21 Ų2140.7 Ų40.710%0.09822%0.216CC..EExtended strand (participates in β ladder)trans-122.6128177.4-178.6174.6131.100112.2T93 M94 L95 L120 I150 K152T93-E122 PolarHBondContact O-N 3.17Å; M94-E122 WeakPolarHBondContact CA-O 3.4Å; M94-E122 HydrophobicContact CB-CB 3.99Å; M94-E122 HydrophobicContact CG-CB 3.73Å; M94-E122 HydrophobicContact SD-CB 3.82Å; M94-E122 HydrophobicContact SD-CG 4.43Å; L95-E122 PolarHBondContact N-O 2.76Å; L120-E122 WeakPolarHBondContact CD1-O 3.37Å; E122-I150 WeakPolarHBondContact CA-O 3.1Å; E122-I150 HydrophobicContact CB-CB 4.1Å; E122-I150 HydrophobicContact CG-CB 3.94Å; E122-I150 HydrophobicContact CG-CG2 3.91Å; E122-K152 WeakPolarHBondContact OE1-CE 3.21Å; E122-K152 IonicContact OE1-NZ 3.21Å; E122-K152 PolarHBondContact OE1-NZ 3.28Å; E122-K152 VanDerWaalsContact OE2-CE 3.29Å; E122-K152 WeakPolarHBondContact OE2-CE 3.48Å; E122-K152 IonicContact OE2-NZ 2.76Å; E122-K152 PolarHBondContact OE2-NZ 3.48Å
123L97.2Very high96.5Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-123.7122.3171.6179.359.9000110.2L95 L114 L120 L125 L138 L148 I150 L151 K152L95-L123 HydrophobicContact CB-CD1 4.26Å; L95-L123 HydrophobicContact CD2-CD1 4.18Å; L95-L123 HydrophobicContact CG-CD1 4.28Å; L114-L123 HydrophobicContact CD1-CD2 4.01Å; L120-L123 HydrophobicContact CD2-CB 4.11Å; L120-L123 HydrophobicContact CD2-CD1 4.33Å; L123-L125 HydrophobicContact CD1-CD2 4.38Å; L123-L125 HydrophobicContact CD1-CG 4.19Å; L123-L125 HydrophobicContact CD2-CD1 3.87Å; L123-L125 HydrophobicContact CD2-CG 4.3Å; L123-L125 HydrophobicContact CG-CD1 4.11Å; L123-L125 HydrophobicContact CG-CG 4.01Å; L123-L138 HydrophobicContact CD2-CD2 4.47Å; L123-L148 HydrophobicContact CB-CD1 3.72Å; L123-L148 HydrophobicContact CB-CD2 4.31Å; L123-I150 PolarHBondContact N-O 3.34Å; L123-L151 HydrophobicContact CB-CD1 4.29Å; L123-L151 HydrophobicContact CD2-CD1 4.25Å; L123-L151 HydrophobicContact CG-CD1 4.29Å; L123-K152 PolarHBondContact O-N 3.42Å
124N96.1Very high96.5Very high0 Ų038.8 Ų38.80%021%0.205CC..EExtended strand (participates in β ladder)trans-114.4115.6175.4-172.5-2.1000112.2L95 D96 L97 R98 M126 K152L95-N124 PolarHBondContact O-N 3.37Å; D96-N124 HydrophobicContact CB-CB 4.39Å; D96-N124 WeakPolarHBondContact OD1-CB 3.5Å; D96-N124 PolarHBondContact OD1-ND2 2.79Å; L97-N124 CarbonylContact C-O 3.5Å; L97-N124 WeakPolarHBondContact CA-O 3.16Å; L97-N124 PolarHBondContact N-O 2.79Å; R98-N124 PolarHBondContact N-O 3.05Å; R98-N124 PolarHBondContact NE-ND2 3.29Å; R98-N124 PolarHBondContact NH2-ND2 3.03Å; N124-M126 VanDerWaalsContact OD1-CB 3.23Å; N124-M126 WeakPolarHBondContact OD1-CB 3.47Å; N124-M126 PolarHBondContact OD1-N 3.09Å; N124-K152 HydrophobicContact CB-CB 4.14Å; N124-K152 HydrophobicContact CB-CD 4.1Å; N124-K152 WeakPolarHBondContact OD1-CB 3.12Å
125L97.5Very high96.6Very high0 Ų038.6 Ų38.60%020%0.204CC..  trans-119.420.4179.9-67.4170.8000112L97 V107 L110 L123 C127 N128 I130 L138 K152 M153 N156L97-L125 HydrophobicContact CB-CD2 4.07Å; L97-L125 HydrophobicContact CD1-CD2 4.1Å; V107-L125 HydrophobicContact CG2-CD1 4.42Å; L110-L125 HydrophobicContact CD1-CD1 4.28Å; L110-L125 HydrophobicContact CD1-CD2 3.63Å; L123-L125 HydrophobicContact CD1-CD2 4.38Å; L123-L125 HydrophobicContact CD1-CG 4.19Å; L123-L125 HydrophobicContact CD2-CD1 3.87Å; L123-L125 HydrophobicContact CD2-CG 4.3Å; L123-L125 HydrophobicContact CG-CD1 4.11Å; L123-L125 HydrophobicContact CG-CG 4.01Å; L125-C127 PolarHBondContact O-N 3.42Å; L125-N128 WeakPolarHBondContact CA-ND2 2.98Å; L125-N128 WeakPolarHBondContact O-CB 3.24Å; L125-N128 PolarHBondContact O-ND2 2.76Å; L125-I130 HydrophobicContact CB-CD1 3.82Å; L125-I130 HydrophobicContact CD1-CD1 4.06Å; L125-I130 HydrophobicContact CG-CD1 4.36Å; L125-L138 HydrophobicContact CD1-CD1 3.81Å; L125-L138 HydrophobicContact CD1-CD2 4.37Å; L125-K152 WeakPolarHBondContact CA-O 3.18Å; L125-K152 PolarHBondContact N-O 3.27Å; L125-M153 HydrophobicContact CB-SD 3.58Å; L125-M153 VanDerWaalsContact CB-SD 3.58Å; L125-M153 HydrophobicContact CD1-SD 3.76Å; L125-M153 HydrophobicContact CG-SD 4.31Å; L125-N156 PolarHBondContact O-ND2 3.2Å
126M95.3Very high96.7Very high12 Ų1237.5 Ų37.56%0.05920%0.196CC..  trans-48.9133.5177170.2-176.9-73.600112.1R98 Y99 N124 N128 T154R98-M126 CarbonylContact C-O 3.52Å; R98-M126 WeakPolarHBondContact CA-O 3.28Å; R98-M126 HydrophobicContact CB-CB 3.91Å; R98-M126 HydrophobicContact CB-CG 4.5Å; Y99-M126 HydrophobicContact CE2-SD 3.99Å; Y99-M126 PolarHBondContact N-O 3.35Å; N124-M126 VanDerWaalsContact OD1-CB 3.23Å; N124-M126 WeakPolarHBondContact OD1-CB 3.47Å; N124-M126 PolarHBondContact OD1-N 3.09Å; M126-N128 PolarHBondContact O-ND2 3.09Å; M126-N128 VanDerWaalsContact O-ND2 3.16Å; M126-T154 CarbonylContact C-O 3.51Å; M126-T154 VanDerWaalsContact CA-O 3.27Å; M126-T154 WeakPolarHBondContact CA-O 3.39Å; M126-T154 HydrophobicContact CE-CG2 4.23Å; M126-T154 WeakPolarHBondContact CE-OG1 3.45Å; M126-T154 WeakPolarHBondContact CG-O 3.35Å
127C94.2Very high96.9Very high42 Ų4234.6 Ų34.628%0.28418%0.175SC..SBendtrans5162.9177.4-62.60000113.9Y99 L125 T154Y99-C127 VanDerWaalsContact CA-O 3.31Å; Y99-C127 WeakPolarHBondContact CA-O 3.33Å; Y99-C127 HydrophobicContact CD1-CB 3.53Å; Y99-C127 HydrophobicContact CE1-CB 3.69Å; Y99-C127 VanDerWaalsContact CE1-SG 3.57Å; Y99-C127 HydrophobicContact CG-CB 4.22Å; L125-C127 PolarHBondContact O-N 3.42Å; C127-T154 PolarHBondContact N-O 3.18Å
128N97.3Very high97.1Very high0 Ų034 Ų340%017%0.172CC..SBendtrans-120.210.6-178.7-91.4-74.2000115.3L97 N100 I102 K103 L125 M126 I130 N156L97-N128 PolarHBondContact O-ND2 2.91Å; L97-N128 PolarHBondContact O-OD1 3.24Å; N100-N128 WeakPolarHBondContact CA-OD1 3.49Å; N100-N128 WeakPolarHBondContact CB-OD1 3.48Å; N100-N128 PolarHBondContact N-OD1 2.91Å; N100-N128 WeakPolarHBondContact O-CA 3.43Å; N100-N128 PolarHBondContact O-OD1 3.41Å; I102-N128 HydrophobicContact CB-CB 4.22Å; I102-N128 WeakPolarHBondContact CB-OD1 3.48Å; I102-N128 WeakPolarHBondContact CG1-OD1 3.43Å; I102-N128 PolarHBondContact N-OD1 2.77Å; K103-N128 PolarHBondContact N-O 3.06Å; L125-N128 WeakPolarHBondContact CA-ND2 2.98Å; L125-N128 WeakPolarHBondContact O-CB 3.24Å; L125-N128 PolarHBondContact O-ND2 2.76Å; M126-N128 PolarHBondContact O-ND2 3.09Å; M126-N128 VanDerWaalsContact O-ND2 3.16Å; N128-I130 VanDerWaalsContact C-N 3.25Å; N128-I130 HydrophobicContact CB-CD1 3.77Å; N128-I130 HydrophobicContact CB-CG1 3.84Å; N128-I130 PolarHBondContact O-N 2.81Å; N128-N156 WeakPolarHBondContact CA-OD1 3.28Å; N128-N156 PolarHBondContact N-OD1 2.83Å
129D97.4Very high97.4Very high78 Ų7828.9 Ų28.942%0.41714%0.144SC..  trans57.538.8-177.1-166.137.2000112.3K103 N156K103-D129 WeakPolarHBondContact CE-OD2 3.3Å; K103-D129 HydrophobicContact CG-CB 4.16Å; K103-D129 IonicContact NZ-OD2 2.93Å; D129-N156 PolarHBondContact N-OD1 2.88Å; D129-N156 VanDerWaalsContact N-OD1 3.14Å
130I98.7Very high97.5Very high0 Ų029.7 Ų29.70%015%0.149CC..  trans-85.6124.3177.9-58.5165.3000109.2V107 L125 N128 M153 N156 P157V107-I130 HydrophobicContact CG2-CD1 3.46Å; V107-I130 VanDerWaalsContact CG2-CD1 3.46Å; V107-I130 HydrophobicContact CG2-CG1 3.67Å; V107-I130 HydrophobicContact CG2-CG2 4.03Å; L125-I130 HydrophobicContact CB-CD1 3.82Å; L125-I130 HydrophobicContact CD1-CD1 4.06Å; L125-I130 HydrophobicContact CG-CD1 4.36Å; N128-I130 VanDerWaalsContact C-N 3.25Å; N128-I130 HydrophobicContact CB-CD1 3.77Å; N128-I130 HydrophobicContact CB-CG1 3.84Å; N128-I130 PolarHBondContact O-N 2.81Å; I130-M153 HydrophobicContact CB-CE 3.97Å; I130-M153 HydrophobicContact CD1-CE 3.67Å; I130-M153 HydrophobicContact CD1-SD 3.84Å; I130-M153 HydrophobicContact CG1-CE 4.43Å; I130-M153 HydrophobicContact CG2-CE 3.86Å; I130-N156 HydrophobicContact CB-CB 3.99Å; I130-N156 WeakPolarHBondContact CB-OD1 3.03Å; I130-N156 PolarHBondContact N-OD1 3.49Å; I130-N156 CarbonylContact O-C 3.52Å; I130-P157 CarbonylContact O-C 3.5Å; I130-P157 WeakPolarHBondContact O-CD 3.28Å
131T98.7Very high97.6Very high50 Ų5029.8 Ų29.831%0.30715%0.15SC..  trans-95.6-172.9-177.8840000111.8D104 K133 G134 A135 P157D104-T131 PolarHBondContact OD1-N 3.05Å; D104-T131 PolarHBondContact OD1-OG1 2.92Å; D104-T131 PolarHBondContact OD2-OG1 3.35Å; T131-K133 PolarHBondContact O-N 3.43Å; T131-K133 PolarHBondContact OG1-N 3.22Å; T131-G134 PolarHBondContact O-N 2.85Å; T131-A135 PolarHBondContact O-N 3.13Å; T131-P157 WeakPolarHBondContact CA-O 3.21Å
132E98.6Very high97.7Very high66 Ų6626.4 Ų26.431%0.30813%0.134SC..Hα-helixtrans-47.9-38.2170-178.6-176.1150.700112.5A135 Q136 I158 K161 Y165E132-A135 PolarHBondContact O-N 3.05Å; E132-Q136 WeakPolarHBondContact O-CB 3.41Å; E132-Q136 PolarHBondContact O-N 3.42Å; E132-I158 WeakPolarHBondContact CA-O 3.28Å; E132-K161 VanDerWaalsContact CD-CD 3.42Å; E132-K161 HydrophobicContact CG-CB 3.9Å; E132-K161 WeakPolarHBondContact OE1-CD 3.44Å; E132-K161 IonicContact OE1-NZ 3.99Å; E132-K161 WeakPolarHBondContact OE2-CD 3.41Å; E132-K161 IonicContact OE2-NZ 2.68Å; E132-Y165 HydrophobicContact CG-CE2 4.06Å
133K98.8Very high97.8Very high98 Ų9827.6 Ų27.643%0.42614%0.139SC..Hα-helixtrans-67.9-48.6-177.2-174.7-173.2175.2-161.20111.7D104 T131 A135 Q136 F137D104-K133 HydrophobicContact CB-CB 4.39Å; D104-K133 HydrophobicContact CB-CD 4.38Å; T131-K133 PolarHBondContact O-N 3.43Å; T131-K133 PolarHBondContact OG1-N 3.22Å; K133-A135 VanDerWaalsContact C-N 3.33Å; K133-A135 PolarHBondContact O-N 3.43Å; K133-Q136 WeakPolarHBondContact O-CB 3.49Å; K133-Q136 PolarHBondContact O-N 2.92Å; K133-F137 HydrophobicContact CD-CE2 4.28Å; K133-F137 HydrophobicContact CD-CZ 4.46Å; K133-F137 HydrophobicContact CG-CE2 3.95Å; K133-F137 HydrophobicContact CG-CZ 4.17Å; K133-F137 PolarHBondContact O-N 2.6Å; K133-F137 VanDerWaalsContact O-N 3.12Å
134G98.8Very high97.8Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-65.8-36.6176.100000112.2D104 V107 T131 Q136 F137 L138D104-G134 VanDerWaalsContact CG-N 3.33Å; D104-G134 VanDerWaalsContact OD1-CA 3.25Å; D104-G134 WeakPolarHBondContact OD1-CA 3.31Å; D104-G134 PolarHBondContact OD1-N 3.38Å; V107-G134 VanDerWaalsContact CG1-O 3.29Å; V107-G134 WeakPolarHBondContact CG1-O 3.42Å; T131-G134 PolarHBondContact O-N 2.85Å; G134-Q136 VanDerWaalsContact C-N 3.3Å; G134-Q136 PolarHBondContact O-N 3.15Å; G134-F137 PolarHBondContact O-N 2.73Å; G134-L138 PolarHBondContact O-N 3.26Å
135A98.8Very high97.8Very high0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-60.1-39.4171.900000112.5T131 E132 K133 L138 A139 I158 F166T131-A135 PolarHBondContact O-N 3.13Å; E132-A135 PolarHBondContact O-N 3.05Å; K133-A135 VanDerWaalsContact C-N 3.33Å; K133-A135 PolarHBondContact O-N 3.43Å; A135-L138 PolarHBondContact O-N 2.88Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.01Å; A135-I158 HydrophobicContact CB-CB 3.74Å; A135-I158 HydrophobicContact CB-CG2 3.82Å; A135-F166 HydrophobicContact CB-CE2 3.77Å; A135-F166 HydrophobicContact CB-CZ 4.34Å
136Q98.8Very high97.8Very high69 Ų6938.4 Ų38.432%0.32219%0.19SC..Hα-helixtrans-61.5-43.9174.2-170.2-176.22100112E132 K133 G134 N140 Y165E132-Q136 WeakPolarHBondContact O-CB 3.41Å; E132-Q136 PolarHBondContact O-N 3.42Å; K133-Q136 WeakPolarHBondContact O-CB 3.49Å; K133-Q136 PolarHBondContact O-N 2.92Å; G134-Q136 VanDerWaalsContact C-N 3.3Å; G134-Q136 PolarHBondContact O-N 3.15Å; Q136-N140 WeakPolarHBondContact O-CB 3.45Å; Q136-N140 VanDerWaalsContact O-CG 3.28Å; Q136-N140 PolarHBondContact O-N 2.95Å; Q136-N140 PolarHBondContact O-ND2 3.03Å; Q136-Y165 HydrophobicContact CB-CD2 3.64Å; Q136-Y165 HydrophobicContact CB-CE2 3.66Å; Q136-Y165 HydrophobicContact CB-CG 4.3Å; Q136-Y165 HydrophobicContact CG-CD1 4.35Å; Q136-Y165 HydrophobicContact CG-CD2 3.93Å; Q136-Y165 HydrophobicContact CG-CE1 4.19Å; Q136-Y165 HydrophobicContact CG-CE2 3.78Å; Q136-Y165 HydrophobicContact CG-CG 4.24Å
137F98.7Very high97.9Very high47 Ų4740.6 Ų40.621%0.20620%0.202CC..Hα-helixtrans-60.5-51.2176.7-66.4-38.4000111.6V107 E108 K133 G134 A139 N140 S141V107-F137 HydrophobicContact CG1-CB 4.16Å; E108-F137 HydrophobicContact CB-CD2 3.9Å; E108-F137 HydrophobicContact CB-CE2 3.86Å; E108-F137 HydrophobicContact CG-CD2 4.37Å; E108-F137 HydrophobicContact CG-CE2 4.11Å; E108-F137 HydrophobicContact CG-CZ 4.28Å; K133-F137 HydrophobicContact CD-CE2 4.28Å; K133-F137 HydrophobicContact CD-CZ 4.46Å; K133-F137 HydrophobicContact CG-CE2 3.95Å; K133-F137 HydrophobicContact CG-CZ 4.17Å; K133-F137 PolarHBondContact O-N 2.6Å; K133-F137 VanDerWaalsContact O-N 3.12Å; G134-F137 PolarHBondContact O-N 2.73Å; F137-A139 PolarHBondContact O-N 3.04Å; F137-N140 PolarHBondContact O-N 3.07Å; F137-S141 PolarHBondContact O-N 3.13Å
138L98.7Very high98.1Very high1 Ų138.7 Ų38.71%0.00519%0.188CC..Hα-helixtrans-60-50.2178.8-77.9163.7000111.9V107 L114 L123 L125 G134 A135 N140 S141 L142 M153 F166V107-L138 HydrophobicContact CG1-CD1 3.69Å; V107-L138 HydrophobicContact CG1-CD2 4.11Å; V107-L138 HydrophobicContact CG1-CG 3.43Å; V107-L138 VanDerWaalsContact CG1-CG 3.43Å; V107-L138 HydrophobicContact CG2-CD1 4.29Å; L114-L138 HydrophobicContact CD1-CD2 4.1Å; L123-L138 HydrophobicContact CD2-CD2 4.47Å; L125-L138 HydrophobicContact CD1-CD1 3.81Å; L125-L138 HydrophobicContact CD1-CD2 4.37Å; G134-L138 PolarHBondContact O-N 3.26Å; A135-L138 PolarHBondContact O-N 2.88Å; L138-N140 PolarHBondContact O-N 3.31Å; L138-S141 PolarHBondContact O-N 2.86Å; L138-S141 VanDerWaalsContact O-N 3.09Å; L138-L142 WeakPolarHBondContact O-CG 3.46Å; L138-L142 PolarHBondContact O-N 2.67Å; L138-M153 HydrophobicContact CD1-CE 4.2Å; L138-M153 HydrophobicContact CD1-SD 3.7Å; L138-F166 HydrophobicContact CB-CE1 3.99Å; L138-F166 HydrophobicContact CB-CZ 3.98Å; L138-F166 HydrophobicContact CD1-CZ 4.48Å
139A98.7Very high98.1Very high0 Ų040.2 Ų40.20%020%0.198CC..Hα-helixtrans-58.4-36.7179.300000112.4A135 F137 K143 Y165 F166 A169A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.01Å; F137-A139 PolarHBondContact O-N 3.04Å; A139-K143 PolarHBondContact O-N 3.49Å; A139-Y165 VanDerWaalsContact CB-C 3.47Å; A139-Y165 WeakPolarHBondContact CB-O 3.48Å; A139-F166 HydrophobicContact CB-CD1 3.99Å; A139-F166 HydrophobicContact CB-CE1 4.24Å; A139-F166 HydrophobicContact CB-CG 4.38Å; A139-A169 HydrophobicContact CB-CB 4.2Å; A139-A169 WeakPolarHBondContact O-CB 3.48Å
140N98.4Very high98Very high64 Ų6438.3 Ų38.334%0.34219%0.187SC..Hα-helixtrans-70.3-40175.2-76-26000112.6Q136 F137 L138 K143Q136-N140 WeakPolarHBondContact O-CB 3.45Å; Q136-N140 VanDerWaalsContact O-CG 3.28Å; Q136-N140 PolarHBondContact O-N 2.95Å; Q136-N140 PolarHBondContact O-ND2 3.03Å; F137-N140 PolarHBondContact O-N 3.07Å; L138-N140 PolarHBondContact O-N 3.31Å; N140-K143 WeakPolarHBondContact O-CB 3.28Å; N140-K143 PolarHBondContact O-N 3.35Å; N140-K143 PolarHBondContact OD1-NZ 3.39Å
141S98.3Very high98Very high5 Ų538.3 Ų38.34%0.03519%0.187CC..Hα-helixtrans-63.2-42.7174.5-179.80000111.5N115 F137 L138 K143 N144 N145N115-S141 PolarHBondContact OD1-OG 2.87Å; F137-S141 PolarHBondContact O-N 3.13Å; L138-S141 PolarHBondContact O-N 2.86Å; L138-S141 VanDerWaalsContact O-N 3.09Å; S141-K143 PolarHBondContact O-N 3.01Å; S141-K143 VanDerWaalsContact O-N 3.13Å; S141-N144 PolarHBondContact O-N 2.86Å; S141-N145 PolarHBondContact O-N 3.38Å
142L98.3Very high97.8Very high2 Ų236.3 Ų36.31%0.0117%0.174CC..Hα-helixtrans-58.9-26.6177.2-71.2177.1000113.7L138 N144 L148 L151 F166 A169 N173 L176L138-L142 WeakPolarHBondContact O-CG 3.46Å; L138-L142 PolarHBondContact O-N 2.67Å; L142-N144 PolarHBondContact O-N 3.01Å; L142-L148 HydrophobicContact CD2-CB 4.5Å; L142-L148 HydrophobicContact CD2-CD2 3.77Å; L142-L151 HydrophobicContact CD1-CD2 3.91Å; L142-F166 HydrophobicContact CD1-CD1 3.9Å; L142-F166 HydrophobicContact CD1-CE1 3.81Å; L142-A169 HydrophobicContact CB-CB 4.24Å; L142-N173 WeakPolarHBondContact O-CB 3.12Å; L142-N173 PolarHBondContact O-ND2 2.96Å; L142-L176 HydrophobicContact CD1-CD2 4.44Å; L142-L176 HydrophobicContact CD2-CD1 4.47Å
143K97.5Very high97.7Very high46 Ų4633.2 Ų33.220%0.216%0.16CC..THydrogen-bonded Turntrans-60.8-28.9174.7-69169.4-175.2164.70112.3A139 N140 S141 R146 A169 I172A139-K143 PolarHBondContact O-N 3.49Å; N140-K143 WeakPolarHBondContact O-CB 3.28Å; N140-K143 PolarHBondContact O-N 3.35Å; N140-K143 PolarHBondContact OD1-NZ 3.39Å; S141-K143 PolarHBondContact O-N 3.01Å; S141-K143 VanDerWaalsContact O-N 3.13Å; K143-R146 VanDerWaalsContact O-CZ 3.3Å; K143-R146 PolarHBondContact O-NH1 3.34Å; K143-R146 PolarHBondContact O-NH2 2.75Å; K143-A169 HydrophobicContact CG-CB 4.16Å; K143-I172 HydrophobicContact CD-CD1 4.24Å; K143-I172 HydrophobicContact CG-CD1 4.19Å
144N95.8Very high97.4Very high124 Ų12428.9 Ų28.966%0.66314%0.142SC*.THydrogen-bonded Turntrans-108.9-31.4-177.5-59.7-42.8000113.5S141 L142S141-N144 PolarHBondContact O-N 2.86Å; L142-N144 PolarHBondContact O-N 3.01Å
145N97.3Very high97Very high6 Ų630.2 Ų30.23%0.03216%0.155CC..  trans-65137177-177.4-71.9000110.3L114 S141 N147 L148 N173L114-N145 PolarHBondContact O-ND2 2.74Å; S141-N145 PolarHBondContact O-N 3.38Å; N145-N147 PolarHBondContact OD1-N 2.83Å; N145-L148 WeakPolarHBondContact OD1-CB 3.28Å; N145-L148 PolarHBondContact OD1-N 3.13Å; N145-N173 PolarHBondContact O-ND2 2.79Å
146R97.1Very high96.8Very high96 Ų9630.2 Ų30.236%0.36216%0.155SC..  trans-126.510.9-177.5-65.6-64.9178.3-87.8-3.5113.4K143 D174 T175K143-R146 VanDerWaalsContact O-CZ 3.3Å; K143-R146 PolarHBondContact O-NH1 3.34Å; K143-R146 PolarHBondContact O-NH2 2.75Å; R146-D174 WeakPolarHBondContact CD-OD1 3.41Å; R146-D174 IonicContact CZ-OD1 3.88Å; R146-D174 IonicContact NE-OD1 3.61Å; R146-D174 PolarHBondContact NE-OD1 3.28Å; R146-T175 WeakPolarHBondContact CA-OG1 3.19Å; R146-T175 HydrophobicContact CB-CG2 4.05Å; R146-T175 HydrophobicContact CG-CG2 4.47Å; R146-T175 WeakPolarHBondContact O-CG2 3.25Å
147N97.3Very high96.7Very high59 Ų5929.1 Ų29.132%0.31615%0.154SC..SBendtrans-115.1-32.1-174.9-53.8-61.7000111.7D117 N118 L120 N145 V149D117-N147 PolarHBondContact O-ND2 3.34Å; N118-N147 WeakPolarHBondContact CA-ND2 3.35Å; L120-N147 CarbonylContact O-C 3.31Å; N145-N147 PolarHBondContact OD1-N 2.83Å; N147-V149 WeakPolarHBondContact O-CG2 3.48Å; N147-V149 PolarHBondContact O-N 3.43Å
148L97.6Very high96.7Very high1 Ų127 Ų271%0.00515%0.145CC..  trans-70.4119.9178.2-162.576.3000110L114 L120 L123 L142 N145 L151 L176L114-L148 HydrophobicContact CD2-CD1 4.48Å; L120-L148 HydrophobicContact CD2-CD1 4.23Å; L120-L148 HydrophobicContact CG-CD1 4.22Å; L120-L148 WeakPolarHBondContact O-CA 3.2Å; L120-L148 PolarHBondContact O-N 3.34Å; L123-L148 HydrophobicContact CB-CD1 3.72Å; L123-L148 HydrophobicContact CB-CD2 4.31Å; L142-L148 HydrophobicContact CD2-CB 4.5Å; L142-L148 HydrophobicContact CD2-CD2 3.77Å; N145-L148 WeakPolarHBondContact OD1-CB 3.28Å; N145-L148 PolarHBondContact OD1-N 3.13Å; L148-L151 HydrophobicContact CD2-CB 4.1Å; L148-L151 HydrophobicContact CD2-CD1 4.41Å; L148-L176 HydrophobicContact CD2-CD1 4.29Å; L148-L176 HydrophobicContact CG-CD1 4.31Å; L148-L176 WeakPolarHBondContact O-CD1 3.24Å
149V97.1Very high96.6Very high33 Ų3327.8 Ų27.820%0.215%0.153CC..  trans-101.1-36.5-179.1-179.90000110.6E121 N147 L176 E177 F178E121-V149 HydrophobicContact CB-CG2 4.31Å; E121-V149 HydrophobicContact CG-CG2 4.48Å; E121-V149 WeakPolarHBondContact O-CA 3.36Å; E121-V149 PolarHBondContact O-N 3.07Å; N147-V149 WeakPolarHBondContact O-CG2 3.48Å; N147-V149 PolarHBondContact O-N 3.43Å; V149-L176 WeakPolarHBondContact O-CD1 3.41Å; V149-E177 HydrophobicContact CG1-CB 3.69Å; V149-E177 HydrophobicContact CG1-CG 3.73Å; V149-E177 PolarHBondContact O-N 3.08Å; V149-F178 PolarHBondContact O-N 3.03Å
150I96.4Very high96.5Very high37 Ų3728.7 Ų28.719%0.1916%0.16CC..EExtended strand (participates in β ladder)trans-128.4120.9-173.1-54.3-176.8000110.1E121 E122 L123 K152 F178E121-I150 PolarHBondContact O-N 2.96Å; E122-I150 WeakPolarHBondContact CA-O 3.1Å; E122-I150 HydrophobicContact CB-CB 4.1Å; E122-I150 HydrophobicContact CG-CB 3.94Å; E122-I150 HydrophobicContact CG-CG2 3.91Å; L123-I150 PolarHBondContact N-O 3.34Å; I150-K152 HydrophobicContact CG2-CG 4.2Å; I150-F178 WeakPolarHBondContact CA-O 3.46Å; I150-F178 HydrophobicContact CB-CB 4.47Å; I150-F178 HydrophobicContact CG1-CB 4.15Å; I150-F178 HydrophobicContact CG2-CB 4.27Å; I150-F178 HydrophobicContact CG2-CD1 3.81Å; I150-F178 HydrophobicContact CG2-CG 4.39Å
151L97.4Very high96.4Very high0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-118.3124.2171177.762.5000110.9L123 L142 L148 M153 F166 L176 F178 I179 D180L123-L151 HydrophobicContact CB-CD1 4.29Å; L123-L151 HydrophobicContact CD2-CD1 4.25Å; L123-L151 HydrophobicContact CG-CD1 4.29Å; L142-L151 HydrophobicContact CD1-CD2 3.91Å; L148-L151 HydrophobicContact CD2-CB 4.1Å; L148-L151 HydrophobicContact CD2-CD1 4.41Å; L151-M153 HydrophobicContact CD1-CG 3.93Å; L151-M153 HydrophobicContact CD1-SD 4.47Å; L151-M153 HydrophobicContact CD2-CG 4.1Å; L151-M153 HydrophobicContact CG-CG 3.84Å; L151-F166 HydrophobicContact CD2-CE1 3.67Å; L151-F166 HydrophobicContact CD2-CZ 4.14Å; L151-L176 HydrophobicContact CB-CD1 4.25Å; L151-F178 PolarHBondContact N-O 3.02Å; L151-I179 HydrophobicContact CB-CG1 4.36Å; L151-I179 HydrophobicContact CD2-CD1 4.39Å; L151-I179 HydrophobicContact CD2-CG1 4.44Å; L151-I179 WeakPolarHBondContact O-CA 3.45Å; L151-D180 PolarHBondContact O-N 3.35Å
152K95.6Very high96.4Very high9 Ų931 Ų314%0.03917%0.166CC..EExtended strand (participates in β ladder)trans-115.2123.2176.2-54.4170.8-156.4-172.90110E122 L123 N124 L125 I150 R419E122-K152 WeakPolarHBondContact OE1-CE 3.21Å; E122-K152 IonicContact OE1-NZ 3.21Å; E122-K152 PolarHBondContact OE1-NZ 3.28Å; E122-K152 VanDerWaalsContact OE2-CE 3.29Å; E122-K152 WeakPolarHBondContact OE2-CE 3.48Å; E122-K152 IonicContact OE2-NZ 2.76Å; E122-K152 PolarHBondContact OE2-NZ 3.48Å; L123-K152 PolarHBondContact O-N 3.42Å; N124-K152 HydrophobicContact CB-CB 4.14Å; N124-K152 HydrophobicContact CB-CD 4.1Å; N124-K152 WeakPolarHBondContact OD1-CB 3.12Å; L125-K152 WeakPolarHBondContact CA-O 3.18Å; L125-K152 PolarHBondContact N-O 3.27Å; I150-K152 HydrophobicContact CG2-CG 4.2Å; K152-R419 VanDerWaalsContact CD-NH2 3.35Å
153M95.7Very high96.4Very high0 Ų030.9 Ų30.90%017%0.166CC..  trans-134.912-171.1-80.1-71.5-54.200112.2L125 I130 L138 L151 N156 I158 D180 L181 C184L125-M153 HydrophobicContact CB-SD 3.58Å; L125-M153 VanDerWaalsContact CB-SD 3.58Å; L125-M153 HydrophobicContact CD1-SD 3.76Å; L125-M153 HydrophobicContact CG-SD 4.31Å; I130-M153 HydrophobicContact CB-CE 3.97Å; I130-M153 HydrophobicContact CD1-CE 3.67Å; I130-M153 HydrophobicContact CD1-SD 3.84Å; I130-M153 HydrophobicContact CG1-CE 4.43Å; I130-M153 HydrophobicContact CG2-CE 3.86Å; L138-M153 HydrophobicContact CD1-CE 4.2Å; L138-M153 HydrophobicContact CD1-SD 3.7Å; L151-M153 HydrophobicContact CD1-CG 3.93Å; L151-M153 HydrophobicContact CD1-SD 4.47Å; L151-M153 HydrophobicContact CD2-CG 4.1Å; L151-M153 HydrophobicContact CG-CG 3.84Å; M153-N156 HydrophobicContact CE-CB 3.93Å; M153-N156 WeakPolarHBondContact O-CB 3.2Å; M153-N156 PolarHBondContact O-N 2.76Å; M153-N156 PolarHBondContact O-ND2 3.07Å; M153-I158 HydrophobicContact CE-CG2 4.04Å; M153-D180 CarbonylContact C-O 3.42Å; M153-D180 WeakPolarHBondContact CA-O 3.28Å; M153-D180 WeakPolarHBondContact CB-O 3.32Å; M153-D180 PolarHBondContact N-O 3.11Å; M153-L181 HydrophobicContact CB-CD2 3.73Å; M153-L181 HydrophobicContact CG-CD2 4.29Å; M153-C184 PolarHBondContact O-SG 3.48Å
154T92.7Very high96.5Very high8 Ų831.3 Ų31.35%0.04917%0.17CC..THydrogen-bonded Turntrans-50.9139.5-175.5-35.80000112.6M126 C127 N156 D180 G182 E183M126-T154 CarbonylContact C-O 3.51Å; M126-T154 VanDerWaalsContact CA-O 3.27Å; M126-T154 WeakPolarHBondContact CA-O 3.39Å; M126-T154 HydrophobicContact CE-CG2 4.23Å; M126-T154 WeakPolarHBondContact CE-OG1 3.45Å; M126-T154 WeakPolarHBondContact CG-O 3.35Å; C127-T154 PolarHBondContact N-O 3.18Å; T154-N156 VanDerWaalsContact C-N 3.34Å; T154-N156 PolarHBondContact O-N 3.2Å; T154-D180 PolarHBondContact OG1-OD1 2.91Å; T154-D180 PolarHBondContact OG1-OD2 3.18Å; T154-G182 CarbonylContact C-O 3.13Å; T154-G182 WeakPolarHBondContact CA-O 3.26Å; T154-G182 WeakPolarHBondContact CG2-O 3.3Å; T154-E183 HydrophobicContact CG2-CB 4.45Å; T154-E183 HydrophobicContact CG2-CG 4.19Å
155G91Very high96.6Very high27 Ų2727.9 Ų27.928%0.27815%0.148SC..THydrogen-bonded Turntrans71.626.9174.100000114.2G182 E183G155-G182 PolarHBondContact N-O 3.44Å; G155-E183 WeakPolarHBondContact CA-O 3.45Å
156N95.3Very high96.7Very high0 Ų027.6 Ų27.60%015%0.146CC..  trans-110.1129.4170.5-74.4-69000110.1L125 N128 D129 I130 M153 T154 I158 C184L125-N156 PolarHBondContact O-ND2 3.2Å; N128-N156 WeakPolarHBondContact CA-OD1 3.28Å; N128-N156 PolarHBondContact N-OD1 2.83Å; D129-N156 PolarHBondContact N-OD1 2.88Å; D129-N156 VanDerWaalsContact N-OD1 3.14Å; I130-N156 HydrophobicContact CB-CB 3.99Å; I130-N156 WeakPolarHBondContact CB-OD1 3.03Å; I130-N156 PolarHBondContact N-OD1 3.49Å; I130-N156 CarbonylContact O-C 3.52Å; M153-N156 HydrophobicContact CE-CB 3.93Å; M153-N156 WeakPolarHBondContact O-CB 3.2Å; M153-N156 PolarHBondContact O-N 2.76Å; M153-N156 PolarHBondContact O-ND2 3.07Å; T154-N156 VanDerWaalsContact C-N 3.34Å; T154-N156 PolarHBondContact O-N 3.2Å; N156-I158 HydrophobicContact CB-CG2 4.04Å; N156-I158 PolarHBondContact O-N 2.97Å; N156-C184 CarbonylContact O-C 3.55Å; N156-C184 WeakPolarHBondContact O-CA 3.46Å; N156-C184 WeakPolarHBondContact O-CB 3.43Å; N156-C184 PolarHBondContact O-SG 3.4Å
157P96.4Very high96.8Very high47 Ų4723.1 Ų23.131%0.30513%0.13SC..  trans-75.762.4-174.833.8-38.9000113.2I130 T131 G159 D185I130-P157 CarbonylContact O-C 3.5Å; I130-P157 WeakPolarHBondContact O-CD 3.28Å; T131-P157 WeakPolarHBondContact CA-O 3.21Å; P157-G159 VanDerWaalsContact C-N 3.32Å; P157-G159 PolarHBondContact O-N 3.2Å; P157-D185 WeakPolarHBondContact CB-OD2 3.21Å
158I98Very high96.8Very high1 Ų124.5 Ų24.51%0.00514%0.135CC..  trans-74.8-22.4-17678.4-173.4000113.1E132 A135 M153 N156 G162 F166 L181 C184 Q186E132-I158 WeakPolarHBondContact CA-O 3.28Å; A135-I158 HydrophobicContact CB-CB 3.74Å; A135-I158 HydrophobicContact CB-CG2 3.82Å; M153-I158 HydrophobicContact CE-CG2 4.04Å; N156-I158 HydrophobicContact CB-CG2 4.04Å; N156-I158 PolarHBondContact O-N 2.97Å; I158-G162 WeakPolarHBondContact O-CA 3.49Å; I158-G162 PolarHBondContact O-N 2.68Å; I158-F166 HydrophobicContact CD1-CD2 4.12Å; I158-F166 HydrophobicContact CD1-CE2 4.03Å; I158-L181 HydrophobicContact CD1-CD2 3.87Å; I158-C184 HydrophobicContact CD1-CB 3.86Å; I158-C184 HydrophobicContact CG1-CB 3.84Å; I158-C184 PolarHBondContact N-O 3.02Å; I158-Q186 HydrophobicContact CG1-CG 4.47Å
159G96.7Very high96.9Very high18 Ų1824.5 Ų24.519%0.18614%0.135CC..Hα-helixtrans68.6174.3-177.500000114.1P157 K161 G162 G163 C184 D185P157-G159 VanDerWaalsContact C-N 3.32Å; P157-G159 PolarHBondContact O-N 3.2Å; G159-K161 PolarHBondContact O-N 2.64Å; G159-G162 PolarHBondContact O-N 2.86Å; G159-G162 VanDerWaalsContact O-N 3.14Å; G159-G163 PolarHBondContact O-N 3.05Å; G159-G163 VanDerWaalsContact O-N 3.13Å; G159-C184 PolarHBondContact N-O 3.33Å; G159-C184 VanDerWaalsContact N-O 3.14Å; G159-D185 WeakPolarHBondContact CA-O 3.44Å
160S96.1Very high97Very high20 Ų2023.1 Ų23.114%0.1413%0.126CC..Hα-helixtrans-60.9-32.8179.5-50.80000113.5G163 L164 D187S160-G163 PolarHBondContact O-N 3.29Å; S160-L164 VanDerWaalsContact O-CG 3.31Å; S160-L164 WeakPolarHBondContact O-CG 3.2Å; S160-L164 PolarHBondContact O-N 3.13Å; S160-D187 WeakPolarHBondContact CB-OD2 3.48Å; S160-D187 PolarHBondContact OG-N 3.06Å; S160-D187 PolarHBondContact OG-OD1 3.01Å; S160-D187 PolarHBondContact OG-OD2 3.32Å
161K98Very high97Very high117 Ų11727.3 Ų27.351%0.50915%0.145SC..Hα-helixtrans-69.6-39.5175.7-70.8178.9-176.11710112.5E132 G159 G163 L164 Y165E132-K161 VanDerWaalsContact CD-CD 3.42Å; E132-K161 HydrophobicContact CG-CB 3.9Å; E132-K161 WeakPolarHBondContact OE1-CD 3.44Å; E132-K161 IonicContact OE1-NZ 3.99Å; E132-K161 WeakPolarHBondContact OE2-CD 3.41Å; E132-K161 IonicContact OE2-NZ 2.68Å; G159-K161 PolarHBondContact O-N 2.64Å; K161-G163 VanDerWaalsContact C-N 3.31Å; K161-G163 PolarHBondContact O-N 2.98Å; K161-L164 WeakPolarHBondContact O-CB 3.24Å; K161-L164 PolarHBondContact O-N 2.95Å; K161-L164 VanDerWaalsContact O-N 3.16Å; K161-Y165 WeakPolarHBondContact O-CD2 3.38Å; K161-Y165 PolarHBondContact O-N 3.28Å
162G98.5Very high97.1Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-56.5-4717100000111.5I158 G159 L164 Y165 F166I158-G162 WeakPolarHBondContact O-CA 3.49Å; I158-G162 PolarHBondContact O-N 2.68Å; G159-G162 PolarHBondContact O-N 2.86Å; G159-G162 VanDerWaalsContact O-N 3.14Å; G162-L164 PolarHBondContact O-N 2.91Å; G162-Y165 WeakPolarHBondContact O-CB 3.24Å; G162-Y165 PolarHBondContact O-N 3.15Å; G162-F166 VanDerWaalsContact O-CD2 3.27Å; G162-F166 WeakPolarHBondContact O-CD2 3.45Å; G162-F166 PolarHBondContact O-N 3.35Å; G162-F166 VanDerWaalsContact O-N 3.17Å
163G98.2Very high97.2Very high0 Ų031.5 Ų31.50%017%0.167CC..Hα-helixtrans-60.4-40.2173.700000113.7G159 S160 K161 Y165 F166 A167 S190 F194G159-G163 PolarHBondContact O-N 3.05Å; G159-G163 VanDerWaalsContact O-N 3.13Å; S160-G163 PolarHBondContact O-N 3.29Å; K161-G163 VanDerWaalsContact C-N 3.31Å; K161-G163 PolarHBondContact O-N 2.98Å; G163-Y165 VanDerWaalsContact C-N 3.34Å; G163-Y165 PolarHBondContact O-N 2.93Å; G163-F166 PolarHBondContact O-N 2.6Å; G163-A167 PolarHBondContact O-N 3.04Å; G163-S190 WeakPolarHBondContact CA-OG 3.45Å; G163-F194 WeakPolarHBondContact O-CZ 3.17Å
164L98.5Very high97.3Very high55 Ų5536.6 Ų36.629%0.28819%0.194SC..Hα-helixtrans-61.5-38.5173.5-72.2171.1000112.7S160 K161 G162 A167 Q168 A193S160-L164 VanDerWaalsContact O-CG 3.31Å; S160-L164 WeakPolarHBondContact O-CG 3.2Å; S160-L164 PolarHBondContact O-N 3.13Å; K161-L164 WeakPolarHBondContact O-CB 3.24Å; K161-L164 PolarHBondContact O-N 2.95Å; K161-L164 VanDerWaalsContact O-N 3.16Å; G162-L164 PolarHBondContact O-N 2.91Å; L164-A167 PolarHBondContact O-N 3.02Å; L164-Q168 WeakPolarHBondContact O-CB 3.33Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.21Å; L164-Q168 PolarHBondContact O-N 3.37Å; L164-A193 HydrophobicContact CD2-CB 3.44Å; L164-A193 VanDerWaalsContact CD2-CB 3.44Å
165Y98.8Very high97.5Very high51 Ų5137.8 Ų37.820%0.220%0.201CC..Hα-helixtrans-63.2-43.8175.1-64.6-48.7000111.5E132 Q136 A139 K161 G162 G163 Q168 A169E132-Y165 HydrophobicContact CG-CE2 4.06Å; Q136-Y165 HydrophobicContact CB-CD2 3.64Å; Q136-Y165 HydrophobicContact CB-CE2 3.66Å; Q136-Y165 HydrophobicContact CB-CG 4.3Å; Q136-Y165 HydrophobicContact CG-CD1 4.35Å; Q136-Y165 HydrophobicContact CG-CD2 3.93Å; Q136-Y165 HydrophobicContact CG-CE1 4.19Å; Q136-Y165 HydrophobicContact CG-CE2 3.78Å; Q136-Y165 HydrophobicContact CG-CG 4.24Å; A139-Y165 VanDerWaalsContact CB-C 3.47Å; A139-Y165 WeakPolarHBondContact CB-O 3.48Å; K161-Y165 WeakPolarHBondContact O-CD2 3.38Å; K161-Y165 PolarHBondContact O-N 3.28Å; G162-Y165 WeakPolarHBondContact O-CB 3.24Å; G162-Y165 PolarHBondContact O-N 3.15Å; G163-Y165 VanDerWaalsContact C-N 3.34Å; G163-Y165 PolarHBondContact O-N 2.93Å; Y165-Q168 WeakPolarHBondContact O-CB 3.24Å; Y165-Q168 PolarHBondContact O-N 3.44Å; Y165-A169 PolarHBondContact O-N 2.72Å
166F98.8Very high97.9Very high1 Ų136.5 Ų36.50%0.00419%0.188CC..Hα-helixtrans-63.6-44.4174.7-75.3-63.4000112.1A135 L138 A139 L142 L151 I158 G162 G163 Q168 A169 L170 I179 L181 F194A135-F166 HydrophobicContact CB-CE2 3.77Å; A135-F166 HydrophobicContact CB-CZ 4.34Å; L138-F166 HydrophobicContact CB-CE1 3.99Å; L138-F166 HydrophobicContact CB-CZ 3.98Å; L138-F166 HydrophobicContact CD1-CZ 4.48Å; A139-F166 HydrophobicContact CB-CD1 3.99Å; A139-F166 HydrophobicContact CB-CE1 4.24Å; A139-F166 HydrophobicContact CB-CG 4.38Å; L142-F166 HydrophobicContact CD1-CD1 3.9Å; L142-F166 HydrophobicContact CD1-CE1 3.81Å; L151-F166 HydrophobicContact CD2-CE1 3.67Å; L151-F166 HydrophobicContact CD2-CZ 4.14Å; I158-F166 HydrophobicContact CD1-CD2 4.12Å; I158-F166 HydrophobicContact CD1-CE2 4.03Å; G162-F166 VanDerWaalsContact O-CD2 3.27Å; G162-F166 WeakPolarHBondContact O-CD2 3.45Å; G162-F166 PolarHBondContact O-N 3.35Å; G162-F166 VanDerWaalsContact O-N 3.17Å; G163-F166 PolarHBondContact O-N 2.6Å; F166-Q168 VanDerWaalsContact C-N 3.27Å; F166-Q168 PolarHBondContact O-N 2.76Å; F166-A169 WeakPolarHBondContact O-CA 3.32Å; F166-A169 WeakPolarHBondContact O-CB 3.25Å; F166-A169 PolarHBondContact O-N 3.37Å; F166-L170 WeakPolarHBondContact O-CG 3.39Å; F166-L170 PolarHBondContact O-N 3.22Å; F166-I179 HydrophobicContact CB-CD1 4.19Å; F166-I179 HydrophobicContact CD1-CD1 3.8Å; F166-I179 HydrophobicContact CE1-CD1 4.38Å; F166-I179 HydrophobicContact CG-CD1 4.02Å; F166-L181 HydrophobicContact CB-CD1 4.18Å; F166-L181 HydrophobicContact CD2-CD1 3.97Å; F166-L181 HydrophobicContact CD2-CD2 3.86Å; F166-L181 HydrophobicContact CE2-CD2 3.79Å; F166-L181 HydrophobicContact CG-CD1 4.22Å; F166-L181 HydrophobicContact CZ-CD2 4.4Å; F166-F194 HydrophobicContact CB-CE1 4.1Å; F166-F194 HydrophobicContact CB-CZ 3.76Å
167A98.6Very high98Very high2 Ų241 Ų412%0.01721%0.209CC..Hα-helixtrans-57.8-41174.200000111.5G163 L164 L170 Q171 A193 F194 V197G163-A167 PolarHBondContact O-N 3.04Å; L164-A167 PolarHBondContact O-N 3.02Å; A167-L170 PolarHBondContact O-N 3.49Å; A167-Q171 PolarHBondContact O-N 3.15Å; A167-A193 HydrophobicContact CB-CB 3.83Å; A167-F194 HydrophobicContact CB-CD1 4.19Å; A167-F194 HydrophobicContact CB-CE1 4.18Å; A167-F194 HydrophobicContact CB-CG 4.47Å; A167-F194 HydrophobicContact CB-CZ 4.46Å; A167-V197 HydrophobicContact CB-CG2 4.33Å; A167-V197 WeakPolarHBondContact O-CG2 3.31Å
168Q98.4Very high98Very high88 Ų8839.5 Ų39.541%0.41120%0.198SC..Hα-helixtrans-64.3-38.5173.2-72.4171.84.900112.9L164 Y165 F166 L170 Q171L164-Q168 WeakPolarHBondContact O-CB 3.33Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.21Å; L164-Q168 PolarHBondContact O-N 3.37Å; Y165-Q168 WeakPolarHBondContact O-CB 3.24Å; Y165-Q168 PolarHBondContact O-N 3.44Å; F166-Q168 VanDerWaalsContact C-N 3.27Å; F166-Q168 PolarHBondContact O-N 2.76Å; Q168-L170 VanDerWaalsContact C-N 3.33Å; Q168-Q171 WeakPolarHBondContact O-CB 3.49Å; Q168-Q171 PolarHBondContact O-N 3.21Å
169A98.6Very high97.9Very high1 Ų139.4 Ų39.41%0.00820%0.197CC..Hα-helixtrans-62.3-42.1175.800000111.4A139 L142 K143 Y165 F166 Q171 I172 N173A139-A169 HydrophobicContact CB-CB 4.2Å; A139-A169 WeakPolarHBondContact O-CB 3.48Å; L142-A169 HydrophobicContact CB-CB 4.24Å; K143-A169 HydrophobicContact CG-CB 4.16Å; Y165-A169 PolarHBondContact O-N 2.72Å; F166-A169 WeakPolarHBondContact O-CA 3.32Å; F166-A169 WeakPolarHBondContact O-CB 3.25Å; F166-A169 PolarHBondContact O-N 3.37Å; A169-Q171 PolarHBondContact O-N 3.42Å; A169-I172 PolarHBondContact O-N 3.18Å; A169-N173 WeakPolarHBondContact O-CB 3.07Å; A169-N173 PolarHBondContact O-N 2.9Å
170L98.6Very high97.8Very high3 Ų338.6 Ų38.62%0.01619%0.189CC..THydrogen-bonded Turntrans-69.2-10.3178.8-64.9-177.8000114.6F166 A167 Q168 L176 F194 V197 N201 M204F166-L170 WeakPolarHBondContact O-CG 3.39Å; F166-L170 PolarHBondContact O-N 3.22Å; A167-L170 PolarHBondContact O-N 3.49Å; Q168-L170 VanDerWaalsContact C-N 3.33Å; L170-L176 HydrophobicContact CD2-CB 4.43Å; L170-L176 HydrophobicContact CD2-CD2 3.9Å; L170-F194 HydrophobicContact CD1-CD1 4.02Å; L170-F194 HydrophobicContact CD1-CE1 3.85Å; L170-V197 HydrophobicContact CB-CG1 3.81Å; L170-N201 PolarHBondContact O-ND2 2.68Å; L170-M204 HydrophobicContact CD1-CG 4.32Å; L170-M204 HydrophobicContact CD1-SD 4.19Å; L170-M204 HydrophobicContact CD2-CG 4.27Å; L170-M204 HydrophobicContact CD2-SD 3.69Å
171Q98Very high97.8Very high126 Ų12637.6 Ų37.659%0.58918%0.182SC*.THydrogen-bonded Turntrans-71.9-23.7168.6-67.8176.751.100112.1A167 Q168 A169 V197A167-Q171 PolarHBondContact O-N 3.15Å; Q168-Q171 WeakPolarHBondContact O-CB 3.49Å; Q168-Q171 PolarHBondContact O-N 3.21Å; A169-Q171 PolarHBondContact O-N 3.42Å; Q171-V197 HydrophobicContact CB-CG1 4.48Å; Q171-V197 HydrophobicContact CG-CB 4.23Å; Q171-V197 HydrophobicContact CG-CG1 3.69Å; Q171-V197 HydrophobicContact CG-CG2 3.52Å
172I98Very high97.5Very high95 Ų9532 Ų3249%0.48716%0.158SC..THydrogen-bonded Turntrans-114-42.1-173.1-55.8173.8000110.8K143 A169 D174K143-I172 HydrophobicContact CD-CD1 4.24Å; K143-I172 HydrophobicContact CG-CD1 4.19Å; A169-I172 PolarHBondContact O-N 3.18Å; I172-D174 PolarHBondContact O-N 2.99Å
173N98.4Very high97.1Very high2 Ų234.4 Ų34.41%0.01117%0.169CC..  trans-70.6124.9179.6-174.8-58.3000110L142 N145 A169 T175 L176 N201L142-N173 WeakPolarHBondContact O-CB 3.12Å; L142-N173 PolarHBondContact O-ND2 2.96Å; N145-N173 PolarHBondContact O-ND2 2.79Å; A169-N173 WeakPolarHBondContact O-CB 3.07Å; A169-N173 PolarHBondContact O-N 2.9Å; N173-T175 PolarHBondContact ND2-OG1 2.98Å; N173-T175 PolarHBondContact OD1-N 3.3Å; N173-T175 PolarHBondContact OD1-OG1 3.43Å; N173-T175 VanDerWaalsContact OD1-OG1 3.13Å; N173-L176 WeakPolarHBondContact OD1-CB 3.36Å; N173-L176 PolarHBondContact OD1-N 2.89Å; N173-N201 PolarHBondContact O-ND2 2.96Å
174D97.6Very high96.9Very high106 Ų10634.4 Ų34.457%0.56717%0.169SC*.SBendtrans-118.318.3-176.858.6-10.4000112.6R146 I172 S203R146-D174 WeakPolarHBondContact CD-OD1 3.41Å; R146-D174 IonicContact CZ-OD1 3.88Å; R146-D174 IonicContact NE-OD1 3.61Å; R146-D174 PolarHBondContact NE-OD1 3.28Å; I172-D174 PolarHBondContact O-N 2.99Å; D174-S203 VanDerWaalsContact O-CB 3.24Å; D174-S203 WeakPolarHBondContact O-CB 3.11Å
175T97.7Very high96.6Very high34 Ų3435 Ų3521%0.20917%0.172CC..SBendtrans-127.4-28.6-174.549.80000113.6R146 N173 E177R146-T175 WeakPolarHBondContact CA-OG1 3.19Å; R146-T175 HydrophobicContact CB-CG2 4.05Å; R146-T175 HydrophobicContact CG-CG2 4.47Å; R146-T175 WeakPolarHBondContact O-CG2 3.25Å; N173-T175 PolarHBondContact ND2-OG1 2.98Å; N173-T175 PolarHBondContact OD1-N 3.3Å; N173-T175 PolarHBondContact OD1-OG1 3.43Å; N173-T175 VanDerWaalsContact OD1-OG1 3.13Å; T175-E177 PolarHBondContact O-N 3.38Å
176L98.1Very high96.4Very high0 Ų032.5 Ų32.50%016%0.162CC..  trans-67.1123.8173.8-162.376.9000108.3L142 L148 V149 L151 L170 N173 I179 S203 M204L142-L176 HydrophobicContact CD1-CD2 4.44Å; L142-L176 HydrophobicContact CD2-CD1 4.47Å; L148-L176 HydrophobicContact CD2-CD1 4.29Å; L148-L176 HydrophobicContact CG-CD1 4.31Å; L148-L176 WeakPolarHBondContact O-CD1 3.24Å; V149-L176 WeakPolarHBondContact O-CD1 3.41Å; L151-L176 HydrophobicContact CB-CD1 4.25Å; L170-L176 HydrophobicContact CD2-CB 4.43Å; L170-L176 HydrophobicContact CD2-CD2 3.9Å; N173-L176 WeakPolarHBondContact OD1-CB 3.36Å; N173-L176 PolarHBondContact OD1-N 2.89Å; L176-I179 HydrophobicContact CD2-CB 4Å; L176-I179 HydrophobicContact CD2-CD1 4.17Å; L176-I179 HydrophobicContact CD2-CG1 4.29Å; L176-S203 CarbonylContact O-C 3.58Å; L176-S203 WeakPolarHBondContact O-CB 3.43Å; L176-S203 PolarHBondContact O-OG 2.93Å; L176-M204 HydrophobicContact CB-SD 4.29Å; L176-M204 HydrophobicContact CD2-SD 4.26Å; L176-M204 HydrophobicContact CG-SD 4.32Å
177E97.7Very high96.1Very high94 Ų9434.9 Ų34.944%0.43918%0.175SC..  trans-101.8-29179-66.2-177.4-179.100110.9V149 T175 S203 I205 G206V149-E177 HydrophobicContact CG1-CB 3.69Å; V149-E177 HydrophobicContact CG1-CG 3.73Å; V149-E177 PolarHBondContact O-N 3.08Å; T175-E177 PolarHBondContact O-N 3.38Å; E177-S203 WeakPolarHBondContact CA-O 3.37Å; E177-I205 HydrophobicContact CB-CB 4.28Å; E177-I205 HydrophobicContact CB-CG1 3.9Å; E177-I205 HydrophobicContact CG-CG1 4.12Å; E177-I205 WeakPolarHBondContact O-CA 3.36Å; E177-I205 PolarHBondContact O-N 3.39Å; E177-G206 PolarHBondContact O-N 3.18Å
178F96.3Very high95.6Very high15 Ų1536.4 Ų36.47%0.06618%0.183CC..EExtended strand (participates in β ladder)trans-137.9132.5-175.1-173.5-82.4000112.9V149 I150 L151 D180 G206 N208 F406V149-F178 PolarHBondContact O-N 3.03Å; I150-F178 WeakPolarHBondContact CA-O 3.46Å; I150-F178 HydrophobicContact CB-CB 4.47Å; I150-F178 HydrophobicContact CG1-CB 4.15Å; I150-F178 HydrophobicContact CG2-CB 4.27Å; I150-F178 HydrophobicContact CG2-CD1 3.81Å; I150-F178 HydrophobicContact CG2-CG 4.39Å; L151-F178 PolarHBondContact N-O 3.02Å; F178-D180 HydrophobicContact CE1-CB 3.53Å; F178-D180 HydrophobicContact CZ-CB 3.94Å; F178-G206 WeakPolarHBondContact CA-O 3.29Å; F178-G206 WeakPolarHBondContact CD2-O 3.22Å; F178-N208 HydrophobicContact CZ-CB 4.27Å; F178-F406 HydrophobicContact CD1-CE1 4.27Å; F178-F406 HydrophobicContact CD2-CE1 4.43Å; F178-F406 HydrophobicContact CD2-CZ 4.17Å; F178-F406 HydrophobicContact CE1-CD1 4.02Å; F178-F406 AromaticContact CE1-CE1 3.28Å; F178-F406 HydrophobicContact CE1-CE1 3.28Å; F178-F406 AromaticContact CE1-CZ 3.93Å; F178-F406 HydrophobicContact CE1-CZ 3.93Å; F178-F406 AromaticContact CE2-CE1 3.5Å; F178-F406 HydrophobicContact CE2-CE1 3.5Å; F178-F406 VanDerWaalsContact CE2-CE1 3.5Å; F178-F406 HydrophobicContact CE2-CE2 4.06Å; F178-F406 AromaticContact CE2-CZ 3.19Å; F178-F406 HydrophobicContact CE2-CZ 3.19Å; F178-F406 AromaticContact CZ-CD1 3.67Å; F178-F406 HydrophobicContact CZ-CD1 3.67Å; F178-F406 AromaticContact CZ-CE1 2.85Å; F178-F406 HydrophobicContact CZ-CE1 2.85Å; F178-F406 HydrophobicContact CZ-CE2 4.01Å; F178-F406 HydrophobicContact CZ-CG 4.47Å; F178-F406 AromaticContact CZ-CZ 3.1Å; F178-F406 HydrophobicContact CZ-CZ 3.1Å
179I96.7Very high95.3Very high0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-135.5128.5173.1-159.5175.1000111.6L151 F166 L176 L181 M204 G206 I207 N208L151-I179 HydrophobicContact CB-CG1 4.36Å; L151-I179 HydrophobicContact CD2-CD1 4.39Å; L151-I179 HydrophobicContact CD2-CG1 4.44Å; L151-I179 WeakPolarHBondContact O-CA 3.45Å; F166-I179 HydrophobicContact CB-CD1 4.19Å; F166-I179 HydrophobicContact CD1-CD1 3.8Å; F166-I179 HydrophobicContact CE1-CD1 4.38Å; F166-I179 HydrophobicContact CG-CD1 4.02Å; L176-I179 HydrophobicContact CD2-CB 4Å; L176-I179 HydrophobicContact CD2-CD1 4.17Å; L176-I179 HydrophobicContact CD2-CG1 4.29Å; I179-L181 HydrophobicContact CD1-CD1 3.82Å; I179-L181 HydrophobicContact CD1-CD2 4.26Å; I179-L181 HydrophobicContact CD1-CG 4.08Å; I179-L181 HydrophobicContact CG1-CD1 4.23Å; I179-L181 HydrophobicContact CG1-CD2 4.3Å; I179-L181 HydrophobicContact CG1-CG 3.99Å; I179-M204 HydrophobicContact CB-CE 4.06Å; I179-M204 HydrophobicContact CG2-CE 3.59Å; I179-G206 PolarHBondContact N-O 3.41Å; I179-I207 HydrophobicContact CG2-CB 4.43Å; I179-I207 HydrophobicContact CG2-CD1 4.01Å; I179-I207 HydrophobicContact CG2-CG1 3.74Å; I179-I207 WeakPolarHBondContact O-CA 3.44Å; I179-N208 PolarHBondContact O-N 3.37Å
180D94.2Very high95.1Very high0 Ų035.7 Ų35.70%018%0.184CC..EExtended strand (participates in β ladder)trans-114.4111.6174.2173.5-5.4000111.1L151 M153 T154 F178 G182 N208 F406L151-D180 PolarHBondContact O-N 3.35Å; M153-D180 CarbonylContact C-O 3.42Å; M153-D180 WeakPolarHBondContact CA-O 3.28Å; M153-D180 WeakPolarHBondContact CB-O 3.32Å; M153-D180 PolarHBondContact N-O 3.11Å; T154-D180 PolarHBondContact OG1-OD1 2.91Å; T154-D180 PolarHBondContact OG1-OD2 3.18Å; F178-D180 HydrophobicContact CE1-CB 3.53Å; F178-D180 HydrophobicContact CZ-CB 3.94Å; D180-G182 PolarHBondContact OD1-N 2.84Å; D180-N208 HydrophobicContact CB-CB 3.99Å; D180-N208 PolarHBondContact OD1-ND2 2.81Å; D180-N208 PolarHBondContact OD2-ND2 3.07Å; D180-F406 HydrophobicContact CB-CD1 4.12Å; D180-F406 WeakPolarHBondContact OD2-CB 3.44Å; D180-F406 WeakPolarHBondContact OD2-CD1 3.28Å
181L95.6Very high94.9Very high0 Ų035.7 Ų35.70%019%0.185CC..  trans-122.532.5177.5-55.6169.7000110.6M153 I158 F166 I179 C184 Q186 F194 N208 L209M153-L181 HydrophobicContact CB-CD2 3.73Å; M153-L181 HydrophobicContact CG-CD2 4.29Å; I158-L181 HydrophobicContact CD1-CD2 3.87Å; F166-L181 HydrophobicContact CB-CD1 4.18Å; F166-L181 HydrophobicContact CD2-CD1 3.97Å; F166-L181 HydrophobicContact CD2-CD2 3.86Å; F166-L181 HydrophobicContact CE2-CD2 3.79Å; F166-L181 HydrophobicContact CG-CD1 4.22Å; F166-L181 HydrophobicContact CZ-CD2 4.4Å; I179-L181 HydrophobicContact CD1-CD1 3.82Å; I179-L181 HydrophobicContact CD1-CD2 4.26Å; I179-L181 HydrophobicContact CD1-CG 4.08Å; I179-L181 HydrophobicContact CG1-CD1 4.23Å; I179-L181 HydrophobicContact CG1-CD2 4.3Å; I179-L181 HydrophobicContact CG1-CG 3.99Å; L181-C184 WeakPolarHBondContact O-CB 3.4Å; L181-C184 PolarHBondContact O-SG 3.38Å; L181-C184 VanDerWaalsContact O-SG 3.4Å; L181-Q186 PolarHBondContact O-NE2 3.23Å; L181-F194 HydrophobicContact CD1-CE1 4.1Å; L181-F194 HydrophobicContact CD1-CE2 3.84Å; L181-F194 HydrophobicContact CD1-CZ 3.27Å; L181-N208 CarbonylContact C-O 3.54Å; L181-N208 PolarHBondContact N-O 3.43Å; L181-L209 HydrophobicContact CB-CD2 4.22Å
182G91.7Very high94.7Very high0 Ų031.9 Ų31.90%017%0.168CC..THydrogen-bonded Turntrans-68.6144.2177.100000112.2T154 G155 D180 C184 N208 N210T154-G182 CarbonylContact C-O 3.13Å; T154-G182 WeakPolarHBondContact CA-O 3.26Å; T154-G182 WeakPolarHBondContact CG2-O 3.3Å; G155-G182 PolarHBondContact N-O 3.44Å; D180-G182 PolarHBondContact OD1-N 2.84Å; G182-C184 PolarHBondContact O-N 2.97Å; G182-C184 PolarHBondContact O-SG 2.94Å; G182-N208 PolarHBondContact N-O 3.25Å; G182-N210 CarbonylContact C-O 3.57Å; G182-N210 VanDerWaalsContact CA-O 3.27Å; G182-N210 WeakPolarHBondContact CA-O 3.24Å
183E90.3Very high94.7Very high49 Ų4928.2 Ų28.223%0.22915%0.151CC..THydrogen-bonded Turntrans57.334.8178.8-35.3-149.716500113.4T154 G155 N210 R211 K242T154-E183 HydrophobicContact CG2-CB 4.45Å; T154-E183 HydrophobicContact CG2-CG 4.19Å; G155-E183 WeakPolarHBondContact CA-O 3.45Å; E183-N210 PolarHBondContact N-O 2.73Å; E183-R211 HydrophobicContact CB-CB 4.3Å; E183-R211 HydrophobicContact CG-CB 3.82Å; E183-R211 HydrophobicContact CG-CG 4.35Å; E183-R211 WeakPolarHBondContact OE2-CD 3.34Å; E183-K242 IonicContact OE1-NZ 2.71Å; E183-K242 PolarHBondContact OE1-NZ 2.9Å
184C94.4Very high94.7Very high0 Ų028.1 Ų28.10%015%0.151CC..SBendtrans-106.727.6-175.2-61.90000115.1M153 N156 I158 G159 L181 G182 Q186M153-C184 PolarHBondContact O-SG 3.48Å; N156-C184 CarbonylContact O-C 3.55Å; N156-C184 WeakPolarHBondContact O-CA 3.46Å; N156-C184 WeakPolarHBondContact O-CB 3.43Å; N156-C184 PolarHBondContact O-SG 3.4Å; I158-C184 HydrophobicContact CD1-CB 3.86Å; I158-C184 HydrophobicContact CG1-CB 3.84Å; I158-C184 PolarHBondContact N-O 3.02Å; G159-C184 PolarHBondContact N-O 3.33Å; G159-C184 VanDerWaalsContact N-O 3.14Å; L181-C184 WeakPolarHBondContact O-CB 3.4Å; L181-C184 PolarHBondContact O-SG 3.38Å; L181-C184 VanDerWaalsContact O-SG 3.4Å; G182-C184 PolarHBondContact O-N 2.97Å; G182-C184 PolarHBondContact O-SG 2.94Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 HydrophobicContact CB-CG 4.1Å; C184-Q186 WeakPolarHBondContact O-CG 3.21Å; C184-Q186 PolarHBondContact O-N 3.25Å
185D93.1Very high94.7Very high67 Ų6723 Ų2336%0.35812%0.124SC..  trans56.330.8176.4-62.5-12.6000115.7P157 G159 I213P157-D185 WeakPolarHBondContact CB-OD2 3.21Å; G159-D185 WeakPolarHBondContact CA-O 3.44Å; D185-I213 HydrophobicContact CB-CD1 3.82Å
186Q93.6Very high94.8Very high0 Ų024.9 Ų24.90%014%0.135CC..  trans-92.9151.6178.5-9169.940.300111.3I158 L181 C184 S190 Q212 I213I158-Q186 HydrophobicContact CG1-CG 4.47Å; L181-Q186 PolarHBondContact O-NE2 3.23Å; C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 HydrophobicContact CB-CG 4.1Å; C184-Q186 WeakPolarHBondContact O-CG 3.21Å; C184-Q186 PolarHBondContact O-N 3.25Å; Q186-S190 PolarHBondContact OE1-OG 3.48Å; Q186-Q212 VanDerWaalsContact C-OE1 3.25Å; Q186-Q212 VanDerWaalsContact CG-OE1 3.24Å; Q186-Q212 CarbonylContact O-C 3.51Å; Q186-Q212 WeakPolarHBondContact O-CA 3.24Å; Q186-Q212 WeakPolarHBondContact O-CB 3.4Å; Q186-Q212 PolarHBondContact O-OE1 2.87Å; Q186-I213 PolarHBondContact O-N 3.25Å
187D91.7Very high94.8Very high50 Ų5025.4 Ų25.427%0.26714%0.138SC..  trans-106.3-170.3175.569.144.2000112.3S160 T189 S190 C191S160-D187 WeakPolarHBondContact CB-OD2 3.48Å; S160-D187 PolarHBondContact OG-N 3.06Å; S160-D187 PolarHBondContact OG-OD1 3.01Å; S160-D187 PolarHBondContact OG-OD2 3.32Å; D187-T189 VanDerWaalsContact C-N 3.25Å; D187-T189 PolarHBondContact O-N 3.31Å; D187-T189 WeakPolarHBondContact OD1-CA 3.39Å; D187-T189 WeakPolarHBondContact OD1-CB 3.32Å; D187-T189 PolarHBondContact OD1-N 3.45Å; D187-T189 PolarHBondContact OD1-OG1 2.98Å; D187-S190 PolarHBondContact O-N 3.37Å; D187-C191 PolarHBondContact O-N 3.36Å
188I90Very high94.8Very high35 Ų3520.9 Ų20.918%0.17912%0.117CC..Hα-helixtrans-57.5-32.9-179.3-163.7163.4000113.8S190 C191 I192 L214 T216 E220I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.47Å; I188-C191 WeakPolarHBondContact O-CB 3.47Å; I188-C191 PolarHBondContact O-N 3.02Å; I188-I192 HydrophobicContact CG1-CD1 3.98Å; I188-I192 HydrophobicContact CG1-CG1 4.29Å; I188-I192 VanDerWaalsContact O-CG1 3.28Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.44Å; I188-L214 HydrophobicContact CB-CD2 3.98Å; I188-T216 HydrophobicContact CD1-CG2 4.37Å; I188-E220 HydrophobicContact CD1-CB 3.91Å; I188-E220 WeakPolarHBondContact CD1-OE2 3.29Å
189T92Very high94.9Very high74 Ų7423 Ų2345%0.45413%0.126SC..Hα-helixtrans-61.4-43-179.6-45.70000111D187 A193D187-T189 VanDerWaalsContact C-N 3.25Å; D187-T189 PolarHBondContact O-N 3.31Å; D187-T189 WeakPolarHBondContact OD1-CA 3.39Å; D187-T189 WeakPolarHBondContact OD1-CB 3.32Å; D187-T189 PolarHBondContact OD1-N 3.45Å; D187-T189 PolarHBondContact OD1-OG1 2.98Å; T189-A193 PolarHBondContact O-N 3.47Å; T189-A193 VanDerWaalsContact O-N 3.11Å
190S94.2Very high95Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-64.4-45.7176.7-176.40000111.1G163 Q186 D187 I188 I192 A193 F194G163-S190 WeakPolarHBondContact CA-OG 3.45Å; Q186-S190 PolarHBondContact OE1-OG 3.48Å; D187-S190 PolarHBondContact O-N 3.37Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.47Å; S190-I192 VanDerWaalsContact C-N 3.33Å; S190-I192 PolarHBondContact O-N 3.31Å; S190-A193 WeakPolarHBondContact O-CB 3.24Å; S190-A193 PolarHBondContact O-N 3.03Å; S190-A193 VanDerWaalsContact O-N 3.09Å; S190-F194 VanDerWaalsContact O-CD2 3.26Å; S190-F194 WeakPolarHBondContact O-CD2 3.28Å; S190-F194 PolarHBondContact O-N 3.26Å; S190-F194 WeakPolarHBondContact OG-CE2 3.43Å
191C93.4Very high95.2Very high3 Ų327.2 Ų27.22%0.0216%0.155CC..Hα-helixtrans-57.7-45178.4-640000112.3D187 I188 A193 F194 A195 F225D187-C191 PolarHBondContact O-N 3.36Å; I188-C191 WeakPolarHBondContact O-CB 3.47Å; I188-C191 PolarHBondContact O-N 3.02Å; C191-A193 VanDerWaalsContact C-N 3.3Å; C191-A193 PolarHBondContact O-N 3.47Å; C191-F194 PolarHBondContact O-N 2.94Å; C191-A195 WeakPolarHBondContact O-CB 3.36Å; C191-A195 PolarHBondContact O-N 2.9Å; C191-F225 HydrophobicContact CB-CE2 4.06Å; C191-F225 HydrophobicContact CB-CZ 4.48Å
192I94.7Very high95.3Very high45 Ų4533.3 Ų33.323%0.23118%0.178CC..Hα-helixtrans-63.9-38.4178.1-66.6175.1000110.7I188 S190 A195 T196 H224I188-I192 HydrophobicContact CG1-CD1 3.98Å; I188-I192 HydrophobicContact CG1-CG1 4.29Å; I188-I192 VanDerWaalsContact O-CG1 3.28Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.44Å; S190-I192 VanDerWaalsContact C-N 3.33Å; S190-I192 PolarHBondContact O-N 3.31Å; I192-A195 PolarHBondContact O-N 3Å; I192-T196 VanDerWaalsContact O-CB 3.31Å; I192-T196 WeakPolarHBondContact O-CB 3.27Å; I192-T196 PolarHBondContact O-N 2.78Å; I192-T196 PolarHBondContact O-OG1 3.4Å; I192-H224 HydrophobicContact CG1-CB 4.5Å; I192-H224 VanDerWaalsContact CG1-CD2 3.47Å; I192-H224 WeakPolarHBondContact CG1-CD2 3.48Å
193A97.6Very high95.6Very high18 Ų1834 Ų3415%0.14918%0.183CC..Hα-helixtrans-64-44.9176.500000112.1L164 A167 T189 S190 C191 T196 V197L164-A193 HydrophobicContact CD2-CB 3.44Å; L164-A193 VanDerWaalsContact CD2-CB 3.44Å; A167-A193 HydrophobicContact CB-CB 3.83Å; T189-A193 PolarHBondContact O-N 3.47Å; T189-A193 VanDerWaalsContact O-N 3.11Å; S190-A193 WeakPolarHBondContact O-CB 3.24Å; S190-A193 PolarHBondContact O-N 3.03Å; S190-A193 VanDerWaalsContact O-N 3.09Å; C191-A193 VanDerWaalsContact C-N 3.3Å; C191-A193 PolarHBondContact O-N 3.47Å; A193-T196 PolarHBondContact O-N 2.83Å; A193-V197 WeakPolarHBondContact O-CG2 3.47Å; A193-V197 PolarHBondContact O-N 2.78Å
194F98.3Very high95.9Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-60.6-50.7173.5-77.5-68000111.9G163 F166 A167 L170 L181 S190 C191 T196 V197 L198 I207 L209G163-F194 WeakPolarHBondContact O-CZ 3.17Å; F166-F194 HydrophobicContact CB-CE1 4.1Å; F166-F194 HydrophobicContact CB-CZ 3.76Å; A167-F194 HydrophobicContact CB-CD1 4.19Å; A167-F194 HydrophobicContact CB-CE1 4.18Å; A167-F194 HydrophobicContact CB-CG 4.47Å; A167-F194 HydrophobicContact CB-CZ 4.46Å; L170-F194 HydrophobicContact CD1-CD1 4.02Å; L170-F194 HydrophobicContact CD1-CE1 3.85Å; L181-F194 HydrophobicContact CD1-CE1 4.1Å; L181-F194 HydrophobicContact CD1-CE2 3.84Å; L181-F194 HydrophobicContact CD1-CZ 3.27Å; S190-F194 VanDerWaalsContact O-CD2 3.26Å; S190-F194 WeakPolarHBondContact O-CD2 3.28Å; S190-F194 PolarHBondContact O-N 3.26Å; S190-F194 WeakPolarHBondContact OG-CE2 3.43Å; C191-F194 PolarHBondContact O-N 2.94Å; F194-T196 PolarHBondContact O-N 3.26Å; F194-V197 PolarHBondContact O-N 3.47Å; F194-L198 WeakPolarHBondContact O-CB 3.5Å; F194-L198 WeakPolarHBondContact O-CG 3.45Å; F194-L198 PolarHBondContact O-N 3.26Å; F194-I207 HydrophobicContact CB-CD1 4.16Å; F194-I207 HydrophobicContact CD1-CD1 3.68Å; F194-I207 HydrophobicContact CE1-CD1 4.26Å; F194-I207 HydrophobicContact CG-CD1 3.93Å; F194-L209 HydrophobicContact CB-CD1 4.05Å; F194-L209 HydrophobicContact CD2-CD1 4.01Å; F194-L209 HydrophobicContact CD2-CD2 3.82Å; F194-L209 HydrophobicContact CE2-CD2 3.89Å; F194-L209 HydrophobicContact CG-CD1 4.17Å
195A98.1Very high96Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-57.3-35.8177.400000112.2C191 I192 H224 F225 M228C191-A195 WeakPolarHBondContact O-CB 3.36Å; C191-A195 PolarHBondContact O-N 2.9Å; I192-A195 PolarHBondContact O-N 3Å; A195-H224 HydrophobicContact CB-CB 3.78Å; A195-F225 HydrophobicContact CB-CD1 4.07Å; A195-F225 HydrophobicContact CB-CE1 4.07Å; A195-F225 HydrophobicContact CB-CG 4.34Å; A195-F225 HydrophobicContact CB-CZ 4.33Å; A195-M228 HydrophobicContact CB-CB 4.35Å; A195-M228 WeakPolarHBondContact O-CB 3.4Å; A195-M228 WeakPolarHBondContact O-CG 3.43Å
196T98.3Very high96.2Very high73 Ų7330.9 Ų30.945%0.44817%0.167SC..Hα-helixtrans-68-49.2177-60.30000111.8I192 A193 F194 K199I192-T196 VanDerWaalsContact O-CB 3.31Å; I192-T196 WeakPolarHBondContact O-CB 3.27Å; I192-T196 PolarHBondContact O-N 2.78Å; I192-T196 PolarHBondContact O-OG1 3.4Å; A193-T196 PolarHBondContact O-N 2.83Å; F194-T196 PolarHBondContact O-N 3.26Å; T196-K199 WeakPolarHBondContact O-CB 3.11Å; T196-K199 PolarHBondContact O-N 3.28Å
197V98.4Very high96.3Very high10 Ų1030.9 Ų30.96%0.06117%0.167CC..Hα-helixtrans-70-36-177171.70000111.8A167 L170 Q171 A193 F194 K199 S200 N201A167-V197 HydrophobicContact CB-CG2 4.33Å; A167-V197 WeakPolarHBondContact O-CG2 3.31Å; L170-V197 HydrophobicContact CB-CG1 3.81Å; Q171-V197 HydrophobicContact CB-CG1 4.48Å; Q171-V197 HydrophobicContact CG-CB 4.23Å; Q171-V197 HydrophobicContact CG-CG1 3.69Å; Q171-V197 HydrophobicContact CG-CG2 3.52Å; A193-V197 WeakPolarHBondContact O-CG2 3.47Å; A193-V197 PolarHBondContact O-N 2.78Å; F194-V197 PolarHBondContact O-N 3.47Å; V197-K199 PolarHBondContact O-N 3.34Å; V197-S200 PolarHBondContact O-N 3.11Å; V197-S200 VanDerWaalsContact O-N 3.07Å; V197-S200 PolarHBondContact O-OG 2.83Å; V197-N201 PolarHBondContact O-N 3.15Å
198L98.6Very high96.4Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-65.6-17177.4-69.1173.7000112.7F194 S200 N201 M204 I207 M228 N232F194-L198 WeakPolarHBondContact O-CB 3.5Å; F194-L198 WeakPolarHBondContact O-CG 3.45Å; F194-L198 PolarHBondContact O-N 3.26Å; L198-S200 PolarHBondContact O-N 3.26Å; L198-N201 HydrophobicContact CD2-CB 4.41Å; L198-M204 HydrophobicContact CD2-CB 3.7Å; L198-M204 HydrophobicContact CD2-CG 3.73Å; L198-I207 HydrophobicContact CD1-CD1 4.04Å; L198-I207 HydrophobicContact CD1-CG2 4.17Å; L198-M228 HydrophobicContact CB-CE 4.44Å; L198-M228 HydrophobicContact CB-CG 3.7Å; L198-M228 HydrophobicContact CB-SD 3.83Å; L198-M228 HydrophobicContact CD1-CE 4.27Å; L198-N232 PolarHBondContact O-ND2 3.19Å
199K98.3Very high96.6Very high58 Ų5826.8 Ų26.825%0.25215%0.146SC..THydrogen-bonded Turntrans-60.4-33.2170.3-71.3175.3178.7-174.80112.3T196 V197 R202 M228 I231T196-K199 WeakPolarHBondContact O-CB 3.11Å; T196-K199 PolarHBondContact O-N 3.28Å; V197-K199 PolarHBondContact O-N 3.34Å; K199-R202 PolarHBondContact O-NH1 2.93Å; K199-R202 PolarHBondContact O-NH2 2.77Å; K199-M228 HydrophobicContact CG-CB 4.13Å; K199-M228 HydrophobicContact CG-CG 4.11Å; K199-I231 HydrophobicContact CB-CG2 4.38Å; K199-I231 HydrophobicContact CD-CD1 3.99Å; K199-I231 HydrophobicContact CG-CD1 4.17Å
200S97.6Very high96.5Very high79 Ų7923.3 Ų23.355%0.55212%0.124SC*.THydrogen-bonded Turntrans-109.5-25.6-178.454.50000114.5V197 L198 R202V197-S200 PolarHBondContact O-N 3.11Å; V197-S200 VanDerWaalsContact O-N 3.07Å; V197-S200 PolarHBondContact O-OG 2.83Å; L198-S200 PolarHBondContact O-N 3.26Å; S200-R202 PolarHBondContact O-NH1 2.68Å
201N98.4Very high96.2Very high11 Ų1128.4 Ų28.46%0.05914%0.144CC..  trans-63.7139.6175.4-176.8-69.5000110.5L170 N173 V197 L198 S203 M204 N232L170-N201 PolarHBondContact O-ND2 2.68Å; N173-N201 PolarHBondContact O-ND2 2.96Å; V197-N201 PolarHBondContact O-N 3.15Å; L198-N201 HydrophobicContact CD2-CB 4.41Å; N201-S203 PolarHBondContact ND2-OG 3.1Å; N201-S203 PolarHBondContact OD1-N 3.4Å; N201-S203 PolarHBondContact OD1-OG 2.95Å; N201-M204 WeakPolarHBondContact OD1-CB 3.18Å; N201-M204 VanDerWaalsContact OD1-CG 3.27Å; N201-M204 WeakPolarHBondContact OD1-CG 3.45Å; N201-M204 PolarHBondContact OD1-N 2.8Å; N201-N232 PolarHBondContact O-ND2 3Å
202R98Very high95.7Very high128 Ų12828.8 Ų28.848%0.48315%0.145SC..  trans-125.82.9-178.1-59-65.8174.7-98.1-0.5113.5K199 S200 T234K199-R202 PolarHBondContact O-NH1 2.93Å; K199-R202 PolarHBondContact O-NH2 2.77Å; S200-R202 PolarHBondContact O-NH1 2.68Å; R202-T234 HydrophobicContact CB-CG2 4.06Å; R202-T234 WeakPolarHBondContact O-CG2 3.48Å
203S97.9Very high95Very high14 Ų1429.5 Ų29.510%0.09815%0.149CC..SBendtrans-93.3-35.5177.266.40000111.4D174 L176 E177 N201 I205D174-S203 VanDerWaalsContact O-CB 3.24Å; D174-S203 WeakPolarHBondContact O-CB 3.11Å; L176-S203 CarbonylContact O-C 3.58Å; L176-S203 WeakPolarHBondContact O-CB 3.43Å; L176-S203 PolarHBondContact O-OG 2.93Å; E177-S203 WeakPolarHBondContact CA-O 3.37Å; N201-S203 PolarHBondContact ND2-OG 3.1Å; N201-S203 PolarHBondContact OD1-N 3.4Å; N201-S203 PolarHBondContact OD1-OG 2.95Å; S203-I205 PolarHBondContact O-N 3.47Å
204M98Very high93.8Very high0 Ų030.5 Ų30.50%015%0.152CC..  trans-65.7125-175.8-66.5-62.1-52.500111.4L170 L176 I179 L198 N201 G206 T234L170-M204 HydrophobicContact CD1-CG 4.32Å; L170-M204 HydrophobicContact CD1-SD 4.19Å; L170-M204 HydrophobicContact CD2-CG 4.27Å; L170-M204 HydrophobicContact CD2-SD 3.69Å; L176-M204 HydrophobicContact CB-SD 4.29Å; L176-M204 HydrophobicContact CD2-SD 4.26Å; L176-M204 HydrophobicContact CG-SD 4.32Å; I179-M204 HydrophobicContact CB-CE 4.06Å; I179-M204 HydrophobicContact CG2-CE 3.59Å; L198-M204 HydrophobicContact CD2-CB 3.7Å; L198-M204 HydrophobicContact CD2-CG 3.73Å; N201-M204 WeakPolarHBondContact OD1-CB 3.18Å; N201-M204 VanDerWaalsContact OD1-CG 3.27Å; N201-M204 WeakPolarHBondContact OD1-CG 3.45Å; N201-M204 PolarHBondContact OD1-N 2.8Å; M204-G206 WeakPolarHBondContact CE-O 3.28Å; M204-T234 CarbonylContact O-C 3.52Å; M204-T234 PolarHBondContact O-OG1 3.5Å
205I96.9Very high92.4Very high50 Ų5041.9 Ų41.926%0.25620%0.195SC..  trans-103.7-37.9174.5-58-55000110.4E177 S203 T234 K236 E237E177-I205 HydrophobicContact CB-CB 4.28Å; E177-I205 HydrophobicContact CB-CG1 3.9Å; E177-I205 HydrophobicContact CG-CG1 4.12Å; E177-I205 WeakPolarHBondContact O-CA 3.36Å; E177-I205 PolarHBondContact O-N 3.39Å; S203-I205 PolarHBondContact O-N 3.47Å; I205-T234 WeakPolarHBondContact CD1-O 3.49Å; I205-K236 HydrophobicContact CG2-CB 3.92Å; I205-K236 HydrophobicContact CG2-CD 3.89Å; I205-K236 HydrophobicContact CG2-CG 4Å; I205-K236 WeakPolarHBondContact O-CA 3.33Å; I205-K236 PolarHBondContact O-N 2.87Å; I205-E237 PolarHBondContact O-N 2.98Å
206G95.7Very high91.1Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-142.8143.5-178.800000114.2E177 F178 I179 M204 E237E177-G206 PolarHBondContact O-N 3.18Å; F178-G206 WeakPolarHBondContact CA-O 3.29Å; F178-G206 WeakPolarHBondContact CD2-O 3.22Å; I179-G206 PolarHBondContact N-O 3.41Å; M204-G206 WeakPolarHBondContact CE-O 3.28Å; G206-E237 WeakPolarHBondContact CA-O 3.03Å
207I96Very high89.7Confident0 Ų046.4 Ų46.40%022%0.217CC..EExtended strand (participates in β ladder)trans-138.4129.9175.6-169.7169.5000111.5I179 F194 L198 L209 L235 E237 L238 H239I179-I207 HydrophobicContact CG2-CB 4.43Å; I179-I207 HydrophobicContact CG2-CD1 4.01Å; I179-I207 HydrophobicContact CG2-CG1 3.74Å; I179-I207 WeakPolarHBondContact O-CA 3.44Å; F194-I207 HydrophobicContact CB-CD1 4.16Å; F194-I207 HydrophobicContact CD1-CD1 3.68Å; F194-I207 HydrophobicContact CE1-CD1 4.26Å; F194-I207 HydrophobicContact CG-CD1 3.93Å; L198-I207 HydrophobicContact CD1-CD1 4.04Å; L198-I207 HydrophobicContact CD1-CG2 4.17Å; I207-L209 HydrophobicContact CD1-CD1 3.79Å; I207-L209 HydrophobicContact CD1-CD2 4.39Å; I207-L209 HydrophobicContact CD1-CG 3.99Å; I207-L209 HydrophobicContact CG1-CD1 4.24Å; I207-L209 HydrophobicContact CG1-CG 3.98Å; I207-L235 HydrophobicContact CG2-CD1 4.07Å; I207-L235 HydrophobicContact CG2-CD2 4.29Å; I207-E237 PolarHBondContact N-O 3.38Å; I207-L238 HydrophobicContact CG2-CD1 3.73Å; I207-H239 PolarHBondContact O-N 3.09Å
208N93.3Very high88.5Confident0 Ų051.7 Ų51.70%024%0.241CC..EExtended strand (participates in β ladder)trans-107.9116.4170.5175.515.7000111.3F178 I179 D180 L181 G182 N210 H239 F406F178-N208 HydrophobicContact CZ-CB 4.27Å; I179-N208 PolarHBondContact O-N 3.37Å; D180-N208 HydrophobicContact CB-CB 3.99Å; D180-N208 PolarHBondContact OD1-ND2 2.81Å; D180-N208 PolarHBondContact OD2-ND2 3.07Å; L181-N208 CarbonylContact C-O 3.54Å; L181-N208 PolarHBondContact N-O 3.43Å; G182-N208 PolarHBondContact N-O 3.25Å; N208-N210 WeakPolarHBondContact OD1-CB 3.44Å; N208-N210 PolarHBondContact OD1-N 2.93Å; N208-N210 PolarHBondContact OD1-ND2 3.48Å; N208-N210 PolarHBondContact OD1-OD1 2.74Å; N208-H239 HydrophobicContact CB-CB 4.05Å; N208-F406 HydrophobicContact CB-CD2 4.34Å; N208-F406 HydrophobicContact CB-CG 4.19Å; N208-F406 WeakPolarHBondContact ND2-CB 3.5Å
209L94.4Very high87.7Confident0 Ų053 Ų530%025%0.247CC..  trans-123.633175.3-68171.1000111.1L181 F194 I207 Q212 F225 H239 L240L181-L209 HydrophobicContact CB-CD2 4.22Å; F194-L209 HydrophobicContact CB-CD1 4.05Å; F194-L209 HydrophobicContact CD2-CD1 4.01Å; F194-L209 HydrophobicContact CD2-CD2 3.82Å; F194-L209 HydrophobicContact CE2-CD2 3.89Å; F194-L209 HydrophobicContact CG-CD1 4.17Å; I207-L209 HydrophobicContact CD1-CD1 3.79Å; I207-L209 HydrophobicContact CD1-CD2 4.39Å; I207-L209 HydrophobicContact CD1-CG 3.99Å; I207-L209 HydrophobicContact CG1-CD1 4.24Å; I207-L209 HydrophobicContact CG1-CG 3.98Å; L209-Q212 VanDerWaalsContact C-NE2 3.28Å; L209-Q212 VanDerWaalsContact O-CG 3.23Å; L209-Q212 WeakPolarHBondContact O-CG 3.46Å; L209-Q212 PolarHBondContact O-NE2 2.99Å; L209-F225 HydrophobicContact CD1-CE1 4.21Å; L209-F225 HydrophobicContact CD1-CE2 4.47Å; L209-F225 HydrophobicContact CD1-CZ 3.52Å; L209-H239 PolarHBondContact N-O 3.49Å; L209-L240 HydrophobicContact CB-CD2 4.23Å
210N91.3Very high87.2Confident1 Ų153.2 Ų53.21%0.00525%0.249CC..  trans-58.6150.2177.8-70.5-8.7000112.4G182 E183 N208 H239 L240 A241G182-N210 CarbonylContact C-O 3.57Å; G182-N210 VanDerWaalsContact CA-O 3.27Å; G182-N210 WeakPolarHBondContact CA-O 3.24Å; E183-N210 PolarHBondContact N-O 2.73Å; N208-N210 WeakPolarHBondContact OD1-CB 3.44Å; N208-N210 PolarHBondContact OD1-N 2.93Å; N208-N210 PolarHBondContact OD1-ND2 3.48Å; N208-N210 PolarHBondContact OD1-OD1 2.74Å; N210-H239 WeakPolarHBondContact OD1-CB 3.46Å; N210-H239 PolarHBondContact OD1-O 3.39Å; N210-L240 PolarHBondContact OD1-N 3.16Å; N210-L240 VanDerWaalsContact OD1-N 3.15Å; N210-A241 CarbonylContact C-O 3.45Å; N210-A241 VanDerWaalsContact CA-O 3.24Å; N210-A241 WeakPolarHBondContact CA-O 3.49Å; N210-A241 HydrophobicContact CB-CB 4.26Å; N210-A241 WeakPolarHBondContact OD1-CB 3.19Å; N210-A241 PolarHBondContact OD1-N 3.48Å
211R87.4Confident86.9Confident106 Ų10649.9 Ų49.940%0.423%0.226SC..SBendtrans55.663.2171.6-162.9-175.6171.8-93-1.3113.7E183 A241 K242E183-R211 HydrophobicContact CB-CB 4.3Å; E183-R211 HydrophobicContact CG-CB 3.82Å; E183-R211 HydrophobicContact CG-CG 4.35Å; E183-R211 WeakPolarHBondContact OE2-CD 3.34Å; R211-A241 PolarHBondContact N-O 3.02Å; R211-K242 WeakPolarHBondContact CA-O 3.48Å; R211-K242 HydrophobicContact CB-CB 4.05Å; R211-K242 HydrophobicContact CB-CD 4.06Å; R211-K242 HydrophobicContact CG-CB 4.32Å; R211-K242 HydrophobicContact CG-CD 4.09Å
212Q83.4Confident86.6Confident12 Ų1249.6 Ų49.66%0.05623%0.225CC..  trans-83.9146.7170.9-54.7-61.1-21.700110.5Q186 L209 L214Q186-Q212 VanDerWaalsContact C-OE1 3.25Å; Q186-Q212 VanDerWaalsContact CG-OE1 3.24Å; Q186-Q212 CarbonylContact O-C 3.51Å; Q186-Q212 WeakPolarHBondContact O-CA 3.24Å; Q186-Q212 WeakPolarHBondContact O-CB 3.4Å; Q186-Q212 PolarHBondContact O-OE1 2.87Å; L209-Q212 VanDerWaalsContact C-NE2 3.28Å; L209-Q212 VanDerWaalsContact O-CG 3.23Å; L209-Q212 WeakPolarHBondContact O-CG 3.46Å; L209-Q212 PolarHBondContact O-NE2 2.99Å; Q212-L214 HydrophobicContact CB-CD2 4.27Å; Q212-L214 HydrophobicContact CB-CG 4.23Å; Q212-L214 PolarHBondContact O-N 3.14Å; Q212-L214 VanDerWaalsContact O-N 3.1Å
213I78.3Confident86.5Confident59 Ų5945.8 Ų45.830%0.30322%0.215SC..  trans-79.592.7175.3-52.5179.3000108.2D185 Q186 W215D185-I213 HydrophobicContact CB-CD1 3.82Å; Q186-I213 PolarHBondContact O-N 3.25Å; I213-W215 HydrophobicContact CG2-CD2 4.43Å; I213-W215 HydrophobicContact CG2-CZ2 3.87Å
214L72.4Confident86.5Confident40 Ų4047.8 Ų47.821%0.20922%0.223CC..  trans-101.4111.6177.2-57.8177.6000109.9I188 Q212 T216 C243I188-L214 HydrophobicContact CB-CD2 3.98Å; Q212-L214 HydrophobicContact CB-CD2 4.27Å; Q212-L214 HydrophobicContact CB-CG 4.23Å; Q212-L214 PolarHBondContact O-N 3.14Å; Q212-L214 VanDerWaalsContact O-N 3.1Å; L214-T216 VanDerWaalsContact C-N 3.34Å; L214-C243 HydrophobicContact CD1-CB 4.35Å; L214-C243 WeakPolarHBondContact CD1-O 3.31Å
215W70.3Confident86.5Confident239 Ų23947.8 Ų47.891%0.90522%0.223SC*.  trans-90.71.1175-6098000113.2I213I213-W215 HydrophobicContact CG2-CD2 4.43Å; I213-W215 HydrophobicContact CG2-CZ2 3.87Å
216T71.2Confident86.5Confident43 Ų4345.8 Ų45.826%0.26421%0.214SC..  trans-114.1151.2-176.2-178.40000111.1I188 L214 Q218I188-T216 HydrophobicContact CD1-CG2 4.37Å; L214-T216 VanDerWaalsContact C-N 3.34Å; T216-Q218 HydrophobicContact CG2-CB 4.39Å; T216-Q218 WeakPolarHBondContact OG1-CB 3.29Å; T216-Q218 WeakPolarHBondContact OG1-CG 3.46Å; T216-Q218 PolarHBondContact OG1-N 2.97Å; T216-Q218 PolarHBondContact OG1-OE1 2.69Å
217L68.7Low86.6Confident125 Ų12549.3 Ų49.365%0.65423%0.232SC*.SBendtrans-82-8.1169.6-61.1177.6000112.2R246L217-R246 PolarHBondContact O-NH1 2.75Å
218Q72.2Confident86.7Confident121 Ų12149.3 Ų49.357%0.56523%0.232SC*.  trans-83137.9-178-58.7167.7-48.400110.1T216 E220T216-Q218 HydrophobicContact CG2-CB 4.39Å; T216-Q218 WeakPolarHBondContact OG1-CB 3.29Å; T216-Q218 WeakPolarHBondContact OG1-CG 3.46Å; T216-Q218 PolarHBondContact OG1-N 2.97Å; T216-Q218 PolarHBondContact OG1-OE1 2.69Å; Q218-E220 WeakPolarHBondContact CB-OE1 3.16Å; Q218-E220 WeakPolarHBondContact CB-OE2 3.45Å; Q218-E220 PolarHBondContact OE1-OE1 3.19Å; Q218-E220 VanDerWaalsContact OE1-OE1 3.04Å
219E82.6Confident87Confident26 Ų2649.3 Ų49.312%0.12123%0.232CC..  trans-102.636.3-174.6-62.1178.78100111.2S221 T222 M245 R246 F248 G249E219-S221 PolarHBondContact O-N 2.78Å; E219-T222 HydrophobicContact CB-CG2 4.1Å; E219-T222 WeakPolarHBondContact O-CB 3.45Å; E219-T222 PolarHBondContact O-N 3.27Å; E219-T222 PolarHBondContact O-OG1 3.49Å; E219-M245 WeakPolarHBondContact OE1-CA 3.28Å; E219-R246 PolarHBondContact OE1-N 3.25Å; E219-F248 HydrophobicContact CB-CD1 4.12Å; E219-F248 WeakPolarHBondContact OE2-CB 3.37Å; E219-G249 VanDerWaalsContact OE1-CA 3.24Å; E219-G249 WeakPolarHBondContact OE1-CA 3.42Å; E219-G249 PolarHBondContact OE1-N 3.2Å; E219-G249 PolarHBondContact OE2-N 2.83Å
220E87.6Confident87.1Confident63 Ų6350.4 Ų50.429%0.29424%0.24SC..Hα-helixtrans-57.4-36.5-174.5-65.285.8175.200112.3I188 Q218 T222 V223 H224I188-E220 HydrophobicContact CD1-CB 3.91Å; I188-E220 WeakPolarHBondContact CD1-OE2 3.29Å; Q218-E220 WeakPolarHBondContact CB-OE1 3.16Å; Q218-E220 WeakPolarHBondContact CB-OE2 3.45Å; Q218-E220 PolarHBondContact OE1-OE1 3.19Å; Q218-E220 VanDerWaalsContact OE1-OE1 3.04Å; E220-T222 PolarHBondContact O-N 2.73Å; E220-V223 WeakPolarHBondContact O-CB 3.12Å; E220-V223 PolarHBondContact O-N 3.42Å; E220-H224 PolarHBondContact O-CD2 2.87Å; E220-H224 PolarHBondContact O-N 3.24Å
221S90.7Very high87.4Confident10 Ų1054.4 Ų54.47%0.0726%0.26CS..Hα-helixtrans-52.8-41175.351.90000111.9E219 V223 H224 F225E219-S221 PolarHBondContact O-N 2.78Å; S221-V223 VanDerWaalsContact C-N 3.34Å; S221-V223 PolarHBondContact O-N 3.15Å; S221-H224 PolarHBondContact O-N 3.3Å; S221-F225 WeakPolarHBondContact O-CD2 3.5Å; S221-F225 PolarHBondContact O-N 3Å
222T93.2Very high87.9Confident5 Ų549.3 Ų49.33%0.03124%0.241CC..Hα-helixtrans-67.1-34.218070.60000112.5E219 E220 F225 A226 M245 G249E219-T222 HydrophobicContact CB-CG2 4.1Å; E219-T222 WeakPolarHBondContact O-CB 3.45Å; E219-T222 PolarHBondContact O-N 3.27Å; E219-T222 PolarHBondContact O-OG1 3.49Å; E220-T222 PolarHBondContact O-N 2.73Å; T222-F225 PolarHBondContact O-N 3.3Å; T222-A226 VanDerWaalsContact O-CB 3.29Å; T222-A226 WeakPolarHBondContact O-CB 3.34Å; T222-A226 PolarHBondContact O-N 2.87Å; T222-M245 HydrophobicContact CG2-CE 4.03Å; T222-M245 HydrophobicContact CG2-CG 4.21Å; T222-G249 WeakPolarHBondContact OG1-CA 3.45Å
223V95.4Very high88.6Confident48 Ų4853.1 Ų53.129%0.29126%0.258SS..Hα-helixtrans-65.2-45.4173.2-178.80000109.8E220 S221 F225 A226 D227 F248 R252E220-V223 WeakPolarHBondContact O-CB 3.12Å; E220-V223 PolarHBondContact O-N 3.42Å; S221-V223 VanDerWaalsContact C-N 3.34Å; S221-V223 PolarHBondContact O-N 3.15Å; V223-F225 PolarHBondContact O-N 2.88Å; V223-A226 PolarHBondContact O-N 3.18Å; V223-D227 PolarHBondContact O-N 3.5Å; V223-F248 HydrophobicContact CG2-CE1 4Å; V223-F248 HydrophobicContact CG2-CZ 4.28Å; V223-R252 HydrophobicContact CG2-CG 4.26Å
224H97Very high89.5Confident55 Ų5551.6 Ų51.626%0.25525%0.251SS..Hα-helixtrans-64.8-39.2178.2-72.7-77000112.8I192 A195 E220 S221 M228I192-H224 HydrophobicContact CG1-CB 4.5Å; I192-H224 VanDerWaalsContact CG1-CD2 3.47Å; I192-H224 WeakPolarHBondContact CG1-CD2 3.48Å; A195-H224 HydrophobicContact CB-CB 3.78Å; E220-H224 PolarHBondContact O-CD2 2.87Å; E220-H224 PolarHBondContact O-N 3.24Å; S221-H224 PolarHBondContact O-N 3.3Å; H224-M228 VanDerWaalsContact O-CB 3.29Å; H224-M228 WeakPolarHBondContact O-CB 3.43Å; H224-M228 PolarHBondContact O-N 2.98Å
225F97.7Very high90.7Very high1 Ų149.7 Ų49.70%0.00424%0.241CC..Hα-helixtrans-66.9-41.5173.5-79.6-67.4000112.1C191 A195 L209 S221 T222 V223 D227 M228 L229 L238 L240 L253C191-F225 HydrophobicContact CB-CE2 4.06Å; C191-F225 HydrophobicContact CB-CZ 4.48Å; A195-F225 HydrophobicContact CB-CD1 4.07Å; A195-F225 HydrophobicContact CB-CE1 4.07Å; A195-F225 HydrophobicContact CB-CG 4.34Å; A195-F225 HydrophobicContact CB-CZ 4.33Å; L209-F225 HydrophobicContact CD1-CE1 4.21Å; L209-F225 HydrophobicContact CD1-CE2 4.47Å; L209-F225 HydrophobicContact CD1-CZ 3.52Å; S221-F225 WeakPolarHBondContact O-CD2 3.5Å; S221-F225 PolarHBondContact O-N 3Å; T222-F225 PolarHBondContact O-N 3.3Å; V223-F225 PolarHBondContact O-N 2.88Å; F225-D227 PolarHBondContact O-N 3.21Å; F225-M228 HydrophobicContact CD1-CE 3.8Å; F225-M228 HydrophobicContact CE1-CE 4.42Å; F225-M228 WeakPolarHBondContact O-CB 3.43Å; F225-M228 PolarHBondContact O-N 3.44Å; F225-L229 WeakPolarHBondContact O-CB 3.12Å; F225-L229 VanDerWaalsContact O-CG 3.29Å; F225-L229 WeakPolarHBondContact O-CG 3.48Å; F225-L229 PolarHBondContact O-N 3.03Å; F225-L238 HydrophobicContact CD1-CD1 4.14Å; F225-L238 HydrophobicContact CD1-CD2 4.41Å; F225-L238 HydrophobicContact CE1-CD1 4.13Å; F225-L240 HydrophobicContact CD2-CD1 4.01Å; F225-L240 HydrophobicContact CD2-CD2 4.11Å; F225-L240 HydrophobicContact CE2-CD1 4.49Å; F225-L240 HydrophobicContact CE2-CD2 3.76Å; F225-L240 HydrophobicContact CG-CD1 4.18Å; F225-L240 HydrophobicContact CZ-CD2 4.08Å; F225-L253 HydrophobicContact CB-CD2 4.16Å
226A97.9Very high92Very high7 Ų741.5 Ų41.56%0.05821%0.212CC..Hα-helixtrans-59.2-47.1174.500000111.7T222 V223 M228 L229 C230 R252 A256T222-A226 VanDerWaalsContact O-CB 3.29Å; T222-A226 WeakPolarHBondContact O-CB 3.34Å; T222-A226 PolarHBondContact O-N 2.87Å; V223-A226 PolarHBondContact O-N 3.18Å; A226-M228 VanDerWaalsContact C-N 3.3Å; A226-M228 PolarHBondContact O-N 2.86Å; A226-L229 PolarHBondContact O-N 2.61Å; A226-C230 PolarHBondContact O-N 2.97Å; A226-C230 PolarHBondContact O-SG 2.9Å; A226-R252 HydrophobicContact CB-CB 3.94Å; A226-R252 WeakPolarHBondContact CB-O 3.49Å; A226-A256 HydrophobicContact CB-CB 3.85Å; A226-A256 VanDerWaalsContact O-CB 3.22Å; A226-A256 WeakPolarHBondContact O-CB 3.27Å
227D98.1Very high93.1Very high74 Ų7440.9 Ų40.940%0.39621%0.206SC..Hα-helixtrans-61.3-38.9175.1-77-8000112.3V223 F225 C230V223-D227 PolarHBondContact O-N 3.5Å; F225-D227 PolarHBondContact O-N 3.21Å; D227-C230 PolarHBondContact O-N 2.9Å
228M98.4Very high94.4Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-65.5-47.4177-179.6-77.7-65.400110.9A195 L198 K199 H224 F225 A226 C230 I231 N232 L235A195-M228 HydrophobicContact CB-CB 4.35Å; A195-M228 WeakPolarHBondContact O-CB 3.4Å; A195-M228 WeakPolarHBondContact O-CG 3.43Å; L198-M228 HydrophobicContact CB-CE 4.44Å; L198-M228 HydrophobicContact CB-CG 3.7Å; L198-M228 HydrophobicContact CB-SD 3.83Å; L198-M228 HydrophobicContact CD1-CE 4.27Å; K199-M228 HydrophobicContact CG-CB 4.13Å; K199-M228 HydrophobicContact CG-CG 4.11Å; H224-M228 VanDerWaalsContact O-CB 3.29Å; H224-M228 WeakPolarHBondContact O-CB 3.43Å; H224-M228 PolarHBondContact O-N 2.98Å; F225-M228 HydrophobicContact CD1-CE 3.8Å; F225-M228 HydrophobicContact CE1-CE 4.42Å; F225-M228 WeakPolarHBondContact O-CB 3.43Å; F225-M228 PolarHBondContact O-N 3.44Å; A226-M228 VanDerWaalsContact C-N 3.3Å; A226-M228 PolarHBondContact O-N 2.86Å; M228-C230 PolarHBondContact O-N 3.22Å; M228-I231 PolarHBondContact O-N 3.03Å; M228-N232 HydrophobicContact CG-CB 4.41Å; M228-N232 WeakPolarHBondContact O-CB 3.49Å; M228-N232 PolarHBondContact O-N 2.64Å; M228-N232 HydrophobicContact SD-CB 3.46Å; M228-N232 WeakPolarHBondContact SD-CB 3.29Å; M228-L235 HydrophobicContact CE-CD2 3.67Å; M228-L235 HydrophobicContact SD-CD2 4.36Å
229L98.2Very high95.5Very high0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-60.9-30.6177.6-72171.9000112.2F225 A226 I231 L235 L238 L253 A256 L257 N260 L263F225-L229 WeakPolarHBondContact O-CB 3.12Å; F225-L229 VanDerWaalsContact O-CG 3.29Å; F225-L229 WeakPolarHBondContact O-CG 3.48Å; F225-L229 PolarHBondContact O-N 3.03Å; A226-L229 PolarHBondContact O-N 2.61Å; L229-I231 PolarHBondContact O-N 2.97Å; L229-L235 HydrophobicContact CD2-CD2 4.38Å; L229-L238 HydrophobicContact CD1-CD2 4.06Å; L229-L238 HydrophobicContact CD2-CD2 4.38Å; L229-L253 HydrophobicContact CD1-CD2 3.95Å; L229-A256 HydrophobicContact CB-CB 4.05Å; L229-L257 HydrophobicContact CD1-CD2 4.41Å; L229-N260 PolarHBondContact O-ND2 2.96Å; L229-L263 HydrophobicContact CD1-CD2 4.48Å; L229-L263 HydrophobicContact CD2-CB 4.44Å; L229-L263 HydrophobicContact CD2-CD1 4.1Å; L229-L263 HydrophobicContact CD2-CD2 4.19Å; L229-L263 HydrophobicContact CD2-CG 4.48Å
230C97.4Very high96Very high24 Ų2428.2 Ų28.216%0.16214%0.144CC..THydrogen-bonded Turntrans-65.9-19.2173.9-710000114.1A226 D227 M228 R259A226-C230 PolarHBondContact O-N 2.97Å; A226-C230 PolarHBondContact O-SG 2.9Å; D227-C230 PolarHBondContact O-N 2.9Å; M228-C230 PolarHBondContact O-N 3.22Å; C230-R259 PolarHBondContact SG-NH1 3.45Å
231I98.1Very high96.2Very high84 Ų8425.3 Ų25.343%0.43113%0.131SC..THydrogen-bonded Turntrans-115.4-43.8-171.9-62.1170.4000111.7K199 M228 L229K199-I231 HydrophobicContact CB-CG2 4.38Å; K199-I231 HydrophobicContact CD-CD1 3.99Å; K199-I231 HydrophobicContact CG-CD1 4.17Å; M228-I231 PolarHBondContact O-N 3.03Å; L229-I231 PolarHBondContact O-N 2.97Å
232N98.1Very high96.2Very high0 Ų028.3 Ų28.30%014%0.142CC..  trans-67.9136.3-178.3-178.4-64.3000110L198 N201 M228 T234 L235 N260L198-N232 PolarHBondContact O-ND2 3.19Å; N201-N232 PolarHBondContact O-ND2 3Å; M228-N232 HydrophobicContact CG-CB 4.41Å; M228-N232 WeakPolarHBondContact O-CB 3.49Å; M228-N232 PolarHBondContact O-N 2.64Å; M228-N232 HydrophobicContact SD-CB 3.46Å; M228-N232 WeakPolarHBondContact SD-CB 3.29Å; N232-T234 PolarHBondContact ND2-OG1 3.36Å; N232-T234 PolarHBondContact OD1-N 2.81Å; N232-T234 PolarHBondContact OD1-OG1 2.93Å; N232-L235 WeakPolarHBondContact OD1-CB 3.47Å; N232-L235 PolarHBondContact OD1-N 3.39Å; N232-N260 PolarHBondContact O-ND2 2.97Å
233K97.1Very high96.1Very high92 Ų9228.7 Ų28.740%0.415%0.145SC..SBendtrans-125.925.1-176.8-60.3-61-177.6179.90112.6D261 T262K233-D261 VanDerWaalsContact CD-OD1 3.28Å; K233-D261 WeakPolarHBondContact CD-OD1 3.36Å; K233-D261 IonicContact NZ-OD1 2.81Å; K233-D261 PolarHBondContact NZ-OD1 3.39Å; K233-D261 IonicContact NZ-OD2 3Å; K233-T262 HydrophobicContact CB-CG2 4.35Å; K233-T262 HydrophobicContact CD-CG2 4.44Å
234T97.5Very high95.8Very high27 Ų2728.4 Ų28.417%0.16614%0.142CC..SBendtrans-133.9-30.1-177.465.70000112.9R202 M204 I205 N232 K236R202-T234 HydrophobicContact CB-CG2 4.06Å; R202-T234 WeakPolarHBondContact O-CG2 3.48Å; M204-T234 CarbonylContact O-C 3.52Å; M204-T234 PolarHBondContact O-OG1 3.5Å; I205-T234 WeakPolarHBondContact CD1-O 3.49Å; N232-T234 PolarHBondContact ND2-OG1 3.36Å; N232-T234 PolarHBondContact OD1-N 2.81Å; N232-T234 PolarHBondContact OD1-OG1 2.93Å; T234-K236 PolarHBondContact O-N 3Å
235L97.7Very high95.7Very high0 Ų025.8 Ų25.80%013%0.13CC..  trans-70.3120.8-178.4-166.577.1000110.1I207 M228 L229 N232 L238 T262 L263I207-L235 HydrophobicContact CG2-CD1 4.07Å; I207-L235 HydrophobicContact CG2-CD2 4.29Å; M228-L235 HydrophobicContact CE-CD2 3.67Å; M228-L235 HydrophobicContact SD-CD2 4.36Å; L229-L235 HydrophobicContact CD2-CD2 4.38Å; N232-L235 WeakPolarHBondContact OD1-CB 3.47Å; N232-L235 PolarHBondContact OD1-N 3.39Å; L235-L238 HydrophobicContact CD2-CB 4.37Å; L235-L238 HydrophobicContact CD2-CD1 4.49Å; L235-T262 CarbonylContact O-C 3.48Å; L235-L263 HydrophobicContact CD2-CD1 4.33Å; L235-L263 HydrophobicContact CG-CD1 4.35Å
236K96.5Very high95.5Very high67 Ų6728.9 Ų28.929%0.29114%0.142SC..  trans-104.8-30.4177.6-62.2-173.5167.7-134.80112.9I205 T234 L263 E264 L265 L423I205-K236 HydrophobicContact CG2-CB 3.92Å; I205-K236 HydrophobicContact CG2-CD 3.89Å; I205-K236 HydrophobicContact CG2-CG 4Å; I205-K236 WeakPolarHBondContact O-CA 3.33Å; I205-K236 PolarHBondContact O-N 2.87Å; T234-K236 PolarHBondContact O-N 3Å; K236-L263 WeakPolarHBondContact O-CD1 3.27Å; K236-E264 HydrophobicContact CB-CB 4.45Å; K236-E264 WeakPolarHBondContact CE-OE1 3.38Å; K236-E264 IonicContact NZ-OE1 2.95Å; K236-E264 PolarHBondContact NZ-OE1 3.44Å; K236-E264 IonicContact NZ-OE2 2.61Å; K236-E264 PolarHBondContact NZ-OE2 3.34Å; K236-E264 PolarHBondContact O-N 3.26Å; K236-L265 PolarHBondContact O-N 3.48Å; K236-L423 HydrophobicContact CB-CD1 3.97Å; K236-L423 HydrophobicContact CD-CD1 4.18Å
237E95.4Very high95.5Very high30 Ų3030.5 Ų30.514%0.1415%0.149CC..EExtended strand (participates in β ladder)trans-124.1126.4-175.2-54.3-179.9-169.700112.1I205 G206 I207 L265 L423I205-E237 PolarHBondContact O-N 2.98Å; G206-E237 WeakPolarHBondContact CA-O 3.03Å; I207-E237 PolarHBondContact N-O 3.38Å; E237-L265 HydrophobicContact CB-CB 4.35Å; E237-L265 HydrophobicContact CG-CB 4.1Å; E237-L423 HydrophobicContact CG-CD1 3.97Å
238L95.9Very high95.4Very high0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-133.5116.1177.9179.760.2000110.9I207 F225 L229 L235 L240 L263 L265 L266 D267I207-L238 HydrophobicContact CG2-CD1 3.73Å; F225-L238 HydrophobicContact CD1-CD1 4.14Å; F225-L238 HydrophobicContact CD1-CD2 4.41Å; F225-L238 HydrophobicContact CE1-CD1 4.13Å; L229-L238 HydrophobicContact CD1-CD2 4.06Å; L229-L238 HydrophobicContact CD2-CD2 4.38Å; L235-L238 HydrophobicContact CD2-CB 4.37Å; L235-L238 HydrophobicContact CD2-CD1 4.49Å; L238-L240 HydrophobicContact CD1-CD1 4.15Å; L238-L240 HydrophobicContact CD1-CD2 4.26Å; L238-L240 HydrophobicContact CD1-CG 3.96Å; L238-L240 HydrophobicContact CD2-CD1 3.88Å; L238-L240 HydrophobicContact CD2-CG 4.47Å; L238-L240 HydrophobicContact CG-CD1 3.96Å; L238-L240 HydrophobicContact CG-CG 4Å; L238-L263 HydrophobicContact CB-CD1 3.82Å; L238-L263 HydrophobicContact CB-CD2 4.34Å; L238-L265 PolarHBondContact N-O 2.8Å; L238-L266 HydrophobicContact CB-CD1 4.45Å; L238-L266 HydrophobicContact CD2-CD1 4.24Å; L238-L266 HydrophobicContact CG-CD1 4.4Å; L238-D267 PolarHBondContact O-N 2.82Å
239H94.1Very high95.3Very high0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-110.4118.7175.4-49.6-100.6000111.4I207 N208 L209 N210 L265 D267 Y404 F406I207-H239 PolarHBondContact O-N 3.09Å; N208-H239 HydrophobicContact CB-CB 4.05Å; L209-H239 PolarHBondContact N-O 3.49Å; N210-H239 WeakPolarHBondContact OD1-CB 3.46Å; N210-H239 PolarHBondContact OD1-O 3.39Å; H239-L265 WeakPolarHBondContact CE1-CD2 3.38Å; H239-L265 WeakPolarHBondContact NE2-CD2 3.4Å; H239-D267 HydrophobicContact CB-CB 4.16Å; H239-D267 IonicContact CG-OD2 3.52Å; H239-D267 VanDerWaalsContact ND1-CB 3.33Å; H239-D267 WeakPolarHBondContact ND1-CB 3.17Å; H239-D267 IonicContact ND1-OD2 2.74Å; H239-D267 PolarHBondContact ND1-OD2 3.04Å; H239-Y404 PolarHBondContact CE1-O 3.37Å; H239-F406 AromaticContact CD2-CD2 3.84Å; H239-F406 AromaticContact CD2-CE2 3.68Å; H239-F406 AromaticContact CE1-CD2 3.52Å; H239-F406 AromaticContact CE1-CE2 3.41Å; H239-F406 VanDerWaalsContact CE1-CE2 3.41Å; H239-F406 WeakPolarHBondContact CE1-CE2 3.24Å; H239-F406 AromaticContact CG-CD2 3.99Å; H239-F406 AromaticContact ND1-CD2 3.78Å; H239-F406 AromaticContact NE2-CD2 3.57Å; H239-F406 AromaticContact NE2-CE2 3.11Å; H239-F406 WeakPolarHBondContact NE2-CE2 3.5Å
240L94.4Very high95.3Very high5 Ų532 Ų323%0.02615%0.152CC..  trans-13435.7-178.8-63.3174.6000110.8L209 N210 F225 L238 C243 M245 L253 D267 I268 N271L209-L240 HydrophobicContact CB-CD2 4.23Å; N210-L240 PolarHBondContact OD1-N 3.16Å; N210-L240 VanDerWaalsContact OD1-N 3.15Å; F225-L240 HydrophobicContact CD2-CD1 4.01Å; F225-L240 HydrophobicContact CD2-CD2 4.11Å; F225-L240 HydrophobicContact CE2-CD1 4.49Å; F225-L240 HydrophobicContact CE2-CD2 3.76Å; F225-L240 HydrophobicContact CG-CD1 4.18Å; F225-L240 HydrophobicContact CZ-CD2 4.08Å; L238-L240 HydrophobicContact CD1-CD1 4.15Å; L238-L240 HydrophobicContact CD1-CD2 4.26Å; L238-L240 HydrophobicContact CD1-CG 3.96Å; L238-L240 HydrophobicContact CD2-CD1 3.88Å; L238-L240 HydrophobicContact CD2-CG 4.47Å; L238-L240 HydrophobicContact CG-CD1 3.96Å; L238-L240 HydrophobicContact CG-CG 4Å; L240-C243 WeakPolarHBondContact O-CB 3.37Å; L240-C243 PolarHBondContact O-SG 2.98Å; L240-M245 HydrophobicContact CB-CE 4.19Å; L240-M245 HydrophobicContact CD1-CE 4.25Å; L240-L253 HydrophobicContact CD1-CD1 4.39Å; L240-D267 CarbonylContact C-O 3.4Å; L240-D267 PolarHBondContact N-O 3.16Å; L240-I268 HydrophobicContact CB-CG2 4.33Å; L240-N271 PolarHBondContact O-ND2 3.41Å
241A91.6Very high95.3Very high3 Ų331.5 Ų31.53%0.02515%0.15CC..THydrogen-bonded Turntrans-68.9148.4175.300000111.8N210 R211 C243 S269N210-A241 CarbonylContact C-O 3.45Å; N210-A241 VanDerWaalsContact CA-O 3.24Å; N210-A241 WeakPolarHBondContact CA-O 3.49Å; N210-A241 HydrophobicContact CB-CB 4.26Å; N210-A241 WeakPolarHBondContact OD1-CB 3.19Å; N210-A241 PolarHBondContact OD1-N 3.48Å; R211-A241 PolarHBondContact N-O 3.02Å; A241-C243 VanDerWaalsContact C-N 3.3Å; A241-C243 PolarHBondContact O-N 2.79Å; A241-C243 PolarHBondContact O-SG 2.82Å; A241-S269 CarbonylContact C-O 3.21Å; A241-S269 WeakPolarHBondContact CA-O 3.43Å; A241-S269 WeakPolarHBondContact CB-O 3.23Å; A241-S269 VanDerWaalsContact CB-OG 3.3Å; A241-S269 WeakPolarHBondContact CB-OG 3.14Å
242K89.7Confident95.2Very high72 Ų7230.6 Ų30.631%0.31314%0.141SC..THydrogen-bonded Turntrans55.540.6-179.9-52.2175.5-171.6168.20113.3E183 R211 S269 A270E183-K242 IonicContact OE1-NZ 2.71Å; E183-K242 PolarHBondContact OE1-NZ 2.9Å; R211-K242 WeakPolarHBondContact CA-O 3.48Å; R211-K242 HydrophobicContact CB-CB 4.05Å; R211-K242 HydrophobicContact CB-CD 4.06Å; R211-K242 HydrophobicContact CG-CB 4.32Å; R211-K242 HydrophobicContact CG-CD 4.09Å; K242-S269 PolarHBondContact N-O 2.96Å; K242-A270 VanDerWaalsContact CA-O 3.27Å; K242-A270 WeakPolarHBondContact CA-O 3.38Å; K242-A270 HydrophobicContact CG-CB 3.55Å; K242-A270 PolarHBondContact N-O 3.1Å
243C91.1Very high95.2Very high14 Ų1430.6 Ų30.610%0.09514%0.141CC..SBendtrans-111.225.7-179.3-68.80000112.6L214 L240 A241 M245 N271L214-C243 HydrophobicContact CD1-CB 4.35Å; L214-C243 WeakPolarHBondContact CD1-O 3.31Å; L240-C243 WeakPolarHBondContact O-CB 3.37Å; L240-C243 PolarHBondContact O-SG 2.98Å; A241-C243 VanDerWaalsContact C-N 3.3Å; A241-C243 PolarHBondContact O-N 2.79Å; A241-C243 PolarHBondContact O-SG 2.82Å; C243-M245 PolarHBondContact O-N 2.9Å; C243-N271 WeakPolarHBondContact CA-OD1 3.43Å; C243-N271 PolarHBondContact N-OD1 3.16Å
244D90.2Very high95.2Very high41 Ų4126.4 Ų26.422%0.21912%0.124CC..  trans48.821.8-176.3-151.655.9000115.5R246 N271 R272D244-R246 IonicContact OD2-CZ 3.39Å; D244-R246 IonicContact OD2-NE 3.52Å; D244-R246 IonicContact OD2-NH2 3.25Å; D244-R246 PolarHBondContact OD2-NH2 3.5Å; D244-N271 PolarHBondContact N-OD1 3.48Å; D244-R272 IonicContact OD1-CZ 2.79Å; D244-R272 IonicContact OD1-NE 3.21Å; D244-R272 PolarHBondContact OD1-NE 2.78Å; D244-R272 IonicContact OD1-NH2 3.85Å; D244-R272 PolarHBondContact OD1-NH2 2.95Å; D244-R272 IonicContact OD2-NE 2.81Å; D244-R272 IonicContact OD2-NH2 2.84Å
245M93.8Very high95.1Very high1 Ų130.3 Ų30.31%0.00514%0.14CC..  trans-64.3140.5-176.8-177.3-170.6-59.300110.9E219 T222 L240 C243 L253 I268 N271 R272 V273E219-M245 WeakPolarHBondContact OE1-CA 3.28Å; T222-M245 HydrophobicContact CG2-CE 4.03Å; T222-M245 HydrophobicContact CG2-CG 4.21Å; L240-M245 HydrophobicContact CB-CE 4.19Å; L240-M245 HydrophobicContact CD1-CE 4.25Å; C243-M245 PolarHBondContact O-N 2.9Å; M245-L253 HydrophobicContact CE-CD1 3.48Å; M245-L253 VanDerWaalsContact CE-CD1 3.48Å; M245-L253 HydrophobicContact SD-CD1 3.85Å; M245-I268 HydrophobicContact CE-CB 4.29Å; M245-I268 HydrophobicContact CE-CG2 3.64Å; M245-I268 HydrophobicContact SD-CB 4.11Å; M245-I268 HydrophobicContact SD-CD1 4.28Å; M245-I268 HydrophobicContact SD-CG2 3.9Å; M245-N271 HydrophobicContact CB-CB 3.91Å; M245-N271 WeakPolarHBondContact CB-OD1 3.23Å; M245-N271 PolarHBondContact N-OD1 2.83Å; M245-N271 WeakPolarHBondContact O-CB 3.27Å; M245-R272 CarbonylContact O-C 3.47Å; M245-R272 VanDerWaalsContact O-C 3.31Å; M245-R272 VanDerWaalsContact O-CA 3.28Å; M245-R272 WeakPolarHBondContact O-CA 3.47Å; M245-R272 PolarHBondContact O-N 2.97Å; M245-V273 HydrophobicContact CG-CG2 4.41Å; M245-V273 PolarHBondContact O-N 2.78Å; M245-V273 HydrophobicContact SD-CG2 4.36Å
246R95.3Very high95.1Very high65 Ų6530.4 Ų30.425%0.24514%0.141CC..  trans-120.6-167.7178-62.9173.8-167.9147.413.2109.9L217 E219 D244 F248 G249 A250 R272L217-R246 PolarHBondContact O-NH1 2.75Å; E219-R246 PolarHBondContact OE1-N 3.25Å; D244-R246 IonicContact OD2-CZ 3.39Å; D244-R246 IonicContact OD2-NE 3.52Å; D244-R246 IonicContact OD2-NH2 3.25Å; D244-R246 PolarHBondContact OD2-NH2 3.5Å; R246-F248 PolarHBondContact O-N 3.3Å; R246-G249 PolarHBondContact O-N 3.48Å; R246-A250 WeakPolarHBondContact O-CB 3.48Å; R246-A250 PolarHBondContact O-N 2.94Å; R246-R272 HydrophobicContact CG-CB 3.97Å
247D97.4Very high95.2Very high42 Ų4227.3 Ų27.323%0.22513%0.128CC..Hα-helixtrans-60.4-31.2179.3-60.7-35000113A251 S274 G277D247-A251 VanDerWaalsContact O-CB 3.25Å; D247-A251 WeakPolarHBondContact O-CB 3.15Å; D247-A251 PolarHBondContact O-N 2.92Å; D247-S274 VanDerWaalsContact CG-OG 3.23Å; D247-S274 WeakPolarHBondContact OD1-CA 3.41Å; D247-S274 PolarHBondContact OD1-N 2.83Å; D247-S274 PolarHBondContact OD1-OG 3.26Å; D247-S274 WeakPolarHBondContact OD2-CB 2.98Å; D247-S274 PolarHBondContact OD2-OG 2.92Å; D247-G277 VanDerWaalsContact CG-N 3.31Å; D247-G277 VanDerWaalsContact OD1-CA 3.28Å; D247-G277 WeakPolarHBondContact OD1-CA 3.34Å; D247-G277 PolarHBondContact OD1-N 3.05Å
248F96.1Very high95.1Very high104 Ų10430.6 Ų30.646%0.45614%0.143SC..Hα-helixtrans-68.4-47.8177.1171.7-86.9000111.5E219 V223 R246 A251 R252E219-F248 HydrophobicContact CB-CD1 4.12Å; E219-F248 WeakPolarHBondContact OE2-CB 3.37Å; V223-F248 HydrophobicContact CG2-CE1 4Å; V223-F248 HydrophobicContact CG2-CZ 4.28Å; R246-F248 PolarHBondContact O-N 3.3Å; F248-A251 WeakPolarHBondContact O-CB 3.2Å; F248-A251 PolarHBondContact O-N 3.27Å; F248-R252 HydrophobicContact CD1-CG 4.4Å; F248-R252 HydrophobicContact CE1-CG 3.96Å; F248-R252 VanDerWaalsContact CE2-NH1 3.28Å; F248-R252 HydrophobicContact CZ-CG 4.08Å; F248-R252 WeakPolarHBondContact O-CG 3.4Å; F248-R252 PolarHBondContact O-N 2.91Å
249G95.6Very high95.1Very high0 Ų038.2 Ų38.20%017%0.172CC..Hα-helixtrans-63.2-42.1174.900000112.9E219 T222 R246 A251 R252 L253E219-G249 VanDerWaalsContact OE1-CA 3.24Å; E219-G249 WeakPolarHBondContact OE1-CA 3.42Å; E219-G249 PolarHBondContact OE1-N 3.2Å; E219-G249 PolarHBondContact OE2-N 2.83Å; T222-G249 WeakPolarHBondContact OG1-CA 3.45Å; R246-G249 PolarHBondContact O-N 3.48Å; G249-A251 VanDerWaalsContact C-N 3.29Å; G249-A251 PolarHBondContact O-N 3.29Å; G249-R252 PolarHBondContact O-N 3.18Å; G249-L253 PolarHBondContact O-N 3.45Å
250A97.4Very high95.2Very high0 Ų038.4 Ų38.40%017%0.173CC..Hα-helixtrans-59.4-39.7173.300000112.1R246 L253 A254 V273 L281R246-A250 WeakPolarHBondContact O-CB 3.48Å; R246-A250 PolarHBondContact O-N 2.94Å; A250-L253 PolarHBondContact O-N 3.25Å; A250-A254 VanDerWaalsContact O-CB 3.28Å; A250-A254 WeakPolarHBondContact O-CB 3.48Å; A250-A254 PolarHBondContact O-N 3.18Å; A250-V273 HydrophobicContact CB-CG1 3.97Å; A250-V273 HydrophobicContact CB-CG2 4.03Å; A250-L281 HydrophobicContact CB-CD1 4.24Å
251A97.5Very high95.2Very high14 Ų1442.7 Ų42.712%0.11620%0.196CC..Hα-helixtrans-62.8-41.6175.400000112.7D247 F248 G249 A254 E255 L280D247-A251 VanDerWaalsContact O-CB 3.25Å; D247-A251 WeakPolarHBondContact O-CB 3.15Å; D247-A251 PolarHBondContact O-N 2.92Å; F248-A251 WeakPolarHBondContact O-CB 3.2Å; F248-A251 PolarHBondContact O-N 3.27Å; G249-A251 VanDerWaalsContact C-N 3.29Å; G249-A251 PolarHBondContact O-N 3.29Å; A251-A254 PolarHBondContact O-N 3.31Å; A251-E255 WeakPolarHBondContact O-CB 3.2Å; A251-E255 PolarHBondContact O-N 2.81Å; A251-L280 HydrophobicContact CB-CD1 3.44Å; A251-L280 VanDerWaalsContact CB-CD1 3.44Å
252R97.6Very high95.5Very high66 Ų6643.6 Ų43.625%0.24920%0.201CC..Hα-helixtrans-65.6-44.9178.3-65-6875.971-2.3111.5V223 A226 F248 G249 A254 E255 A256V223-R252 HydrophobicContact CG2-CG 4.26Å; A226-R252 HydrophobicContact CB-CB 3.94Å; A226-R252 WeakPolarHBondContact CB-O 3.49Å; F248-R252 HydrophobicContact CD1-CG 4.4Å; F248-R252 HydrophobicContact CE1-CG 3.96Å; F248-R252 VanDerWaalsContact CE2-NH1 3.28Å; F248-R252 HydrophobicContact CZ-CG 4.08Å; F248-R252 WeakPolarHBondContact O-CG 3.4Å; F248-R252 PolarHBondContact O-N 2.91Å; G249-R252 PolarHBondContact O-N 3.18Å; R252-A254 VanDerWaalsContact C-N 3.33Å; R252-E255 IonicContact CZ-OE2 3.33Å; R252-E255 IonicContact NE-OE2 3.9Å; R252-E255 PolarHBondContact NE-OE2 3.33Å; R252-E255 IonicContact NH2-OE2 3.39Å; R252-E255 PolarHBondContact NH2-OE2 2.93Å; R252-E255 PolarHBondContact O-N 2.79Å; R252-A256 PolarHBondContact O-N 2.98Å; R252-A256 VanDerWaalsContact O-N 3.11Å
253L97.6Very high95.8Very high0 Ų040.2 Ų40.20%019%0.186CC..Hα-helixtrans-62.7-42.4174.7-67.9-179.4000111.2F225 L229 L240 M245 G249 A250 E255 A256 L257 L266 I268F225-L253 HydrophobicContact CB-CD2 4.16Å; L229-L253 HydrophobicContact CD1-CD2 3.95Å; L240-L253 HydrophobicContact CD1-CD1 4.39Å; M245-L253 HydrophobicContact CE-CD1 3.48Å; M245-L253 VanDerWaalsContact CE-CD1 3.48Å; M245-L253 HydrophobicContact SD-CD1 3.85Å; G249-L253 PolarHBondContact O-N 3.45Å; A250-L253 PolarHBondContact O-N 3.25Å; L253-E255 PolarHBondContact O-N 2.75Å; L253-A256 PolarHBondContact O-N 3.29Å; L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.1Å; L253-L257 PolarHBondContact O-N 2.89Å; L253-L266 HydrophobicContact CD1-CD1 4.41Å; L253-I268 HydrophobicContact CD1-CG2 4.03Å
254A97.2Very high96Very high4 Ų441.3 Ų41.33%0.03319%0.19CC..Hα-helixtrans-57.8-51.2177.700000111.8A250 A251 R252 A256 L257 E258 L280 L281 V284A250-A254 VanDerWaalsContact O-CB 3.28Å; A250-A254 WeakPolarHBondContact O-CB 3.48Å; A250-A254 PolarHBondContact O-N 3.18Å; A251-A254 PolarHBondContact O-N 3.31Å; R252-A254 VanDerWaalsContact C-N 3.33Å; A254-A256 VanDerWaalsContact C-N 3.31Å; A254-A256 PolarHBondContact O-N 3.18Å; A254-L257 PolarHBondContact O-N 3.19Å; A254-L257 VanDerWaalsContact O-N 3.08Å; A254-E258 WeakPolarHBondContact O-CG 3.43Å; A254-E258 PolarHBondContact O-N 3.03Å; A254-E258 VanDerWaalsContact O-N 3.13Å; A254-L280 HydrophobicContact CB-CB 4.42Å; A254-L281 HydrophobicContact CB-CD2 4.12Å; A254-V284 HydrophobicContact CB-CG2 3.69Å; A254-V284 VanDerWaalsContact O-CG2 3.3Å; A254-V284 WeakPolarHBondContact O-CG2 3.4Å
255E96.1Very high96.2Very high109 Ų10939.5 Ų39.551%0.50918%0.18SC..Hα-helixtrans-57.9-40.3178-177.5177.7-179.200112.7A251 R252 L253A251-E255 WeakPolarHBondContact O-CB 3.2Å; A251-E255 PolarHBondContact O-N 2.81Å; R252-E255 IonicContact CZ-OE2 3.33Å; R252-E255 IonicContact NE-OE2 3.9Å; R252-E255 PolarHBondContact NE-OE2 3.33Å; R252-E255 IonicContact NH2-OE2 3.39Å; R252-E255 PolarHBondContact NH2-OE2 2.93Å; R252-E255 PolarHBondContact O-N 2.79Å; L253-E255 PolarHBondContact O-N 2.75Å
256A97.3Very high96.3Very high2 Ų239.4 Ų39.42%0.01718%0.18CC..Hα-helixtrans-67.3-38.4175.500000112.6A226 L229 R252 L253 A254 E258 R259 N260A226-A256 HydrophobicContact CB-CB 3.85Å; A226-A256 VanDerWaalsContact O-CB 3.22Å; A226-A256 WeakPolarHBondContact O-CB 3.27Å; L229-A256 HydrophobicContact CB-CB 4.05Å; R252-A256 PolarHBondContact O-N 2.98Å; R252-A256 VanDerWaalsContact O-N 3.11Å; L253-A256 PolarHBondContact O-N 3.29Å; A254-A256 VanDerWaalsContact C-N 3.31Å; A254-A256 PolarHBondContact O-N 3.18Å; A256-E258 VanDerWaalsContact C-N 3.29Å; A256-E258 PolarHBondContact O-N 3.45Å; A256-R259 CarbonylContact O-C 3.51Å; A256-R259 PolarHBondContact O-N 3.23Å; A256-R259 VanDerWaalsContact O-N 3.07Å; A256-N260 PolarHBondContact O-N 3.33Å
257L97.2Very high96.3Very high1 Ų136.5 Ų36.51%0.00517%0.169CC..Hα-helixtrans-71.4-20.8-179.9-68.8168.6000113.6L229 L253 A254 R259 N260 L263 L266 V284 N288L229-L257 HydrophobicContact CD1-CD2 4.41Å; L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.1Å; L253-L257 PolarHBondContact O-N 2.89Å; A254-L257 PolarHBondContact O-N 3.19Å; A254-L257 VanDerWaalsContact O-N 3.08Å; L257-R259 PolarHBondContact O-N 3.44Å; L257-N260 HydrophobicContact CD2-CB 4.33Å; L257-L263 HydrophobicContact CD2-CB 3.93Å; L257-L263 HydrophobicContact CD2-CD2 3.57Å; L257-L263 HydrophobicContact CD2-CG 4.36Å; L257-L266 HydrophobicContact CD1-CD2 3.92Å; L257-V284 HydrophobicContact CB-CG1 3.62Å; L257-V284 HydrophobicContact CB-CG2 4.15Å; L257-V284 HydrophobicContact CD1-CG1 4.35Å; L257-N288 PolarHBondContact O-ND2 3.21Å
258E94.9Very high96.2Very high100 Ų10034.5 Ų34.547%0.46716%0.159SC..THydrogen-bonded Turntrans-63.7-21.1169.2-50.8-166.4163.500112.1A254 A256 V284 I287A254-E258 WeakPolarHBondContact O-CG 3.43Å; A254-E258 PolarHBondContact O-N 3.03Å; A254-E258 VanDerWaalsContact O-N 3.13Å; A256-E258 VanDerWaalsContact C-N 3.29Å; A256-E258 PolarHBondContact O-N 3.45Å; E258-V284 HydrophobicContact CG-CG2 4.47Å; E258-I287 HydrophobicContact CB-CD1 3.99Å; E258-I287 HydrophobicContact CG-CD1 3.79Å
259R94.3Very high96.1Very high159 Ų15929.8 Ų29.860%0.614%0.138SC*.THydrogen-bonded Turntrans-114.5-11-178.1-63.8-179.854.3-126.6-12.5114.2C230 A256 L257C230-R259 PolarHBondContact SG-NH1 3.45Å; A256-R259 CarbonylContact O-C 3.51Å; A256-R259 PolarHBondContact O-N 3.23Å; A256-R259 VanDerWaalsContact O-N 3.07Å; L257-R259 PolarHBondContact O-N 3.44Å
260N96.5Very high95.9Very high4 Ų431.4 Ų31.42%0.02115%0.152CC..  trans-89.8132.4176.6-176.5-74.6000109.5L229 N232 A256 L257 T262 L263 N288L229-N260 PolarHBondContact O-ND2 2.96Å; N232-N260 PolarHBondContact O-ND2 2.97Å; A256-N260 PolarHBondContact O-N 3.33Å; L257-N260 HydrophobicContact CD2-CB 4.33Å; N260-T262 PolarHBondContact ND2-OG1 2.9Å; N260-T262 PolarHBondContact OD1-N 3.07Å; N260-T262 PolarHBondContact OD1-OG1 3.26Å; N260-L263 WeakPolarHBondContact OD1-CB 3.39Å; N260-L263 PolarHBondContact OD1-N 3.35Å; N260-N288 PolarHBondContact O-ND2 3.34Å
261D95.8Very high95.8Very high95 Ų9532 Ų3251%0.50816%0.155SC..SBendtrans-12125-174.354.1-6.7000111.3K233 T290K233-D261 VanDerWaalsContact CD-OD1 3.28Å; K233-D261 WeakPolarHBondContact CD-OD1 3.36Å; K233-D261 IonicContact NZ-OD1 2.81Å; K233-D261 PolarHBondContact NZ-OD1 3.39Å; K233-D261 IonicContact NZ-OD2 3Å; D261-T290 HydrophobicContact CB-CG2 4.5Å
262T96.6Very high95.7Very high23 Ų2338 Ų3814%0.14117%0.174CC..SBendtrans-139.8-28-173.651.50000114.6K233 L235 N260 E264K233-T262 HydrophobicContact CB-CG2 4.35Å; K233-T262 HydrophobicContact CD-CG2 4.44Å; L235-T262 CarbonylContact O-C 3.48Å; N260-T262 PolarHBondContact ND2-OG1 2.9Å; N260-T262 PolarHBondContact OD1-N 3.07Å; N260-T262 PolarHBondContact OD1-OG1 3.26Å; T262-E264 PolarHBondContact O-N 2.86Å
263L97.2Very high95.7Very high0 Ų034.8 Ų34.80%016%0.163CC..  trans-72.4122.2178.2-162.278.4000109.3L229 L235 K236 L238 L257 N260 L266 T290L229-L263 HydrophobicContact CD1-CD2 4.48Å; L229-L263 HydrophobicContact CD2-CB 4.44Å; L229-L263 HydrophobicContact CD2-CD1 4.1Å; L229-L263 HydrophobicContact CD2-CD2 4.19Å; L229-L263 HydrophobicContact CD2-CG 4.48Å; L235-L263 HydrophobicContact CD2-CD1 4.33Å; L235-L263 HydrophobicContact CG-CD1 4.35Å; K236-L263 WeakPolarHBondContact O-CD1 3.27Å; L238-L263 HydrophobicContact CB-CD1 3.82Å; L238-L263 HydrophobicContact CB-CD2 4.34Å; L257-L263 HydrophobicContact CD2-CB 3.93Å; L257-L263 HydrophobicContact CD2-CD2 3.57Å; L257-L263 HydrophobicContact CD2-CG 4.36Å; N260-L263 WeakPolarHBondContact OD1-CB 3.39Å; N260-L263 PolarHBondContact OD1-N 3.35Å; L263-L266 HydrophobicContact CD2-CB 4.16Å; L263-L266 HydrophobicContact CD2-CD1 4.26Å; L263-T290 CarbonylContact O-C 3.43Å; L263-T290 WeakPolarHBondContact O-CB 3.26Å; L263-T290 PolarHBondContact O-OG1 2.88Å
264E95.4Very high95.7Very high37 Ų3736 Ų3617%0.17317%0.171CC..  trans-110.4-24.9-176.8-67.8167.9-161.300111.3K236 T262 T290 V292 V293 L423K236-E264 HydrophobicContact CB-CB 4.45Å; K236-E264 WeakPolarHBondContact CE-OE1 3.38Å; K236-E264 IonicContact NZ-OE1 2.95Å; K236-E264 PolarHBondContact NZ-OE1 3.44Å; K236-E264 IonicContact NZ-OE2 2.61Å; K236-E264 PolarHBondContact NZ-OE2 3.34Å; K236-E264 PolarHBondContact O-N 3.26Å; T262-E264 PolarHBondContact O-N 2.86Å; E264-T290 WeakPolarHBondContact CA-O 3.47Å; E264-V292 HydrophobicContact CB-CG2 4.21Å; E264-V292 HydrophobicContact CG-CG2 4.48Å; E264-V292 WeakPolarHBondContact O-CA 3.21Å; E264-V292 PolarHBondContact O-N 2.83Å; E264-V293 PolarHBondContact O-N 3.43Å; E264-L423 HydrophobicContact CB-CD1 4.13Å; E264-L423 HydrophobicContact CB-CD2 3.53Å; E264-L423 HydrophobicContact CB-CG 4.42Å; E264-L423 HydrophobicContact CG-CD2 4.36Å; E264-L423 VanDerWaalsContact OE2-CB 3.28Å; E264-L423 WeakPolarHBondContact OE2-CB 3.32Å; E264-L423 VanDerWaalsContact OE2-CD1 3.25Å; E264-L423 WeakPolarHBondContact OE2-CD1 3.36Å; E264-L423 WeakPolarHBondContact OE2-CD2 3.02Å; E264-L423 WeakPolarHBondContact OE2-CG 3.5Å
265L94.5Very high95.8Very high3 Ų340.3 Ų40.32%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-130.4125.8176.7-176.3160.7000111.1K236 E237 L238 H239 D267 V293 Y404K236-L265 PolarHBondContact O-N 3.48Å; E237-L265 HydrophobicContact CB-CB 4.35Å; E237-L265 HydrophobicContact CG-CB 4.1Å; L238-L265 PolarHBondContact N-O 2.8Å; H239-L265 WeakPolarHBondContact CE1-CD2 3.38Å; H239-L265 WeakPolarHBondContact NE2-CD2 3.4Å; L265-D267 HydrophobicContact CD2-CB 4.14Å; L265-V293 WeakPolarHBondContact CA-O 3.31Å; L265-V293 HydrophobicContact CB-CB 4.13Å; L265-V293 HydrophobicContact CD1-CB 4.17Å; L265-V293 HydrophobicContact CD1-CG1 4.15Å; L265-V293 HydrophobicContact CD1-CG2 4.4Å; L265-V293 HydrophobicContact CG-CB 3.83Å; L265-V293 HydrophobicContact CG-CG1 3.96Å; L265-Y404 HydrophobicContact CD1-CD1 3.84Å; L265-Y404 HydrophobicContact CD1-CG 4.3Å
266L95.7Very high95.9Very high0 Ų039 Ų390%018%0.183CC..EExtended strand (participates in β ladder)trans-121.3115.1167.9-17968000110.5L238 L253 L257 L263 I268 L281 L291 V293 L294 D295L238-L266 HydrophobicContact CB-CD1 4.45Å; L238-L266 HydrophobicContact CD2-CD1 4.24Å; L238-L266 HydrophobicContact CG-CD1 4.4Å; L253-L266 HydrophobicContact CD1-CD1 4.41Å; L257-L266 HydrophobicContact CD1-CD2 3.92Å; L263-L266 HydrophobicContact CD2-CB 4.16Å; L263-L266 HydrophobicContact CD2-CD1 4.26Å; L266-I268 HydrophobicContact CD1-CG2 3.79Å; L266-I268 HydrophobicContact CD2-CD1 4.26Å; L266-I268 HydrophobicContact CD2-CG1 4.49Å; L266-I268 HydrophobicContact CD2-CG2 4.23Å; L266-I268 HydrophobicContact CG-CG2 3.91Å; L266-L281 HydrophobicContact CD2-CD2 4.47Å; L266-L291 HydrophobicContact CB-CD1 3.91Å; L266-V293 PolarHBondContact N-O 2.77Å; L266-L294 HydrophobicContact CB-CD1 4.24Å; L266-L294 HydrophobicContact CD2-CD1 4.02Å; L266-L294 HydrophobicContact CG-CD1 4.35Å; L266-D295 PolarHBondContact O-N 2.83Å
267D93.9Very high95.9Very high4 Ų439 Ų392%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-106.4109.1169.6172.916.5000110L238 H239 L240 L265 S269 D295L238-D267 PolarHBondContact O-N 2.82Å; H239-D267 HydrophobicContact CB-CB 4.16Å; H239-D267 IonicContact CG-OD2 3.52Å; H239-D267 VanDerWaalsContact ND1-CB 3.33Å; H239-D267 WeakPolarHBondContact ND1-CB 3.17Å; H239-D267 IonicContact ND1-OD2 2.74Å; H239-D267 PolarHBondContact ND1-OD2 3.04Å; L240-D267 CarbonylContact C-O 3.4Å; L240-D267 PolarHBondContact N-O 3.16Å; L265-D267 HydrophobicContact CD2-CB 4.14Å; D267-S269 WeakPolarHBondContact OD1-CB 3.47Å; D267-S269 PolarHBondContact OD1-N 2.85Å; D267-S269 PolarHBondContact OD1-OG 2.83Å; D267-D295 HydrophobicContact CB-CB 4.22Å
268I95.6Very high96Very high0 Ų038.9 Ų38.90%018%0.182CC..  trans-124.132.4173.456.6171.2000110L240 M245 L253 L266 N271 V273 L281 D295 L296 N299L240-I268 HydrophobicContact CB-CG2 4.33Å; M245-I268 HydrophobicContact CE-CB 4.29Å; M245-I268 HydrophobicContact CE-CG2 3.64Å; M245-I268 HydrophobicContact SD-CB 4.11Å; M245-I268 HydrophobicContact SD-CD1 4.28Å; M245-I268 HydrophobicContact SD-CG2 3.9Å; L253-I268 HydrophobicContact CD1-CG2 4.03Å; L266-I268 HydrophobicContact CD1-CG2 3.79Å; L266-I268 HydrophobicContact CD2-CD1 4.26Å; L266-I268 HydrophobicContact CD2-CG1 4.49Å; L266-I268 HydrophobicContact CD2-CG2 4.23Å; L266-I268 HydrophobicContact CG-CG2 3.91Å; I268-N271 PolarHBondContact O-ND2 2.82Å; I268-V273 HydrophobicContact CD1-CG2 4.4Å; I268-L281 HydrophobicContact CD1-CD1 3.61Å; I268-D295 CarbonylContact C-O 3.5Å; I268-D295 PolarHBondContact N-O 2.78Å; I268-L296 HydrophobicContact CD1-CD2 3.74Å; I268-L296 HydrophobicContact CG1-CD2 3.94Å; I268-N299 PolarHBondContact O-ND2 3.07Å
269S94.1Very high96.2Very high4 Ų436.7 Ų36.73%0.02817%0.173CC..  trans-66.5161.8179.266.30000113A241 K242 D267 N271 D295 A297 R405A241-S269 CarbonylContact C-O 3.21Å; A241-S269 WeakPolarHBondContact CA-O 3.43Å; A241-S269 WeakPolarHBondContact CB-O 3.23Å; A241-S269 VanDerWaalsContact CB-OG 3.3Å; A241-S269 WeakPolarHBondContact CB-OG 3.14Å; K242-S269 PolarHBondContact N-O 2.96Å; D267-S269 WeakPolarHBondContact OD1-CB 3.47Å; D267-S269 PolarHBondContact OD1-N 2.85Å; D267-S269 PolarHBondContact OD1-OG 2.83Å; S269-N271 PolarHBondContact O-N 2.79Å; S269-N271 VanDerWaalsContact O-N 3.15Å; S269-N271 PolarHBondContact O-ND2 2.97Å; S269-D295 WeakPolarHBondContact CB-OD1 3.45Å; S269-D295 PolarHBondContact N-O 3.49Å; S269-A297 CarbonylContact C-O 3.41Å; S269-A297 WeakPolarHBondContact CA-O 3.39Å; S269-A297 WeakPolarHBondContact CB-O 3.48Å; S269-R405 PolarHBondContact OG-NH2 3Å
270A92.4Very high96.3Very high34 Ų3431.4 Ų31.428%0.28116%0.157SC..SBendtrans52.838.6178.600000113.6K242 A297 F298K242-A270 VanDerWaalsContact CA-O 3.27Å; K242-A270 WeakPolarHBondContact CA-O 3.38Å; K242-A270 HydrophobicContact CG-CB 3.55Å; K242-A270 PolarHBondContact N-O 3.1Å; A270-A297 PolarHBondContact N-O 3.18Å; A270-F298 WeakPolarHBondContact CA-O 3.47Å; A270-F298 HydrophobicContact CB-CB 3.96Å
271N93.9Very high96.4Very high12 Ų1231.4 Ų31.46%0.06416%0.156CC..SBendtrans-108.3-164.9172.5-79.4-58.5000109.4L240 C243 D244 M245 I268 S269 V273 N299L240-N271 PolarHBondContact O-ND2 3.41Å; C243-N271 WeakPolarHBondContact CA-OD1 3.43Å; C243-N271 PolarHBondContact N-OD1 3.16Å; D244-N271 PolarHBondContact N-OD1 3.48Å; M245-N271 HydrophobicContact CB-CB 3.91Å; M245-N271 WeakPolarHBondContact CB-OD1 3.23Å; M245-N271 PolarHBondContact N-OD1 2.83Å; M245-N271 WeakPolarHBondContact O-CB 3.27Å; I268-N271 PolarHBondContact O-ND2 2.82Å; S269-N271 PolarHBondContact O-N 2.79Å; S269-N271 VanDerWaalsContact O-N 3.15Å; S269-N271 PolarHBondContact O-ND2 2.97Å; N271-V273 HydrophobicContact CB-CG2 4.29Å; N271-N299 VanDerWaalsContact CA-OD1 3.28Å; N271-N299 WeakPolarHBondContact CA-OD1 3.41Å; N271-N299 WeakPolarHBondContact CB-OD1 3.35Å; N271-N299 PolarHBondContact N-OD1 3.28Å; N271-N299 PolarHBondContact O-OD1 2.95Å; N271-N299 VanDerWaalsContact O-OD1 3.13Å
272R95.3Very high96.5Very high140 Ų14027.3 Ų27.353%0.52814%0.135SC..  trans-11531.5176.9-55.9-169.2-160.2-164.77.9111.8D244 M245 R246 S274 N299D244-R272 IonicContact OD1-CZ 2.79Å; D244-R272 IonicContact OD1-NE 3.21Å; D244-R272 PolarHBondContact OD1-NE 2.78Å; D244-R272 IonicContact OD1-NH2 3.85Å; D244-R272 PolarHBondContact OD1-NH2 2.95Å; D244-R272 IonicContact OD2-NE 2.81Å; D244-R272 IonicContact OD2-NH2 2.84Å; M245-R272 CarbonylContact O-C 3.47Å; M245-R272 VanDerWaalsContact O-C 3.31Å; M245-R272 VanDerWaalsContact O-CA 3.28Å; M245-R272 WeakPolarHBondContact O-CA 3.47Å; M245-R272 PolarHBondContact O-N 2.97Å; R246-R272 HydrophobicContact CG-CB 3.97Å; R272-S274 PolarHBondContact O-N 3.18Å; R272-N299 PolarHBondContact N-OD1 3.23Å
273V97.7Very high96.4Very high0 Ų032.9 Ų32.90%015%0.154CC..  trans-65.7119.9173.7-177.90000108M245 A250 I268 N271 N299 R300M245-V273 HydrophobicContact CG-CG2 4.41Å; M245-V273 PolarHBondContact O-N 2.78Å; M245-V273 HydrophobicContact SD-CG2 4.36Å; A250-V273 HydrophobicContact CB-CG1 3.97Å; A250-V273 HydrophobicContact CB-CG2 4.03Å; I268-V273 HydrophobicContact CD1-CG2 4.4Å; N271-V273 HydrophobicContact CB-CG2 4.29Å; V273-N299 HydrophobicContact CB-CB 4.2Å; V273-N299 WeakPolarHBondContact CB-OD1 3.39Å; V273-N299 PolarHBondContact N-OD1 3.4Å; V273-N299 WeakPolarHBondContact O-CB 3.4Å; V273-R300 CarbonylContact O-C 3.31Å; V273-R300 WeakPolarHBondContact O-CA 3.44Å; V273-R300 PolarHBondContact O-N 3.26Å
274S98.4Very high96.3Very high26 Ų2633 Ų3318%0.18215%0.154CC..BIsolated β-bridgetrans-90.3-172.917892.20000110.8D247 R272 D276 G277 A278 R300D247-S274 VanDerWaalsContact CG-OG 3.23Å; D247-S274 WeakPolarHBondContact OD1-CA 3.41Å; D247-S274 PolarHBondContact OD1-N 2.83Å; D247-S274 PolarHBondContact OD1-OG 3.26Å; D247-S274 WeakPolarHBondContact OD2-CB 2.98Å; D247-S274 PolarHBondContact OD2-OG 2.92Å; R272-S274 PolarHBondContact O-N 3.18Å; S274-D276 PolarHBondContact O-N 2.8Å; S274-D276 PolarHBondContact OG-N 2.81Å; S274-D276 VanDerWaalsContact OG-N 3.13Å; S274-G277 PolarHBondContact O-N 3.26Å; S274-A278 WeakPolarHBondContact O-CB 3.31Å; S274-A278 PolarHBondContact O-N 3.24Å; S274-R300 CarbonylContact C-O 3.49Å; S274-R300 WeakPolarHBondContact CA-O 3.43Å
275R98.6Very high96.3Very high93 Ų9331.4 Ų31.435%0.35115%0.147SC..Hα-helixtrans-52.6-33.9169.167.5-179-176.7-130.3-0.9113.3A278 I279 R300 V301 Q302 K304R275-A278 PolarHBondContact O-N 3.45Å; R275-I279 WeakPolarHBondContact O-CB 3.07Å; R275-I279 WeakPolarHBondContact O-CD1 3.48Å; R275-I279 WeakPolarHBondContact O-CG1 3.46Å; R275-I279 PolarHBondContact O-N 3.4Å; R275-R300 PolarHBondContact N-O 2.97Å; R275-V301 WeakPolarHBondContact CA-O 3.44Å; R275-V301 WeakPolarHBondContact CB-O 3.18Å; R275-Q302 HydrophobicContact CB-CB 4.37Å; R275-K304 HydrophobicContact CB-CB 4.19Å
276D98.5Very high96.3Very high83 Ų8334.1 Ų34.144%0.44417%0.166SC..Hα-helixtrans-73.9-42.4-173-64.7-23.5000110.1S274 I279 L280S274-D276 PolarHBondContact O-N 2.8Å; S274-D276 PolarHBondContact OG-N 2.81Å; S274-D276 VanDerWaalsContact OG-N 3.13Å; D276-I279 PolarHBondContact O-N 3.21Å; D276-L280 WeakPolarHBondContact O-CG 3.4Å; D276-L280 PolarHBondContact O-N 2.94Å
277G98.2Very high96Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-66-38171.200000112.7D247 S274 I279 L280 L281D247-G277 VanDerWaalsContact CG-N 3.31Å; D247-G277 VanDerWaalsContact OD1-CA 3.28Å; D247-G277 WeakPolarHBondContact OD1-CA 3.34Å; D247-G277 PolarHBondContact OD1-N 3.05Å; S274-G277 PolarHBondContact O-N 3.26Å; G277-I279 VanDerWaalsContact C-N 3.35Å; G277-I279 PolarHBondContact O-N 2.97Å; G277-L280 PolarHBondContact O-N 3.22Å; G277-L280 VanDerWaalsContact O-N 3.14Å; G277-L281 PolarHBondContact O-N 2.7Å
278A98.6Very high95.2Very high0 Ų039.4 Ų39.40%019%0.193CC..Hα-helixtrans-64-37174.700000113S274 R275 L280 L281 S282 V301S274-A278 WeakPolarHBondContact O-CB 3.31Å; S274-A278 PolarHBondContact O-N 3.24Å; R275-A278 PolarHBondContact O-N 3.45Å; A278-L280 VanDerWaalsContact C-N 3.27Å; A278-L280 PolarHBondContact O-N 3.33Å; A278-L281 PolarHBondContact O-N 3.27Å; A278-S282 PolarHBondContact O-N 2.9Å; A278-V301 HydrophobicContact CB-CB 4.28Å; A278-V301 HydrophobicContact CB-CG1 3.74Å; A278-V301 HydrophobicContact CB-CG2 4.19Å
279I98.6Very high94.6Very high54 Ų5442.9 Ų42.928%0.27722%0.217SC..Hα-helixtrans-63.3-34.3173.1-73.2161.6000111.4R275 D276 G277 S282 A308R275-I279 WeakPolarHBondContact O-CB 3.07Å; R275-I279 WeakPolarHBondContact O-CD1 3.48Å; R275-I279 WeakPolarHBondContact O-CG1 3.46Å; R275-I279 PolarHBondContact O-N 3.4Å; D276-I279 PolarHBondContact O-N 3.21Å; G277-I279 VanDerWaalsContact C-N 3.35Å; G277-I279 PolarHBondContact O-N 2.97Å; I279-S282 PolarHBondContact O-OG 2.95Å; I279-A308 HydrophobicContact CB-CB 4.37Å; I279-A308 HydrophobicContact CG1-CB 3.72Å
280L97.5Very high94.6Very high48 Ų4843.8 Ų43.825%0.25122%0.222SC..Hα-helixtrans-72.6-42.6176.2-66.5170.3000111.2A251 A254 D276 G277 A278 S282 R283A251-L280 HydrophobicContact CB-CD1 3.44Å; A251-L280 VanDerWaalsContact CB-CD1 3.44Å; A254-L280 HydrophobicContact CB-CB 4.42Å; D276-L280 WeakPolarHBondContact O-CG 3.4Å; D276-L280 PolarHBondContact O-N 2.94Å; G277-L280 PolarHBondContact O-N 3.22Å; G277-L280 VanDerWaalsContact O-N 3.14Å; A278-L280 VanDerWaalsContact C-N 3.27Å; A278-L280 PolarHBondContact O-N 3.33Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 2.95Å; L280-R283 WeakPolarHBondContact O-CB 3.33Å; L280-R283 PolarHBondContact O-N 2.92Å; L280-R283 VanDerWaalsContact O-N 3.14Å
281L97.7Very high94.7Very high3 Ų342.5 Ų42.52%0.01621%0.21CC..Hα-helixtrans-63.7-31.6174.5-70.4167.3000112.8A250 A254 L266 I268 G277 A278 R283 V284 I285 L296A250-L281 HydrophobicContact CB-CD1 4.24Å; A254-L281 HydrophobicContact CB-CD2 4.12Å; L266-L281 HydrophobicContact CD2-CD2 4.47Å; I268-L281 HydrophobicContact CD1-CD1 3.61Å; G277-L281 PolarHBondContact O-N 2.7Å; A278-L281 PolarHBondContact O-N 3.27Å; L281-R283 PolarHBondContact O-N 3.09Å; L281-V284 VanDerWaalsContact O-CB 3.31Å; L281-V284 WeakPolarHBondContact O-CB 3.34Å; L281-V284 PolarHBondContact O-N 3.05Å; L281-V284 VanDerWaalsContact O-N 3.12Å; L281-I285 PolarHBondContact O-N 2.59Å; L281-L296 HydrophobicContact CD1-CD2 3.75Å
282S97.7Very high94.7Very high9 Ų943 Ų436%0.06321%0.214CC..Hα-helixtrans-65.8-23.817679.40000112.9A278 I279 L280 I285 S286 A308 A312A278-S282 PolarHBondContact O-N 2.9Å; I279-S282 PolarHBondContact O-OG 2.95Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 2.95Å; S282-I285 PolarHBondContact O-N 2.93Å; S282-S286 PolarHBondContact O-N 3.09Å; S282-S286 VanDerWaalsContact O-N 3.07Å; S282-S286 PolarHBondContact O-OG 2.94Å; S282-A308 WeakPolarHBondContact CB-O 3.48Å; S282-A308 WeakPolarHBondContact OG-CB 3.18Å; S282-A312 WeakPolarHBondContact O-CB 3.48Å
283R95.5Very high94.6Very high141 Ų14136.5 Ų36.553%0.53219%0.19SC..Hα-helixtrans-65.8-41.9172.5-62.5178.8178.9179.7-1111L280 L281 I285 S286 I287L280-R283 WeakPolarHBondContact O-CB 3.33Å; L280-R283 PolarHBondContact O-N 2.92Å; L280-R283 VanDerWaalsContact O-N 3.14Å; L281-R283 PolarHBondContact O-N 3.09Å; R283-I285 PolarHBondContact O-N 2.9Å; R283-S286 WeakPolarHBondContact O-CB 3.32Å; R283-S286 PolarHBondContact O-N 3.14Å; R283-I287 WeakPolarHBondContact O-CG1 3.43Å; R283-I287 PolarHBondContact O-N 3.12Å
284V94.5Very high94.5Very high2 Ų236.6 Ų36.61%0.01219%0.19CC..Hα-helixtrans-57.2-50.5172.9-177.50000109.6A254 L257 E258 L281 S286 I287 N288A254-V284 HydrophobicContact CB-CG2 3.69Å; A254-V284 VanDerWaalsContact O-CG2 3.3Å; A254-V284 WeakPolarHBondContact O-CG2 3.4Å; L257-V284 HydrophobicContact CB-CG1 3.62Å; L257-V284 HydrophobicContact CB-CG2 4.15Å; L257-V284 HydrophobicContact CD1-CG1 4.35Å; E258-V284 HydrophobicContact CG-CG2 4.47Å; L281-V284 VanDerWaalsContact O-CB 3.31Å; L281-V284 WeakPolarHBondContact O-CB 3.34Å; L281-V284 PolarHBondContact O-N 3.05Å; L281-V284 VanDerWaalsContact O-N 3.12Å; V284-S286 PolarHBondContact O-N 3.47Å; V284-S286 VanDerWaalsContact O-N 3.13Å; V284-I287 PolarHBondContact O-N 2.88Å; V284-N288 HydrophobicContact CG1-CB 3.49Å; V284-N288 VanDerWaalsContact CG1-CB 3.49Å; V284-N288 WeakPolarHBondContact O-CA 3.25Å; V284-N288 WeakPolarHBondContact O-CB 3.42Å; V284-N288 PolarHBondContact O-N 3.2Å
285I95.5Very high94.3Very high3 Ų335.7 Ų35.72%0.01518%0.184CC..Hα-helixtrans-58.3-31.3177.7-67.2161000112.2L281 S282 R283 I287 L294 L309 A312 L313 N316 L319L281-I285 PolarHBondContact O-N 2.59Å; S282-I285 PolarHBondContact O-N 2.93Å; R283-I285 PolarHBondContact O-N 2.9Å; I285-I287 VanDerWaalsContact C-N 3.32Å; I285-I287 PolarHBondContact O-N 3.19Å; I285-L294 HydrophobicContact CD1-CD2 3.67Å; I285-L294 HydrophobicContact CG1-CD2 4.46Å; I285-L309 HydrophobicContact CD1-CD2 3.37Å; I285-A312 HydrophobicContact CB-CB 3.96Å; I285-A312 HydrophobicContact CG2-CB 3.78Å; I285-L313 HydrophobicContact CG2-CD2 4.22Å; I285-N316 HydrophobicContact CG2-CB 3.77Å; I285-N316 WeakPolarHBondContact O-CB 3.33Å; I285-N316 PolarHBondContact O-ND2 3.3Å; I285-L319 HydrophobicContact CD1-CD2 4.18Å; I285-L319 HydrophobicContact CG1-CD2 4.37Å
286S93.7Very high94.2Very high60 Ų6031.3 Ų31.342%0.4217%0.167SC..Hα-helixtrans-73.4-21.7179.9-54.30000113.9S282 R283 V284 A312S282-S286 PolarHBondContact O-N 3.09Å; S282-S286 VanDerWaalsContact O-N 3.07Å; S282-S286 PolarHBondContact O-OG 2.94Å; R283-S286 WeakPolarHBondContact O-CB 3.32Å; R283-S286 PolarHBondContact O-N 3.14Å; V284-S286 PolarHBondContact O-N 3.47Å; V284-S286 VanDerWaalsContact O-N 3.13Å; S286-A312 WeakPolarHBondContact OG-CA 3.5Å; S286-A312 WeakPolarHBondContact OG-CB 3.43Å
287I90.2Very high94Very high104 Ų10427.3 Ų27.353%0.53315%0.146SC..Hα-helixtrans-127.2-32-171.170.2-176.7000114.3E258 R283 V284 I285E258-I287 HydrophobicContact CB-CD1 3.99Å; E258-I287 HydrophobicContact CG-CD1 3.79Å; R283-I287 WeakPolarHBondContact O-CG1 3.43Å; R283-I287 PolarHBondContact O-N 3.12Å; V284-I287 PolarHBondContact O-N 2.88Å; I285-I287 VanDerWaalsContact C-N 3.32Å; I285-I287 PolarHBondContact O-N 3.19Å
288N77.5Confident93.9Very high12 Ų1231.3 Ų31.36%0.06416%0.163CC..  trans-78.4132.5-175.5176.5-76000109.7L257 N260 V284 T290 L291L257-N288 PolarHBondContact O-ND2 3.21Å; N260-N288 PolarHBondContact O-ND2 3.34Å; V284-N288 HydrophobicContact CG1-CB 3.49Å; V284-N288 VanDerWaalsContact CG1-CB 3.49Å; V284-N288 WeakPolarHBondContact O-CA 3.25Å; V284-N288 WeakPolarHBondContact O-CB 3.42Å; V284-N288 PolarHBondContact O-N 3.2Å; N288-T290 PolarHBondContact ND2-OG1 2.73Å; N288-T290 PolarHBondContact OD1-N 3Å; N288-T290 PolarHBondContact OD1-OG1 3.35Å; N288-L291 PolarHBondContact OD1-N 3.45Å
289C81.7Confident93.8Very high73 Ų7331.5 Ų31.549%0.49316%0.164SC..SBendtrans-106.513.5-174.958.20000114.1H318C289-H318 VanDerWaalsContact CA-CD2 3.42Å; C289-H318 WeakPolarHBondContact CA-CD2 3.46Å; C289-H318 VanDerWaalsContact CB-NE2 3.33Å; C289-H318 WeakPolarHBondContact CB-NE2 3.37Å; C289-H318 PolarHBondContact O-CE1 3.4Å; C289-H318 VanDerWaalsContact O-CG 3.24Å; C289-H318 PolarHBondContact O-ND1 3.05Å
290T94.3Very high93.7Very high22 Ų2235.8 Ų35.814%0.13518%0.177CC..  trans-119.9-32.1-174.266.60000113.5D261 L263 E264 N288 V292D261-T290 HydrophobicContact CB-CG2 4.5Å; L263-T290 CarbonylContact O-C 3.43Å; L263-T290 WeakPolarHBondContact O-CB 3.26Å; L263-T290 PolarHBondContact O-OG1 2.88Å; E264-T290 WeakPolarHBondContact CA-O 3.47Å; N288-T290 PolarHBondContact ND2-OG1 2.73Å; N288-T290 PolarHBondContact OD1-N 3Å; N288-T290 PolarHBondContact OD1-OG1 3.35Å; T290-V292 WeakPolarHBondContact O-CG2 3.32Å; T290-V292 PolarHBondContact O-N 3Å; T290-V292 VanDerWaalsContact O-N 3.1Å
291L95.2Very high93.8Very high7 Ų733.5 Ų33.54%0.03717%0.165CC..  trans-67.1113.4-178.1-163.369.3000110.7L266 N288 V293 L294 L319L266-L291 HydrophobicContact CB-CD1 3.91Å; N288-L291 PolarHBondContact OD1-N 3.45Å; L291-V293 WeakPolarHBondContact CD1-O 3.47Å; L291-L294 HydrophobicContact CD2-CB 4.04Å; L291-L294 HydrophobicContact CD2-CD1 4.3Å; L291-L319 HydrophobicContact CB-CD1 4.46Å; L291-L319 HydrophobicContact CD2-CD1 4.23Å; L291-L319 HydrophobicContact CG-CD1 4.04Å; L291-L319 WeakPolarHBondContact O-CA 3.36Å; L291-L319 WeakPolarHBondContact O-CD1 3.42Å; L291-L319 PolarHBondContact O-N 3.44Å
292V94Very high93.8Very high22 Ų2236 Ų3613%0.13318%0.177CC..  trans-94.7-36.5177.9-179.70000110.7E264 T290 K320 V321 L423E264-V292 HydrophobicContact CB-CG2 4.21Å; E264-V292 HydrophobicContact CG-CG2 4.48Å; E264-V292 WeakPolarHBondContact O-CA 3.21Å; E264-V292 PolarHBondContact O-N 2.83Å; T290-V292 WeakPolarHBondContact O-CG2 3.32Å; T290-V292 PolarHBondContact O-N 3Å; T290-V292 VanDerWaalsContact O-N 3.1Å; V292-K320 HydrophobicContact CG1-CB 3.83Å; V292-K320 HydrophobicContact CG1-CD 3.85Å; V292-K320 HydrophobicContact CG1-CG 3.9Å; V292-K320 PolarHBondContact O-N 3.33Å; V292-V321 PolarHBondContact O-N 3.32Å; V292-L423 HydrophobicContact CB-CD2 4.3Å; V292-L423 HydrophobicContact CG2-CD2 4.38Å
293V93.1Very high93.8Very high5 Ų536.8 Ų36.83%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-128.2125.8-176.3-1780000110.1E264 L265 L266 L291 V321 Y404E264-V293 PolarHBondContact O-N 3.43Å; L265-V293 WeakPolarHBondContact CA-O 3.31Å; L265-V293 HydrophobicContact CB-CB 4.13Å; L265-V293 HydrophobicContact CD1-CB 4.17Å; L265-V293 HydrophobicContact CD1-CG1 4.15Å; L265-V293 HydrophobicContact CD1-CG2 4.4Å; L265-V293 HydrophobicContact CG-CB 3.83Å; L265-V293 HydrophobicContact CG-CG1 3.96Å; L266-V293 PolarHBondContact N-O 2.77Å; L291-V293 WeakPolarHBondContact CD1-O 3.47Å; V293-V321 HydrophobicContact CB-CB 4.33Å; V293-V321 HydrophobicContact CG1-CB 4.09Å; V293-V321 HydrophobicContact CG1-CG1 4.25Å; V293-V321 HydrophobicContact CG2-CB 4Å; V293-V321 HydrophobicContact CG2-CG2 4.09Å; V293-Y404 HydrophobicContact CG1-CD1 4.47Å; V293-Y404 HydrophobicContact CG1-CG 4.34Å; V293-Y404 HydrophobicContact CG2-CD1 3.79Å; V293-Y404 HydrophobicContact CG2-CE1 3.62Å; V293-Y404 HydrophobicContact CG2-CG 4.37Å
294L95.1Very high94Very high2 Ų236.2 Ų36.21%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-124.1113.8169.6179.461000109.9L266 I285 L291 L296 L319 V321 L322 A323L266-L294 HydrophobicContact CB-CD1 4.24Å; L266-L294 HydrophobicContact CD2-CD1 4.02Å; L266-L294 HydrophobicContact CG-CD1 4.35Å; I285-L294 HydrophobicContact CD1-CD2 3.67Å; I285-L294 HydrophobicContact CG1-CD2 4.46Å; L291-L294 HydrophobicContact CD2-CB 4.04Å; L291-L294 HydrophobicContact CD2-CD1 4.3Å; L294-L296 HydrophobicContact CD1-CG 4.27Å; L294-L296 HydrophobicContact CD2-CD1 3.79Å; L294-L296 HydrophobicContact CD2-CG 4.2Å; L294-L296 HydrophobicContact CG-CD1 4.15Å; L294-L296 HydrophobicContact CG-CG 4.02Å; L294-L319 HydrophobicContact CB-CD1 3.94Å; L294-V321 PolarHBondContact N-O 2.94Å; L294-L322 HydrophobicContact CB-CD1 4.32Å; L294-L322 HydrophobicContact CD2-CD1 4.26Å; L294-L322 HydrophobicContact CG-CD1 4.37Å; L294-A323 PolarHBondContact O-N 2.61Å
295D94.1Very high94.2Very high7 Ų736.1 Ų36.14%0.03718%0.183CC..EExtended strand (participates in β ladder)trans-103107.3173.7-165.4-13.1000111.3L266 D267 I268 S269 A297 A323 Y401 R405L266-D295 PolarHBondContact O-N 2.83Å; D267-D295 HydrophobicContact CB-CB 4.22Å; I268-D295 CarbonylContact C-O 3.5Å; I268-D295 PolarHBondContact N-O 2.78Å; S269-D295 WeakPolarHBondContact CB-OD1 3.45Å; S269-D295 PolarHBondContact N-O 3.49Å; D295-A297 WeakPolarHBondContact OD1-CB 3.44Å; D295-A297 PolarHBondContact OD1-N 3.13Å; D295-A323 HydrophobicContact CB-CB 4.25Å; D295-A323 WeakPolarHBondContact OD1-CB 3.36Å; D295-Y401 PolarHBondContact OD1-OH 3.07Å; D295-Y401 WeakPolarHBondContact OD2-CE2 3.33Å; D295-Y401 PolarHBondContact OD2-OH 2.86Å; D295-Y401 VanDerWaalsContact OD2-OH 3.09Å; D295-R405 IonicContact OD1-NH2 2.86Å; D295-R405 PolarHBondContact OD1-NH2 2.88Å; D295-R405 IonicContact OD2-CZ 2.69Å; D295-R405 IonicContact OD2-NE 3.94Å; D295-R405 PolarHBondContact OD2-NE 2.75Å; D295-R405 IonicContact OD2-NH2 3.85Å; D295-R405 PolarHBondContact OD2-NH2 3.41Å
296L96.7Very high94.3Very high0 Ų036 Ų360%018%0.182CC..  trans-108.13.9175.9-78.3169.6000112.2I268 L281 L294 N299 V301 L309 A323 V324 C327I268-L296 HydrophobicContact CD1-CD2 3.74Å; I268-L296 HydrophobicContact CG1-CD2 3.94Å; L281-L296 HydrophobicContact CD1-CD2 3.75Å; L294-L296 HydrophobicContact CD1-CG 4.27Å; L294-L296 HydrophobicContact CD2-CD1 3.79Å; L294-L296 HydrophobicContact CD2-CG 4.2Å; L294-L296 HydrophobicContact CG-CD1 4.15Å; L294-L296 HydrophobicContact CG-CG 4.02Å; L296-N299 VanDerWaalsContact O-CB 3.28Å; L296-N299 WeakPolarHBondContact O-CB 3.35Å; L296-N299 PolarHBondContact O-N 2.94Å; L296-N299 PolarHBondContact O-ND2 3.19Å; L296-V301 HydrophobicContact CB-CG2 4.25Å; L296-V301 HydrophobicContact CD1-CG2 4.35Å; L296-L309 HydrophobicContact CD1-CD1 3.9Å; L296-L309 HydrophobicContact CD1-CD2 4.45Å; L296-A323 CarbonylContact C-O 3.46Å; L296-A323 WeakPolarHBondContact CA-O 3.44Å; L296-A323 WeakPolarHBondContact CB-O 3.28Å; L296-A323 PolarHBondContact N-O 3.43Å; L296-V324 HydrophobicContact CB-CG1 4.22Å; L296-C327 PolarHBondContact O-SG 2.89Å
297A94.6Very high94.6Very high0 Ų036.4 Ų36.40%018%0.178CC..THydrogen-bonded Turntrans-55.4151.3-173.100000112.2S269 A270 D295 N299 A323 Q325 Y401S269-A297 CarbonylContact C-O 3.41Å; S269-A297 WeakPolarHBondContact CA-O 3.39Å; S269-A297 WeakPolarHBondContact CB-O 3.48Å; A270-A297 PolarHBondContact N-O 3.18Å; D295-A297 WeakPolarHBondContact OD1-CB 3.44Å; D295-A297 PolarHBondContact OD1-N 3.13Å; A297-N299 VanDerWaalsContact C-N 3.26Å; A297-N299 PolarHBondContact O-N 3.18Å; A297-N299 PolarHBondContact O-ND2 2.86Å; A297-A323 PolarHBondContact N-O 3.22Å; A297-Q325 CarbonylContact C-O 3.48Å; A297-Q325 VanDerWaalsContact CA-O 3.31Å; A297-Q325 WeakPolarHBondContact CA-O 3.41Å; A297-Q325 HydrophobicContact CB-CB 4.07Å; A297-Q325 VanDerWaalsContact CB-OE1 3.27Å; A297-Y401 WeakPolarHBondContact CB-OH 3.39Å
298F95.3Very high95Very high83 Ų8332.3 Ų32.336%0.36416%0.16SC..THydrogen-bonded Turntrans59.432.5-179.5-53-90.8000113.9A270 Q325 F326A270-F298 WeakPolarHBondContact CA-O 3.47Å; A270-F298 HydrophobicContact CB-CB 3.96Å; F298-Q325 PolarHBondContact N-O 3.26Å; F298-F326 HydrophobicContact CD1-CB 3.66Å; F298-F326 AromaticContact CD1-CD2 3.85Å; F298-F326 HydrophobicContact CD1-CD2 3.85Å; F298-F326 AromaticContact CD1-CG 3.88Å; F298-F326 HydrophobicContact CD1-CG 3.88Å; F298-F326 HydrophobicContact CE1-CB 3.94Å; F298-F326 HydrophobicContact CE1-CD1 4.45Å; F298-F326 AromaticContact CE1-CD2 3.19Å; F298-F326 HydrophobicContact CE1-CD2 3.19Å; F298-F326 AromaticContact CE1-CE2 3.74Å; F298-F326 HydrophobicContact CE1-CE2 3.74Å; F298-F326 AromaticContact CE1-CG 3.62Å; F298-F326 HydrophobicContact CE1-CG 3.62Å; F298-F326 HydrophobicContact CE2-CD2 4.24Å; F298-F326 HydrophobicContact CG-CB 4.23Å; F298-F326 AromaticContact CZ-CD2 3.43Å; F298-F326 HydrophobicContact CZ-CD2 3.43Å; F298-F326 VanDerWaalsContact CZ-CD2 3.43Å; F298-F326 AromaticContact CZ-CE2 3.8Å; F298-F326 HydrophobicContact CZ-CE2 3.8Å; F298-F326 HydrophobicContact CZ-CG 4.29Å
299N96.9Very high96Very high5 Ų531.8 Ų31.83%0.02716%0.157CC..SBendtrans-107.9-164.6168.5-79.9-79.1000110.5I268 N271 R272 V273 L296 A297 V301 C327I268-N299 PolarHBondContact O-ND2 3.07Å; N271-N299 VanDerWaalsContact CA-OD1 3.28Å; N271-N299 WeakPolarHBondContact CA-OD1 3.41Å; N271-N299 WeakPolarHBondContact CB-OD1 3.35Å; N271-N299 PolarHBondContact N-OD1 3.28Å; N271-N299 PolarHBondContact O-OD1 2.95Å; N271-N299 VanDerWaalsContact O-OD1 3.13Å; R272-N299 PolarHBondContact N-OD1 3.23Å; V273-N299 HydrophobicContact CB-CB 4.2Å; V273-N299 WeakPolarHBondContact CB-OD1 3.39Å; V273-N299 PolarHBondContact N-OD1 3.4Å; V273-N299 WeakPolarHBondContact O-CB 3.4Å; L296-N299 VanDerWaalsContact O-CB 3.28Å; L296-N299 WeakPolarHBondContact O-CB 3.35Å; L296-N299 PolarHBondContact O-N 2.94Å; L296-N299 PolarHBondContact O-ND2 3.19Å; A297-N299 VanDerWaalsContact C-N 3.26Å; A297-N299 PolarHBondContact O-N 3.18Å; A297-N299 PolarHBondContact O-ND2 2.86Å; N299-V301 HydrophobicContact CB-CG2 4.36Å; N299-C327 VanDerWaalsContact O-CA 3.3Å; N299-C327 WeakPolarHBondContact O-CA 3.47Å
300R97.5Very high96.8Very high144 Ų14428.4 Ų28.454%0.54313%0.134SC..BIsolated β-bridgetrans-120.448.7176.6-61.4-171.7175.6166-0.1111.8V273 S274 R275 Q302 E328V273-R300 CarbonylContact O-C 3.31Å; V273-R300 WeakPolarHBondContact O-CA 3.44Å; V273-R300 PolarHBondContact O-N 3.26Å; S274-R300 CarbonylContact C-O 3.49Å; S274-R300 WeakPolarHBondContact CA-O 3.43Å; R275-R300 PolarHBondContact N-O 2.97Å; R300-Q302 WeakPolarHBondContact O-CG 3.38Å; R300-Q302 PolarHBondContact O-N 2.88Å; R300-E328 WeakPolarHBondContact CD-OE1 3.44Å; R300-E328 WeakPolarHBondContact CG-OE1 3.27Å; R300-E328 IonicContact NE-OE1 2.8Å; R300-E328 PolarHBondContact NE-OE1 3.2Å
301V98.6Very high97Very high0 Ų032.2 Ų32.20%015%0.154CC..  trans-55.8-38.9-178.3175.70000111.7R275 A278 L296 N299 G305 A306 L309 C327 L329R275-V301 WeakPolarHBondContact CA-O 3.44Å; R275-V301 WeakPolarHBondContact CB-O 3.18Å; A278-V301 HydrophobicContact CB-CB 4.28Å; A278-V301 HydrophobicContact CB-CG1 3.74Å; A278-V301 HydrophobicContact CB-CG2 4.19Å; L296-V301 HydrophobicContact CB-CG2 4.25Å; L296-V301 HydrophobicContact CD1-CG2 4.35Å; N299-V301 HydrophobicContact CB-CG2 4.36Å; V301-G305 WeakPolarHBondContact O-CA 3.36Å; V301-G305 PolarHBondContact O-N 3.21Å; V301-A306 HydrophobicContact CG1-CB 4.46Å; V301-L309 HydrophobicContact CG1-CD1 4.08Å; V301-C327 HydrophobicContact CB-CB 4Å; V301-C327 HydrophobicContact CG2-CB 4.06Å; V301-C327 PolarHBondContact N-O 2.96Å; V301-L329 HydrophobicContact CB-CD1 4.14Å; V301-L329 HydrophobicContact CG1-CD1 4.37Å
302Q98.5Very high97.1Very high55 Ų5532 Ų3226%0.25715%0.153SC..Hα-helixtrans56.2177.2-179.2-62.2172-1400113.5R275 R300 K304 G305 A306 C327 E328R275-Q302 HydrophobicContact CB-CB 4.37Å; R300-Q302 WeakPolarHBondContact O-CG 3.38Å; R300-Q302 PolarHBondContact O-N 2.88Å; Q302-K304 VanDerWaalsContact C-N 3.32Å; Q302-K304 PolarHBondContact O-N 2.84Å; Q302-G305 PolarHBondContact O-N 3.08Å; Q302-A306 WeakPolarHBondContact O-CB 3.38Å; Q302-A306 PolarHBondContact O-N 2.91Å; Q302-C327 PolarHBondContact N-O 3.39Å; Q302-E328 WeakPolarHBondContact CA-O 3.37Å; Q302-E328 HydrophobicContact CG-CB 3.93Å; Q302-E328 PolarHBondContact NE2-OE2 3.07Å
303C98.5Very high97.2Very high25 Ų2531 Ų3117%0.16915%0.146CC..Hα-helixtrans-60.3-38.3-177.9-62.70000113.5A306 M307 K330C303-A306 PolarHBondContact O-N 3.06Å; C303-M307 WeakPolarHBondContact O-CB 3.15Å; C303-M307 WeakPolarHBondContact O-CG 3.37Å; C303-M307 PolarHBondContact O-N 2.82Å; C303-K330 PolarHBondContact SG-N 3.38Å
304K98.6Very high97.4Very high130 Ų13034 Ų3457%0.56516%0.162SC*.Hα-helixtrans-65.8-42.7-178.7-74.4-174.2174.3-175.60112.4R275 Q302 A308R275-K304 HydrophobicContact CB-CB 4.19Å; Q302-K304 VanDerWaalsContact C-N 3.32Å; Q302-K304 PolarHBondContact O-N 2.84Å; K304-A308 PolarHBondContact O-N 2.76Å; K304-A308 VanDerWaalsContact O-N 3.16Å
305G98.7Very high97.2Very high0 Ų042.7 Ų42.70%020%0.196CC..Hα-helixtrans-65.6-43.3174.700000111.5V301 Q302 M307 A308 L309V301-G305 WeakPolarHBondContact O-CA 3.36Å; V301-G305 PolarHBondContact O-N 3.21Å; Q302-G305 PolarHBondContact O-N 3.08Å; G305-M307 PolarHBondContact O-N 3.47Å; G305-A308 PolarHBondContact O-N 3.22Å; G305-A308 VanDerWaalsContact O-N 3.15Å; G305-L309 WeakPolarHBondContact O-CG 3.42Å; G305-L309 PolarHBondContact O-N 3.41Å
306A98.8Very high97.3Very high0 Ų042.7 Ų42.70%020%0.196CC..Hα-helixtrans-62.1-40177.600000113V301 Q302 C303 A308 L309 A310 L329 L337V301-A306 HydrophobicContact CG1-CB 4.46Å; Q302-A306 WeakPolarHBondContact O-CB 3.38Å; Q302-A306 PolarHBondContact O-N 2.91Å; C303-A306 PolarHBondContact O-N 3.06Å; A306-A308 VanDerWaalsContact C-N 3.35Å; A306-L309 PolarHBondContact O-N 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.39Å; A306-A310 PolarHBondContact O-N 3.2Å; A306-L329 HydrophobicContact CB-CD1 4.44Å; A306-L329 HydrophobicContact CB-CD2 3.65Å; A306-L329 HydrophobicContact CB-CG 3.79Å; A306-L337 HydrophobicContact CB-CD1 4.12Å; A306-L337 HydrophobicContact CB-CG 4.33Å
307M98.8Very high97.2Very high69 Ų6947 Ų4734%0.3422%0.223SC..Hα-helixtrans-64.6-37.8174.1-73.3169.4177.100112.3C303 G305 A310 N311 P332 A336C303-M307 WeakPolarHBondContact O-CB 3.15Å; C303-M307 WeakPolarHBondContact O-CG 3.37Å; C303-M307 PolarHBondContact O-N 2.82Å; G305-M307 PolarHBondContact O-N 3.47Å; M307-A310 PolarHBondContact O-N 2.87Å; M307-N311 WeakPolarHBondContact O-CB 3.31Å; M307-N311 VanDerWaalsContact O-CG 3.26Å; M307-N311 PolarHBondContact O-N 3.37Å; M307-N311 PolarHBondContact O-ND2 3.43Å; M307-P332 HydrophobicContact CE-CB 3.35Å; M307-A336 HydrophobicContact CB-CB 4.5Å; M307-A336 HydrophobicContact CG-CB 3.84Å
308A98.6Very high97.2Very high18 Ų1850.4 Ų50.415%0.14924%0.238CC..Hα-helixtrans-67.5-41.917600000111.7I279 S282 K304 G305 A306 N311 A312I279-A308 HydrophobicContact CB-CB 4.37Å; I279-A308 HydrophobicContact CG1-CB 3.72Å; S282-A308 WeakPolarHBondContact CB-O 3.48Å; S282-A308 WeakPolarHBondContact OG-CB 3.18Å; K304-A308 PolarHBondContact O-N 2.76Å; K304-A308 VanDerWaalsContact O-N 3.16Å; G305-A308 PolarHBondContact O-N 3.22Å; G305-A308 VanDerWaalsContact O-N 3.15Å; A306-A308 VanDerWaalsContact C-N 3.35Å; A308-N311 PolarHBondContact O-N 2.82Å; A308-A312 PolarHBondContact O-N 2.82Å
309L98.5Very high97.2Very high0 Ų046.5 Ų46.50%022%0.221CC..Hα-helixtrans-60.2-47.5171.8-67.7168.7000111.2I285 L296 V301 G305 A306 N311 A312 L313 V324 L337I285-L309 HydrophobicContact CD1-CD2 3.37Å; L296-L309 HydrophobicContact CD1-CD1 3.9Å; L296-L309 HydrophobicContact CD1-CD2 4.45Å; V301-L309 HydrophobicContact CG1-CD1 4.08Å; G305-L309 WeakPolarHBondContact O-CG 3.42Å; G305-L309 PolarHBondContact O-N 3.41Å; A306-L309 PolarHBondContact O-N 3.28Å; L309-N311 PolarHBondContact O-N 2.93Å; L309-A312 WeakPolarHBondContact O-CB 3.14Å; L309-A312 PolarHBondContact O-N 3.02Å; L309-A312 VanDerWaalsContact O-N 3.16Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.17Å; L309-V324 HydrophobicContact CD1-CG1 4.44Å; L309-L337 HydrophobicContact CB-CD2 4.32Å
310A98.5Very high97Very high2 Ų249.3 Ų49.32%0.01723%0.233CC..Hα-helixtrans-56.7-46.1176.700000112.4A306 M307 A312 L313 I314 A336 L337 S340A306-A310 WeakPolarHBondContact O-CB 3.39Å; A306-A310 PolarHBondContact O-N 3.2Å; M307-A310 PolarHBondContact O-N 2.87Å; A310-A312 VanDerWaalsContact C-N 3.32Å; A310-A312 PolarHBondContact O-N 2.82Å; A310-L313 WeakPolarHBondContact O-CB 3.08Å; A310-L313 PolarHBondContact O-N 3.48Å; A310-I314 PolarHBondContact O-N 2.94Å; A310-A336 VanDerWaalsContact CB-C 3.47Å; A310-A336 HydrophobicContact CB-CB 3.88Å; A310-A336 VanDerWaalsContact CB-O 3.31Å; A310-A336 WeakPolarHBondContact CB-O 3.38Å; A310-L337 HydrophobicContact CB-CD2 4.17Å; A310-S340 WeakPolarHBondContact O-CB 3.4Å
311N98.2Very high96.8Very high103 Ų10342.5 Ų42.555%0.55121%0.208SC*.Hα-helixtrans-62.9-38.8177.2-73.4-22.3000112.4M307 A308 L309M307-N311 WeakPolarHBondContact O-CB 3.31Å; M307-N311 VanDerWaalsContact O-CG 3.26Å; M307-N311 PolarHBondContact O-N 3.37Å; M307-N311 PolarHBondContact O-ND2 3.43Å; A308-N311 PolarHBondContact O-N 2.82Å; L309-N311 PolarHBondContact O-N 2.93Å
312A97.4Very high96.6Very high2 Ų242.5 Ų42.52%0.01721%0.208CC..Hα-helixtrans-66.3-39.5175.500000111.9S282 I285 S286 A308 L309 A310 I314 Y315 N316S282-A312 WeakPolarHBondContact O-CB 3.48Å; I285-A312 HydrophobicContact CB-CB 3.96Å; I285-A312 HydrophobicContact CG2-CB 3.78Å; S286-A312 WeakPolarHBondContact OG-CA 3.5Å; S286-A312 WeakPolarHBondContact OG-CB 3.43Å; A308-A312 PolarHBondContact O-N 2.82Å; L309-A312 WeakPolarHBondContact O-CB 3.14Å; L309-A312 PolarHBondContact O-N 3.02Å; L309-A312 VanDerWaalsContact O-N 3.16Å; A310-A312 VanDerWaalsContact C-N 3.32Å; A310-A312 PolarHBondContact O-N 2.82Å; A312-I314 VanDerWaalsContact C-N 3.29Å; A312-I314 PolarHBondContact O-N 3.17Å; A312-Y315 PolarHBondContact O-N 3.14Å; A312-N316 PolarHBondContact O-N 3.41Å
313L97.5Very high96.4Very high0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-62.1-32.8179.4-74.6168000112.6I285 L309 A310 Y315 N316 L319 L322 L337 N344 L347I285-L313 HydrophobicContact CG2-CD2 4.22Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.17Å; A310-L313 WeakPolarHBondContact O-CB 3.08Å; A310-L313 PolarHBondContact O-N 3.48Å; L313-Y315 PolarHBondContact O-N 2.79Å; L313-N316 PolarHBondContact O-N 2.94Å; L313-N316 VanDerWaalsContact O-N 3.12Å; L313-L319 HydrophobicContact CD2-CD2 3.93Å; L313-L322 HydrophobicContact CD1-CD2 4.01Å; L313-L337 HydrophobicContact CD1-CD2 4.13Å; L313-N344 PolarHBondContact O-ND2 2.82Å; L313-L347 HydrophobicContact CD1-CD2 3.96Å; L313-L347 HydrophobicContact CD2-CD1 4.4Å; L313-L347 HydrophobicContact CD2-CD2 4.19Å
314I95.5Very high96.3Very high69 Ų6938.8 Ų38.835%0.35419%0.188SC..THydrogen-bonded Turntrans-51.1-35.3180-66.7168.6000112.4A310 A312A310-I314 PolarHBondContact O-N 2.94Å; A312-I314 VanDerWaalsContact C-N 3.29Å; A312-I314 PolarHBondContact O-N 3.17Å
315Y92.1Very high96.1Very high185 Ų18533.1 Ų33.173%0.72516%0.163SC*.THydrogen-bonded Turntrans-107.6-10.7-177.6-53-74.7000113.9A312 L313A312-Y315 PolarHBondContact O-N 3.14Å; L313-Y315 PolarHBondContact O-N 2.79Å
316N95.8Very high96Very high7 Ų737.6 Ų37.64%0.03718%0.183CC..  trans-73.7131.6-177.5-180-83.2000111.2I285 A312 L313 H318 L319 N344I285-N316 HydrophobicContact CG2-CB 3.77Å; I285-N316 WeakPolarHBondContact O-CB 3.33Å; I285-N316 PolarHBondContact O-ND2 3.3Å; A312-N316 PolarHBondContact O-N 3.41Å; L313-N316 PolarHBondContact O-N 2.94Å; L313-N316 VanDerWaalsContact O-N 3.12Å; N316-H318 PolarHBondContact OD1-N 3.04Å; N316-L319 WeakPolarHBondContact OD1-CB 3.27Å; N316-L319 PolarHBondContact OD1-N 2.83Å; N316-N344 PolarHBondContact O-ND2 3.34Å
317T95Very high95.9Very high91 Ų9137.6 Ų37.656%0.55818%0.183SC*.SBendtrans-117.522.9-178.755.90000113.2T346T317-T346 VanDerWaalsContact C-CG2 3.48Å; T317-T346 WeakPolarHBondContact CA-OG1 3.21Å
318H94.9Very high95.8Very high71 Ų7138.8 Ų38.833%0.32919%0.188SC..SBendtrans-135-39.9-171.6-65.6-83.2000114.8C289 N316 K320C289-H318 VanDerWaalsContact CA-CD2 3.42Å; C289-H318 WeakPolarHBondContact CA-CD2 3.46Å; C289-H318 VanDerWaalsContact CB-NE2 3.33Å; C289-H318 WeakPolarHBondContact CB-NE2 3.37Å; C289-H318 PolarHBondContact O-CE1 3.4Å; C289-H318 VanDerWaalsContact O-CG 3.24Å; C289-H318 PolarHBondContact O-ND1 3.05Å; N316-H318 PolarHBondContact OD1-N 3.04Å; H318-K320 PolarHBondContact O-N 3.08Å
319L94.8Very high95.8Very high1 Ų138 Ų381%0.00518%0.181CC..  trans-69.6113.6-177.7-164.778.3000109.6I285 L291 L294 L313 N316 L322 L347I285-L319 HydrophobicContact CD1-CD2 4.18Å; I285-L319 HydrophobicContact CG1-CD2 4.37Å; L291-L319 HydrophobicContact CB-CD1 4.46Å; L291-L319 HydrophobicContact CD2-CD1 4.23Å; L291-L319 HydrophobicContact CG-CD1 4.04Å; L291-L319 WeakPolarHBondContact O-CA 3.36Å; L291-L319 WeakPolarHBondContact O-CD1 3.42Å; L291-L319 PolarHBondContact O-N 3.44Å; L294-L319 HydrophobicContact CB-CD1 3.94Å; L313-L319 HydrophobicContact CD2-CD2 3.93Å; N316-L319 WeakPolarHBondContact OD1-CB 3.27Å; N316-L319 PolarHBondContact OD1-N 2.83Å; L319-L322 HydrophobicContact CD2-CB 4.21Å; L319-L347 HydrophobicContact CD2-CD1 4.21Å; L319-L347 HydrophobicContact CG-CD1 4.26Å; L319-L347 VanDerWaalsContact O-CA 3.31Å; L319-L347 WeakPolarHBondContact O-CA 3.46Å; L319-L347 WeakPolarHBondContact O-CD1 3.29Å; L319-L347 PolarHBondContact O-N 3.16Å
320K93.2Very high95.8Very high63 Ų6342.6 Ų42.627%0.27420%0.201SC..  trans-96.1-26.9178.7-64.8-175.7-178.9-179.20112.7V292 H318 T346 E348 C349V292-K320 HydrophobicContact CG1-CB 3.83Å; V292-K320 HydrophobicContact CG1-CD 3.85Å; V292-K320 HydrophobicContact CG1-CG 3.9Å; V292-K320 PolarHBondContact O-N 3.33Å; H318-K320 PolarHBondContact O-N 3.08Å; K320-T346 HydrophobicContact CG-CG2 4.41Å; K320-E348 PolarHBondContact O-N 3.14Å; K320-C349 PolarHBondContact O-N 3.19Å
321V92.8Very high95.8Very high2 Ų242.5 Ų42.51%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-132124.3-176.1-173.90000111V292 V293 L294 C349 Y351 Y404V292-V321 PolarHBondContact O-N 3.32Å; V293-V321 HydrophobicContact CB-CB 4.33Å; V293-V321 HydrophobicContact CG1-CB 4.09Å; V293-V321 HydrophobicContact CG1-CG1 4.25Å; V293-V321 HydrophobicContact CG2-CB 4Å; V293-V321 HydrophobicContact CG2-CG2 4.09Å; L294-V321 PolarHBondContact N-O 2.94Å; V321-C349 WeakPolarHBondContact CA-O 3.45Å; V321-C349 HydrophobicContact CB-CB 4.38Å; V321-C349 HydrophobicContact CG1-CB 4.1Å; V321-C349 HydrophobicContact CG2-CB 4.03Å; V321-Y351 HydrophobicContact CG1-CD2 4.28Å; V321-Y351 HydrophobicContact CG1-CE2 3.85Å; V321-Y404 HydrophobicContact CG2-CE2 3.91Å
322L95.1Very high95.8Very high0 Ų040.8 Ų40.80%020%0.195CC..EExtended strand (participates in β ladder)trans-124.3122.3171.517862.5000110.4L294 L313 L319 V324 L337 L347 C349 I350 Y351L294-L322 HydrophobicContact CB-CD1 4.32Å; L294-L322 HydrophobicContact CD2-CD1 4.26Å; L294-L322 HydrophobicContact CG-CD1 4.37Å; L313-L322 HydrophobicContact CD1-CD2 4.01Å; L319-L322 HydrophobicContact CD2-CB 4.21Å; L322-V324 HydrophobicContact CD1-CG1 4Å; L322-V324 HydrophobicContact CD2-CG1 4.43Å; L322-V324 HydrophobicContact CG-CG1 4.07Å; L322-L337 HydrophobicContact CD2-CD2 4.05Å; L322-L347 HydrophobicContact CB-CD1 3.91Å; L322-L347 HydrophobicContact CB-CD2 4.38Å; L322-C349 PolarHBondContact N-O 2.76Å; L322-I350 WeakPolarHBondContact O-CA 3.39Å; L322-Y351 PolarHBondContact O-N 3.41Å
323A94Very high95.8Very high1 Ų140.7 Ų40.71%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-113.2120.617600000111L294 D295 L296 A297 Y351 Y401L294-A323 PolarHBondContact O-N 2.61Å; D295-A323 HydrophobicContact CB-CB 4.25Å; D295-A323 WeakPolarHBondContact OD1-CB 3.36Å; L296-A323 CarbonylContact C-O 3.46Å; L296-A323 WeakPolarHBondContact CA-O 3.44Å; L296-A323 WeakPolarHBondContact CB-O 3.28Å; L296-A323 PolarHBondContact N-O 3.43Å; A297-A323 PolarHBondContact N-O 3.22Å; A323-Y351 HydrophobicContact CB-CD2 4.29Å; A323-Y401 HydrophobicContact CB-CD2 4.01Å; A323-Y401 HydrophobicContact CB-CE2 3.24Å
324V96.6Very high95.9Very high0 Ų040.7 Ų40.70%019%0.194CC..  trans-13832.8-177.6-68.70000111L296 L309 L322 C327 L329 L337 Y351 I352 N355L296-V324 HydrophobicContact CB-CG1 4.22Å; L309-V324 HydrophobicContact CD1-CG1 4.44Å; L322-V324 HydrophobicContact CD1-CG1 4Å; L322-V324 HydrophobicContact CD2-CG1 4.43Å; L322-V324 HydrophobicContact CG-CG1 4.07Å; V324-C327 HydrophobicContact CB-CB 4.35Å; V324-C327 VanDerWaalsContact O-CB 3.3Å; V324-C327 WeakPolarHBondContact O-CB 3.36Å; V324-L329 HydrophobicContact CG2-CD2 4.14Å; V324-L337 HydrophobicContact CG2-CD1 4.05Å; V324-Y351 CarbonylContact C-O 3.48Å; V324-Y351 WeakPolarHBondContact CG2-O 3.49Å; V324-Y351 PolarHBondContact N-O 2.78Å; V324-I352 HydrophobicContact CG2-CG2 3.98Å; V324-N355 PolarHBondContact O-ND2 3.37Å
325Q93.7Very high96Very high11 Ų1139 Ų395%0.05119%0.188CC..THydrogen-bonded Turntrans-61.8146.8173.9-59.697-46.200111A297 F298 C327 Y351 W353 D380 Y401A297-Q325 CarbonylContact C-O 3.48Å; A297-Q325 VanDerWaalsContact CA-O 3.31Å; A297-Q325 WeakPolarHBondContact CA-O 3.41Å; A297-Q325 HydrophobicContact CB-CB 4.07Å; A297-Q325 VanDerWaalsContact CB-OE1 3.27Å; F298-Q325 PolarHBondContact N-O 3.26Å; Q325-C327 PolarHBondContact O-N 2.73Å; Q325-C327 VanDerWaalsContact O-N 3.17Å; Q325-C327 PolarHBondContact O-SG 3.48Å; Q325-Y351 PolarHBondContact N-O 3.02Å; Q325-W353 CarbonylContact C-O 3.49Å; Q325-W353 WeakPolarHBondContact CA-O 3.41Å; Q325-W353 WeakPolarHBondContact CB-O 3.03Å; Q325-W353 HydrophobicContact CG-CB 4.43Å; Q325-D380 WeakPolarHBondContact CG-OD2 3.29Å; Q325-Y401 PolarHBondContact NE2-OH 3.41Å; Q325-Y401 PolarHBondContact OE1-OH 3.26Å
326F95.5Very high96.4Very high95 Ų9531.1 Ų31.142%0.41716%0.161SC..THydrogen-bonded Turntrans48.643.8176.1-60.4-86.1000113.5F298 W353 G354F298-F326 HydrophobicContact CD1-CB 3.66Å; F298-F326 AromaticContact CD1-CD2 3.85Å; F298-F326 HydrophobicContact CD1-CD2 3.85Å; F298-F326 AromaticContact CD1-CG 3.88Å; F298-F326 HydrophobicContact CD1-CG 3.88Å; F298-F326 HydrophobicContact CE1-CB 3.94Å; F298-F326 HydrophobicContact CE1-CD1 4.45Å; F298-F326 AromaticContact CE1-CD2 3.19Å; F298-F326 HydrophobicContact CE1-CD2 3.19Å; F298-F326 AromaticContact CE1-CE2 3.74Å; F298-F326 HydrophobicContact CE1-CE2 3.74Å; F298-F326 AromaticContact CE1-CG 3.62Å; F298-F326 HydrophobicContact CE1-CG 3.62Å; F298-F326 HydrophobicContact CE2-CD2 4.24Å; F298-F326 HydrophobicContact CG-CB 4.23Å; F298-F326 AromaticContact CZ-CD2 3.43Å; F298-F326 HydrophobicContact CZ-CD2 3.43Å; F298-F326 VanDerWaalsContact CZ-CD2 3.43Å; F298-F326 AromaticContact CZ-CE2 3.8Å; F298-F326 HydrophobicContact CZ-CE2 3.8Å; F298-F326 HydrophobicContact CZ-CG 4.29Å; F326-W353 PolarHBondContact N-O 3.47Å; F326-G354 VanDerWaalsContact CE1-CA 3.49Å
327C97.9Very high96.5Very high0 Ų030.8 Ų30.80%016%0.159CC..SBendtrans-107.815.9-174.1-81.30000114L296 N299 V301 Q302 V324 Q325 L329 N355L296-C327 PolarHBondContact O-SG 2.89Å; N299-C327 VanDerWaalsContact O-CA 3.3Å; N299-C327 WeakPolarHBondContact O-CA 3.47Å; V301-C327 HydrophobicContact CB-CB 4Å; V301-C327 HydrophobicContact CG2-CB 4.06Å; V301-C327 PolarHBondContact N-O 2.96Å; Q302-C327 PolarHBondContact N-O 3.39Å; V324-C327 HydrophobicContact CB-CB 4.35Å; V324-C327 VanDerWaalsContact O-CB 3.3Å; V324-C327 WeakPolarHBondContact O-CB 3.36Å; Q325-C327 PolarHBondContact O-N 2.73Å; Q325-C327 VanDerWaalsContact O-N 3.17Å; Q325-C327 PolarHBondContact O-SG 3.48Å; C327-L329 HydrophobicContact CB-CD1 3.31Å; C327-L329 VanDerWaalsContact O-CD1 3.31Å; C327-L329 WeakPolarHBondContact O-CD1 3.33Å; C327-L329 PolarHBondContact O-N 3.47Å; C327-N355 PolarHBondContact N-OD1 3.07Å
328E97.5Very high96.7Very high93 Ų9326.5 Ų26.544%0.43513%0.133SC..  trans58.730.8-174.5-58.2179-171.100113.4R300 Q302 N355R300-E328 WeakPolarHBondContact CD-OE1 3.44Å; R300-E328 WeakPolarHBondContact CG-OE1 3.27Å; R300-E328 IonicContact NE-OE1 2.8Å; R300-E328 PolarHBondContact NE-OE1 3.2Å; Q302-E328 WeakPolarHBondContact CA-O 3.37Å; Q302-E328 HydrophobicContact CG-CB 3.93Å; Q302-E328 PolarHBondContact NE2-OE2 3.07Å; E328-N355 PolarHBondContact N-OD1 3.09Å
329L98.3Very high96.8Very high1 Ų129.7 Ų29.71%0.00515%0.148CC..  trans-76.3143.3173.1-76.460.5000110.1V301 A306 V324 C327 L334 L337 N355 E356V301-L329 HydrophobicContact CB-CD1 4.14Å; V301-L329 HydrophobicContact CG1-CD1 4.37Å; A306-L329 HydrophobicContact CB-CD1 4.44Å; A306-L329 HydrophobicContact CB-CD2 3.65Å; A306-L329 HydrophobicContact CB-CG 3.79Å; V324-L329 HydrophobicContact CG2-CD2 4.14Å; C327-L329 HydrophobicContact CB-CD1 3.31Å; C327-L329 VanDerWaalsContact O-CD1 3.31Å; C327-L329 WeakPolarHBondContact O-CD1 3.33Å; C327-L329 PolarHBondContact O-N 3.47Å; L329-L334 HydrophobicContact CB-CD2 4Å; L329-L334 HydrophobicContact CB-CG 3.96Å; L329-L334 HydrophobicContact CD2-CD2 3.73Å; L329-L334 HydrophobicContact CD2-CG 4.36Å; L329-L337 HydrophobicContact CD2-CD1 3.6Å; L329-N355 HydrophobicContact CB-CB 3.98Å; L329-N355 PolarHBondContact N-OD1 3.39Å; L329-N355 WeakPolarHBondContact O-CB 3.45Å; L329-E356 PolarHBondContact O-N 3.43Å
330K98Very high97Very high97 Ų9729.9 Ų29.942%0.42215%0.149SC..  trans-119.2-175.2170.8-52.6-175.9172.7-105.70110.5C303 G333 L334 E356C303-K330 PolarHBondContact SG-N 3.38Å; K330-G333 PolarHBondContact O-N 2.96Å; K330-G333 VanDerWaalsContact O-N 3.08Å; K330-L334 PolarHBondContact O-N 3.39Å; K330-L334 VanDerWaalsContact O-N 3.07Å; K330-E356 WeakPolarHBondContact CE-OE2 3.42Å; K330-E356 HydrophobicContact CG-CB 4.26Å; K330-E356 WeakPolarHBondContact CG-OE2 3.21Å; K330-E356 IonicContact NZ-OE1 2.77Å; K330-E356 IonicContact NZ-OE2 3.05Å; K330-E356 PolarHBondContact NZ-OE2 3.09Å
331G97.6Very high97.2Very high1 Ų126.9 Ų26.91%0.0114%0.137CC..Hα-helixtrans-42.1-56-177.600000114.2G333 L334 C335 E358G331-G333 PolarHBondContact O-N 2.95Å; G331-L334 PolarHBondContact O-N 3.04Å; G331-C335 WeakPolarHBondContact O-CB 3.38Å; G331-C335 PolarHBondContact O-N 3.32Å; G331-C335 PolarHBondContact O-SG 3.4Å; G331-E358 PolarHBondContact N-OE1 3.04Å
332P98.2Very high97.3Very high67 Ų6731.5 Ų31.544%0.43516%0.16SC..Hα-helixtrans-61.3-38.8-177.5-26.935.7000114.9M307 A336M307-P332 HydrophobicContact CE-CB 3.35Å; P332-A336 WeakPolarHBondContact O-CB 3.39Å; P332-A336 PolarHBondContact O-N 3.43Å; P332-A336 VanDerWaalsContact O-N 3.15Å
333G98.6Very high97.3Very high0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-71.8-41.1179.300000112.3K330 G331 A336 L337K330-G333 PolarHBondContact O-N 2.96Å; K330-G333 VanDerWaalsContact O-N 3.08Å; G331-G333 PolarHBondContact O-N 2.95Å; G333-A336 PolarHBondContact O-N 2.97Å; G333-L337 PolarHBondContact O-N 3.27Å; G333-L337 VanDerWaalsContact O-N 3.17Å
334L98.8Very high97.4Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-68-41.7176.6-69171.6000112L329 K330 G331 A336 L337 A338 I352 N355 E356 A361 F365L329-L334 HydrophobicContact CB-CD2 4Å; L329-L334 HydrophobicContact CB-CG 3.96Å; L329-L334 HydrophobicContact CD2-CD2 3.73Å; L329-L334 HydrophobicContact CD2-CG 4.36Å; K330-L334 PolarHBondContact O-N 3.39Å; K330-L334 VanDerWaalsContact O-N 3.07Å; G331-L334 PolarHBondContact O-N 3.04Å; L334-A336 VanDerWaalsContact C-N 3.33Å; L334-A336 PolarHBondContact O-N 3.24Å; L334-L337 PolarHBondContact O-N 3.09Å; L334-A338 WeakPolarHBondContact O-CB 3.4Å; L334-A338 PolarHBondContact O-N 3.28Å; L334-I352 HydrophobicContact CD2-CB 4.05Å; L334-I352 HydrophobicContact CD2-CD1 3.89Å; L334-I352 HydrophobicContact CD2-CG2 4.28Å; L334-N355 HydrophobicContact CD1-CB 4.27Å; L334-N355 HydrophobicContact CD2-CB 4.4Å; L334-E356 WeakPolarHBondContact CD1-O 3.43Å; L334-A361 HydrophobicContact CB-CB 3.62Å; L334-A361 HydrophobicContact CD1-CB 3.85Å; L334-A361 HydrophobicContact CG-CB 4.4Å; L334-F365 HydrophobicContact CB-CE2 4.13Å; L334-F365 HydrophobicContact CD2-CE2 4.39Å; L334-F365 WeakPolarHBondContact O-CE2 3.41Å
335C98.7Very high97.2Very high33 Ų3342.5 Ų42.522%0.22322%0.221CC..Hα-helixtrans-61.8-42.1175.9-68.50000111.4G331 L337 A338 E339G331-C335 WeakPolarHBondContact O-CB 3.38Å; G331-C335 PolarHBondContact O-N 3.32Å; G331-C335 PolarHBondContact O-SG 3.4Å; C335-L337 PolarHBondContact O-N 3.11Å; C335-A338 PolarHBondContact O-N 2.82Å; C335-E339 WeakPolarHBondContact O-CB 3.5Å; C335-E339 PolarHBondContact O-N 2.87Å
336A98.6Very high97.3Very high19 Ų1943.7 Ų43.716%0.15723%0.229CC..Hα-helixtrans-61.3-44.5176.600000111.9M307 A310 P332 G333 L334 E339 S340M307-A336 HydrophobicContact CB-CB 4.5Å; M307-A336 HydrophobicContact CG-CB 3.84Å; A310-A336 VanDerWaalsContact CB-C 3.47Å; A310-A336 HydrophobicContact CB-CB 3.88Å; A310-A336 VanDerWaalsContact CB-O 3.31Å; A310-A336 WeakPolarHBondContact CB-O 3.38Å; P332-A336 WeakPolarHBondContact O-CB 3.39Å; P332-A336 PolarHBondContact O-N 3.43Å; P332-A336 VanDerWaalsContact O-N 3.15Å; G333-A336 PolarHBondContact O-N 2.97Å; L334-A336 VanDerWaalsContact C-N 3.33Å; L334-A336 PolarHBondContact O-N 3.24Å; A336-E339 PolarHBondContact O-N 3.01Å; A336-S340 PolarHBondContact O-N 3.33Å
337L98.7Very high97.2Very high0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-59.7-50173.9-71.4171.3000110.7A306 L309 A310 L313 L322 V324 L329 G333 L334 C335 E339 S340 L341 I350A306-L337 HydrophobicContact CB-CD1 4.12Å; A306-L337 HydrophobicContact CB-CG 4.33Å; L309-L337 HydrophobicContact CB-CD2 4.32Å; A310-L337 HydrophobicContact CB-CD2 4.17Å; L313-L337 HydrophobicContact CD1-CD2 4.13Å; L322-L337 HydrophobicContact CD2-CD2 4.05Å; V324-L337 HydrophobicContact CG2-CD1 4.05Å; L329-L337 HydrophobicContact CD2-CD1 3.6Å; G333-L337 PolarHBondContact O-N 3.27Å; G333-L337 VanDerWaalsContact O-N 3.17Å; L334-L337 PolarHBondContact O-N 3.09Å; C335-L337 PolarHBondContact O-N 3.11Å; L337-E339 VanDerWaalsContact C-N 3.32Å; L337-E339 PolarHBondContact O-N 3.12Å; L337-S340 PolarHBondContact O-N 3.42Å; L337-S340 VanDerWaalsContact O-N 3.13Å; L337-S340 PolarHBondContact O-OG 3.22Å; L337-L341 WeakPolarHBondContact O-CD1 3.5Å; L337-L341 PolarHBondContact O-N 3.37Å; L337-I350 HydrophobicContact CB-CD1 4.16Å; L337-I350 HydrophobicContact CD1-CD1 4.37Å
338A98.5Very high97Very high2 Ų243.8 Ų43.82%0.01723%0.231CC..Hα-helixtrans-59-42.1179.100000112.8L334 C335 S340 L341 A364 F365 L368L334-A338 WeakPolarHBondContact O-CB 3.4Å; L334-A338 PolarHBondContact O-N 3.28Å; C335-A338 PolarHBondContact O-N 2.82Å; A338-S340 VanDerWaalsContact C-N 3.34Å; A338-S340 PolarHBondContact O-N 3.13Å; A338-L341 PolarHBondContact O-N 2.79Å; A338-A364 HydrophobicContact CB-CB 3.69Å; A338-F365 HydrophobicContact CB-CD2 4.04Å; A338-F365 HydrophobicContact CB-CE2 3.8Å; A338-F365 HydrophobicContact CB-CZ 4.08Å; A338-L368 HydrophobicContact CB-CD1 3.78Å
339E98.1Very high96.8Very high138 Ų13839.5 Ų39.565%0.64521%0.212SC*.Hα-helixtrans-62.8-39.8176.4-174.2173.1-168.100111.6C335 A336 L337 L341 I342C335-E339 WeakPolarHBondContact O-CB 3.5Å; C335-E339 PolarHBondContact O-N 2.87Å; A336-E339 PolarHBondContact O-N 3.01Å; L337-E339 VanDerWaalsContact C-N 3.32Å; L337-E339 PolarHBondContact O-N 3.12Å; E339-L341 VanDerWaalsContact C-N 3.27Å; E339-L341 PolarHBondContact O-N 3.01Å; E339-I342 WeakPolarHBondContact O-CB 3.46Å; E339-I342 PolarHBondContact O-N 3.01Å; E339-I342 VanDerWaalsContact O-N 3.1Å
340S98Very high96.6Very high4 Ų439.5 Ų39.53%0.02821%0.211CC..Hα-helixtrans-62.2-32.2175.8750000113.1A310 A336 L337 A338 I342 T343 N344A310-S340 WeakPolarHBondContact O-CB 3.4Å; A336-S340 PolarHBondContact O-N 3.33Å; L337-S340 PolarHBondContact O-N 3.42Å; L337-S340 VanDerWaalsContact O-N 3.13Å; L337-S340 PolarHBondContact O-OG 3.22Å; A338-S340 VanDerWaalsContact C-N 3.34Å; A338-S340 PolarHBondContact O-N 3.13Å; S340-I342 VanDerWaalsContact C-N 3.27Å; S340-I342 PolarHBondContact O-N 3.21Å; S340-T343 PolarHBondContact O-N 3.3Å; S340-T343 PolarHBondContact O-OG1 3.39Å; S340-N344 WeakPolarHBondContact O-CB 3.28Å; S340-N344 PolarHBondContact O-N 2.89Å
341L97.8Very high96.4Very high1 Ų134.9 Ų34.91%0.00519%0.191CC..Hα-helixtrans-71.1-19.2176.6-8578.3000113.2L337 A338 E339 T343 N344 L347 I350 L368 R373 L374L337-L341 WeakPolarHBondContact O-CD1 3.5Å; L337-L341 PolarHBondContact O-N 3.37Å; A338-L341 PolarHBondContact O-N 2.79Å; E339-L341 VanDerWaalsContact C-N 3.27Å; E339-L341 PolarHBondContact O-N 3.01Å; L341-T343 VanDerWaalsContact C-N 3.3Å; L341-N344 VanDerWaalsContact O-O 3.07Å; L341-L347 HydrophobicContact CD1-CD2 3.73Å; L341-L347 HydrophobicContact CG-CD2 4.13Å; L341-I350 HydrophobicContact CD1-CD1 4.05Å; L341-I350 HydrophobicContact CD2-CG2 3.87Å; L341-L368 HydrophobicContact CB-CD1 3.99Å; L341-L368 HydrophobicContact CB-CD2 4.1Å; L341-L368 HydrophobicContact CD2-CD1 4.14Å; L341-R373 WeakPolarHBondContact O-CD 3.23Å; L341-R373 WeakPolarHBondContact O-CG 3.38Å; L341-R373 PolarHBondContact O-NE 2.82Å; L341-L374 HydrophobicContact CD2-CD1 4.45Å
342I96.4Very high96.3Very high99 Ų9934.8 Ų34.851%0.50819%0.191SC..Hα-helixtrans-65.9-38.5176.9-60.4175.6000110E339 S340 L368E339-I342 WeakPolarHBondContact O-CB 3.46Å; E339-I342 PolarHBondContact O-N 3.01Å; E339-I342 VanDerWaalsContact O-N 3.1Å; S340-I342 VanDerWaalsContact C-N 3.27Å; S340-I342 PolarHBondContact O-N 3.21Å; I342-L368 HydrophobicContact CG1-CD2 3.91Å
343T93.6Very high96.1Very high89 Ų8935 Ų3555%0.54618%0.183SC..Hα-helixtrans-100-36-178.154.70000112.9S340 L341 L345S340-T343 PolarHBondContact O-N 3.3Å; S340-T343 PolarHBondContact O-OG1 3.39Å; L341-T343 VanDerWaalsContact C-N 3.3Å; T343-L345 PolarHBondContact O-N 3.48Å
344N95.9Very high95.9Very high5 Ų536.3 Ų36.33%0.02720%0.197CC..  trans-74.1120.9174.9-179.6-70.9000109.9L313 N316 S340 L341 T346 L347 R373L313-N344 PolarHBondContact O-ND2 2.82Å; N316-N344 PolarHBondContact O-ND2 3.34Å; S340-N344 WeakPolarHBondContact O-CB 3.28Å; S340-N344 PolarHBondContact O-N 2.89Å; L341-N344 VanDerWaalsContact O-O 3.07Å; N344-T346 PolarHBondContact OD1-N 2.82Å; N344-L347 WeakPolarHBondContact OD1-CB 3.44Å; N344-L347 PolarHBondContact OD1-N 3.1Å; N344-R373 PolarHBondContact O-NE 3.18Å; N344-R373 PolarHBondContact O-NH2 2.81Å
345L93Very high95.8Very high137 Ų13737.2 Ų37.272%0.71720%0.202SC*.SBendtrans-100.9-2.7178.5-59.6-178.5000113.8T343T343-L345 PolarHBondContact O-N 3.48Å
346T95.2Very high95.8Very high36 Ų3640.2 Ų40.222%0.22121%0.213CC..SBendtrans-91.9-35.4-177.2-56.60000113.4T317 K320 N344 E348T317-T346 VanDerWaalsContact C-CG2 3.48Å; T317-T346 WeakPolarHBondContact CA-OG1 3.21Å; K320-T346 HydrophobicContact CG-CG2 4.41Å; N344-T346 PolarHBondContact OD1-N 2.82Å; T346-E348 PolarHBondContact O-N 2.54Å
347L94.8Very high95.5Very high0 Ų041.3 Ų41.30%021%0.214CC..  trans-70.3107.1179.7-170.272.3000109L313 L319 L322 L341 N344 I350 R373L313-L347 HydrophobicContact CD1-CD2 3.96Å; L313-L347 HydrophobicContact CD2-CD1 4.4Å; L313-L347 HydrophobicContact CD2-CD2 4.19Å; L319-L347 HydrophobicContact CD2-CD1 4.21Å; L319-L347 HydrophobicContact CG-CD1 4.26Å; L319-L347 VanDerWaalsContact O-CA 3.31Å; L319-L347 WeakPolarHBondContact O-CA 3.46Å; L319-L347 WeakPolarHBondContact O-CD1 3.29Å; L319-L347 PolarHBondContact O-N 3.16Å; L322-L347 HydrophobicContact CB-CD1 3.91Å; L322-L347 HydrophobicContact CB-CD2 4.38Å; L341-L347 HydrophobicContact CD1-CD2 3.73Å; L341-L347 HydrophobicContact CG-CD2 4.13Å; N344-L347 WeakPolarHBondContact OD1-CB 3.44Å; N344-L347 PolarHBondContact OD1-N 3.1Å; L347-I350 HydrophobicContact CD2-CB 4.44Å; L347-I350 HydrophobicContact CD2-CD1 4.38Å; L347-R373 PolarHBondContact O-NH1 3.45Å; L347-R373 PolarHBondContact O-NH2 3.4Å
348E92.7Very high95.4Very high97 Ų9744.8 Ų44.845%0.45323%0.23SC..  trans-88.7-44.3-176-70.4168.6-155.800111K320 T346 C378K320-E348 PolarHBondContact O-N 3.14Å; T346-E348 PolarHBondContact O-N 2.54Å; E348-C378 VanDerWaalsContact O-CB 3.25Å; E348-C378 WeakPolarHBondContact O-CB 3.5Å
349C92.7Very high95.3Very high4 Ų449.5 Ų49.53%0.02725%0.252CS..EExtended strand (participates in β ladder)trans-117.5133.2-175.8-55.20000112.3K320 V321 L322 Y351 C378 T400K320-C349 PolarHBondContact O-N 3.19Å; V321-C349 WeakPolarHBondContact CA-O 3.45Å; V321-C349 HydrophobicContact CB-CB 4.38Å; V321-C349 HydrophobicContact CG1-CB 4.1Å; V321-C349 HydrophobicContact CG2-CB 4.03Å; L322-C349 PolarHBondContact N-O 2.76Å; C349-Y351 HydrophobicContact CB-CE2 3.73Å; C349-C378 CarbonylContact C-O 3.55Å; C349-C378 WeakPolarHBondContact CA-O 3.45Å; C349-C378 HydrophobicContact CB-CB 4.21Å; C349-C378 WeakPolarHBondContact CB-O 3.26Å; C349-C378 VanDerWaalsContact SG-CB 3.59Å; C349-T400 PolarHBondContact SG-OG1 3.26Å
350I94.7Very high95.2Very high0 Ų045.7 Ų45.70%024%0.241CC..EExtended strand (participates in β ladder)trans-137.6131.3172-166.9173.2000111L322 L337 L341 L347 I352 F365 L374 C378 T379L322-I350 WeakPolarHBondContact O-CA 3.39Å; L337-I350 HydrophobicContact CB-CD1 4.16Å; L337-I350 HydrophobicContact CD1-CD1 4.37Å; L341-I350 HydrophobicContact CD1-CD1 4.05Å; L341-I350 HydrophobicContact CD2-CG2 3.87Å; L347-I350 HydrophobicContact CD2-CB 4.44Å; L347-I350 HydrophobicContact CD2-CD1 4.38Å; I350-I352 HydrophobicContact CD1-CG2 4.14Å; I350-I352 HydrophobicContact CG1-CG2 3.89Å; I350-F365 HydrophobicContact CD1-CE1 4.49Å; I350-F365 HydrophobicContact CD1-CZ 4.45Å; I350-F365 HydrophobicContact CG2-CE1 3.94Å; I350-L374 HydrophobicContact CG2-CD1 3.9Å; I350-L374 HydrophobicContact CG2-CD2 3.82Å; I350-C378 PolarHBondContact N-O 3.13Å; I350-T379 VanDerWaalsContact O-CA 3.3Å; I350-T379 WeakPolarHBondContact O-CA 3.5Å; I350-T379 VanDerWaalsContact O-CB 3.26Å; I350-T379 WeakPolarHBondContact O-CB 3.4Å; I350-T379 PolarHBondContact O-OG1 2.97Å
351Y93.7Very high95.3Very high0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-119.7121.7-177.4-56-79.8000110.9V321 L322 A323 V324 Q325 C349 D380 C399 T400 Y401V321-Y351 HydrophobicContact CG1-CD2 4.28Å; V321-Y351 HydrophobicContact CG1-CE2 3.85Å; L322-Y351 PolarHBondContact O-N 3.41Å; A323-Y351 HydrophobicContact CB-CD2 4.29Å; V324-Y351 CarbonylContact C-O 3.48Å; V324-Y351 WeakPolarHBondContact CG2-O 3.49Å; V324-Y351 PolarHBondContact N-O 2.78Å; Q325-Y351 PolarHBondContact N-O 3.02Å; C349-Y351 HydrophobicContact CB-CE2 3.73Å; Y351-D380 WeakPolarHBondContact CA-OD1 3.5Å; Y351-D380 HydrophobicContact CD1-CB 3.86Å; Y351-C399 HydrophobicContact CE1-CB 3.56Å; Y351-C399 WeakPolarHBondContact OH-CB 3.5Å; Y351-T400 PolarHBondContact OH-OG1 2.91Å; Y351-Y401 HydrophobicContact CD1-CG 4.35Å; Y351-Y401 AromaticContact CD2-CD2 3.58Å; Y351-Y401 HydrophobicContact CD2-CD2 3.58Å; Y351-Y401 HydrophobicContact CD2-CE2 4.28Å; Y351-Y401 AromaticContact CD2-CG 3.92Å; Y351-Y401 HydrophobicContact CD2-CG 3.92Å; Y351-Y401 HydrophobicContact CE1-CG 4.34Å; Y351-Y401 AromaticContact CE2-CD2 3.76Å; Y351-Y401 HydrophobicContact CE2-CD2 3.76Å; Y351-Y401 AromaticContact CE2-CG 3.9Å; Y351-Y401 HydrophobicContact CE2-CG 3.9Å; Y351-Y401 HydrophobicContact CG-CD2 4.14Å; Y351-Y401 HydrophobicContact CG-CG 4.15Å; Y351-Y401 PolarHBondContact OH-N 3.45Å
352I96Very high95.3Very high0 Ų045.7 Ų45.70%024%0.241CC..  trans-135.15-166.968.7150.3000113.9V324 L334 I350 N355 H357 F365 D380 I381 L392V324-I352 HydrophobicContact CG2-CG2 3.98Å; L334-I352 HydrophobicContact CD2-CB 4.05Å; L334-I352 HydrophobicContact CD2-CD1 3.89Å; L334-I352 HydrophobicContact CD2-CG2 4.28Å; I350-I352 HydrophobicContact CD1-CG2 4.14Å; I350-I352 HydrophobicContact CG1-CG2 3.89Å; I352-N355 PolarHBondContact O-ND2 3.37Å; I352-H357 PolarHBondContact O-NE2 2.81Å; I352-H357 VanDerWaalsContact O-NE2 3.07Å; I352-F365 HydrophobicContact CD1-CD1 4.15Å; I352-F365 HydrophobicContact CD1-CD2 3.73Å; I352-F365 HydrophobicContact CD1-CE1 4Å; I352-F365 HydrophobicContact CD1-CE2 3.57Å; I352-F365 HydrophobicContact CD1-CG 4.03Å; I352-F365 HydrophobicContact CD1-CZ 3.72Å; I352-F365 HydrophobicContact CG1-CE1 4.48Å; I352-F365 HydrophobicContact CG1-CZ 4.45Å; I352-F365 HydrophobicContact CG2-CE1 4.28Å; I352-F365 HydrophobicContact CG2-CZ 3.98Å; I352-D380 PolarHBondContact N-OD1 3.16Å; I352-D380 PolarHBondContact N-OD2 3.25Å; I352-I381 HydrophobicContact CD1-CD1 4.05Å; I352-I381 HydrophobicContact CD1-CG2 4.34Å; I352-I381 HydrophobicContact CG1-CD1 4.22Å; I352-I381 HydrophobicContact CG1-CG1 4.44Å; I352-I381 HydrophobicContact CG1-CG2 3.94Å; I352-L392 HydrophobicContact CD1-CD1 4.34Å
353W94.6Very high95.4Very high70 Ų7044.1 Ų44.127%0.26523%0.234SC..THydrogen-bonded Turntrans-59.6151.9-179-172.9-102.8000112.1Q325 F326 N355 H357 D380 I381 F394Q325-W353 CarbonylContact C-O 3.49Å; Q325-W353 WeakPolarHBondContact CA-O 3.41Å; Q325-W353 WeakPolarHBondContact CB-O 3.03Å; Q325-W353 HydrophobicContact CG-CB 4.43Å; F326-W353 PolarHBondContact N-O 3.47Å; W353-N355 VanDerWaalsContact C-N 3.29Å; W353-N355 PolarHBondContact O-N 3.11Å; W353-H357 AromaticContact CE3-CE1 3.73Å; W353-H357 AromaticContact CZ3-CE1 3.94Å; W353-D380 HydrophobicContact CB-CB 4.18Å; W353-D380 VanDerWaalsContact CB-CG 3.45Å; W353-D380 WeakPolarHBondContact CB-OD2 3.49Å; W353-D380 PolarHBondContact N-OD1 3.14Å; W353-D380 VanDerWaalsContact N-OD1 3.15Å; W353-D380 PolarHBondContact N-OD2 3.39Å; W353-I381 HydrophobicContact CE3-CG2 3.96Å; W353-F394 HydrophobicContact CB-CD2 4Å; W353-F394 HydrophobicContact CB-CE2 4.3Å; W353-F394 AromaticContact CD1-CD2 3.59Å; W353-F394 AromaticContact CD1-CE2 3.96Å; W353-F394 HydrophobicContact CD2-CB 3.7Å; W353-F394 AromaticContact CD2-CD2 3.57Å; W353-F394 HydrophobicContact CD2-CD2 3.57Å; W353-F394 AromaticContact CD2-CG 3.95Å; W353-F394 HydrophobicContact CD2-CG 3.95Å; W353-F394 AromaticContact CE2-CD2 3.93Å; W353-F394 AromaticContact CE2-CG 3.87Å; W353-F394 HydrophobicContact CE3-CB 3.87Å; W353-F394 HydrophobicContact CE3-CD2 4.18Å; W353-F394 HydrophobicContact CE3-CG 4.48Å; W353-F394 HydrophobicContact CG-CB 4.44Å; W353-F394 AromaticContact CG-CD2 3.41Å; W353-F394 HydrophobicContact CG-CD2 3.41Å; W353-F394 VanDerWaalsContact CG-CD2 3.41Å; W353-F394 AromaticContact CG-CE2 3.99Å; W353-F394 HydrophobicContact CG-CE2 3.99Å; W353-F394 HydrophobicContact CG-CG 4.18Å; W353-F394 HydrophobicContact CH2-CB 3.77Å; W353-F394 HydrophobicContact CZ2-CB 3.55Å; W353-F394 HydrophobicContact CZ2-CG 4.38Å; W353-F394 HydrophobicContact CZ3-CB 3.93Å; W353-F394 AromaticContact NE1-CD2 3.86Å; W353-F394 AromaticContact NE1-CG 3.93Å
354G93.9Very high95.6Very high29 Ų2941.2 Ų41.230%0.29922%0.219SC..THydrogen-bonded Turntrans78.89.2179.200000115F326F326-G354 VanDerWaalsContact CE1-CA 3.49Å
355N97.5Very high95.7Very high19 Ų1941 Ų4110%0.10222%0.217CC..SBendtrans-96.9173.8167.2-67.4-64.5000111.3V324 C327 E328 L329 L334 I352 W353 H357V324-N355 PolarHBondContact O-ND2 3.37Å; C327-N355 PolarHBondContact N-OD1 3.07Å; E328-N355 PolarHBondContact N-OD1 3.09Å; L329-N355 HydrophobicContact CB-CB 3.98Å; L329-N355 PolarHBondContact N-OD1 3.39Å; L329-N355 WeakPolarHBondContact O-CB 3.45Å; L334-N355 HydrophobicContact CD1-CB 4.27Å; L334-N355 HydrophobicContact CD2-CB 4.4Å; I352-N355 PolarHBondContact O-ND2 3.37Å; W353-N355 VanDerWaalsContact C-N 3.29Å; W353-N355 PolarHBondContact O-N 3.11Å; N355-H357 PolarHBondContact O-CD2 3.4Å; N355-H357 PolarHBondContact O-N 3.03Å
356E96.6Very high96Very high96 Ų9635.2 Ų35.245%0.44919%0.189SC..  trans-8497.3178.4-171.4174.8175.600110.6L329 K330 L334 E358L329-E356 PolarHBondContact O-N 3.43Å; K330-E356 WeakPolarHBondContact CE-OE2 3.42Å; K330-E356 HydrophobicContact CG-CB 4.26Å; K330-E356 WeakPolarHBondContact CG-OE2 3.21Å; K330-E356 IonicContact NZ-OE1 2.77Å; K330-E356 IonicContact NZ-OE2 3.05Å; K330-E356 PolarHBondContact NZ-OE2 3.09Å; L334-E356 WeakPolarHBondContact CD1-O 3.43Å; E356-E358 PolarHBondContact O-N 3.46Å; E356-E358 VanDerWaalsContact O-N 3.1Å
357H94Very high96.1Very high41 Ų4137.2 Ų37.219%0.1920%0.198CC..  trans-83.377.8-178.2-54.3160.8000111.3I352 W353 N355 C362 L392I352-H357 PolarHBondContact O-NE2 2.81Å; I352-H357 VanDerWaalsContact O-NE2 3.07Å; W353-H357 AromaticContact CE3-CE1 3.73Å; W353-H357 AromaticContact CZ3-CE1 3.94Å; N355-H357 PolarHBondContact O-CD2 3.4Å; N355-H357 PolarHBondContact O-N 3.03Å; H357-C362 PolarHBondContact O-SG 3.39Å; H357-C362 VanDerWaalsContact O-SG 3.34Å; H357-L392 HydrophobicContact CB-CD1 4.48Å
358E95Very high96.3Very high73 Ų7337.3 Ų37.334%0.34120%0.199SC..  trans-59.5159.1169.7-67.6170.8-141.100111.5G331 E356 S360 A361 C362G331-E358 PolarHBondContact N-OE1 3.04Å; E356-E358 PolarHBondContact O-N 3.46Å; E356-E358 VanDerWaalsContact O-N 3.1Å; E358-S360 PolarHBondContact O-N 3.25Å; E358-S360 VanDerWaalsContact O-N 3.13Å; E358-A361 WeakPolarHBondContact O-CB 3.41Å; E358-A361 PolarHBondContact O-N 3.17Å; E358-C362 PolarHBondContact O-N 3.31Å
359E96.7Very high96.5Very high102 Ų10233.6 Ų33.648%0.47718%0.182SC..Hα-helixtrans-53.8-37.9-176.4-177.1172.4-178.900113.2C362 N363E359-C362 PolarHBondContact O-N 3.19Å; E359-N363 WeakPolarHBondContact O-CB 3.47Å; E359-N363 PolarHBondContact O-N 2.65Å; E359-N363 PolarHBondContact O-ND2 3.27Å; E359-N363 VanDerWaalsContact O-ND2 3.09Å
360S97.4Very high96.7Very high57 Ų5742.5 Ų42.540%0.39922%0.216SC..Hα-helixtrans-62.2-45175.552.80000112.7E358 N363 A364E358-S360 PolarHBondContact O-N 3.25Å; E358-S360 VanDerWaalsContact O-N 3.13Å; S360-N363 PolarHBondContact O-N 3.21Å; S360-A364 WeakPolarHBondContact O-CB 3.49Å; S360-A364 PolarHBondContact O-N 3.19Å
361A98.2Very high96.8Very high0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-67.4-41.5176.700000111.4L334 E358 N363 A364 F365L334-A361 HydrophobicContact CB-CB 3.62Å; L334-A361 HydrophobicContact CD1-CB 3.85Å; L334-A361 HydrophobicContact CG-CB 4.4Å; E358-A361 WeakPolarHBondContact O-CB 3.41Å; E358-A361 PolarHBondContact O-N 3.17Å; A361-N363 VanDerWaalsContact C-N 3.35Å; A361-N363 PolarHBondContact O-N 3.08Å; A361-A364 PolarHBondContact O-N 2.93Å; A361-F365 WeakPolarHBondContact O-CD2 3.48Å; A361-F365 PolarHBondContact O-N 3.43Å
362C98.6Very high97Very high5 Ų552.3 Ų52.33%0.03427%0.268CS..Hα-helixtrans-56.3-49.3174.1-70.90000111.4H357 E358 E359 A366 T390 L392H357-C362 PolarHBondContact O-SG 3.39Å; H357-C362 VanDerWaalsContact O-SG 3.34Å; E358-C362 PolarHBondContact O-N 3.31Å; E359-C362 PolarHBondContact O-N 3.19Å; C362-A366 WeakPolarHBondContact O-CB 3.48Å; C362-A366 PolarHBondContact O-N 3.13Å; C362-T390 HydrophobicContact CB-CG2 4.29Å; C362-T390 VanDerWaalsContact CB-O 3.29Å; C362-T390 WeakPolarHBondContact CB-O 3.11Å; C362-L392 HydrophobicContact CB-CG 4.19Å
363N98.4Very high97Very high67 Ų6754.6 Ų54.636%0.35828%0.277SS..Hα-helixtrans-63.1-41.6177.3-74.4-38.2000112.3E359 S360 A361 A366 N367 T390E359-N363 WeakPolarHBondContact O-CB 3.47Å; E359-N363 PolarHBondContact O-N 2.65Å; E359-N363 PolarHBondContact O-ND2 3.27Å; E359-N363 VanDerWaalsContact O-ND2 3.09Å; S360-N363 PolarHBondContact O-N 3.21Å; A361-N363 VanDerWaalsContact C-N 3.35Å; A361-N363 PolarHBondContact O-N 3.08Å; N363-A366 PolarHBondContact O-N 3.27Å; N363-N367 VanDerWaalsContact O-CB 3.29Å; N363-N367 WeakPolarHBondContact O-CB 3.27Å; N363-N367 PolarHBondContact O-N 3.4Å; N363-T390 WeakPolarHBondContact OD1-CB 3.31Å; N363-T390 PolarHBondContact OD1-OG1 3.16Å
364A98.4Very high97Very high28 Ų2851.3 Ų51.323%0.23126%0.264CS..Hα-helixtrans-62.3-50.2-179.300000112.1A338 S360 A361 N367 L368A338-A364 HydrophobicContact CB-CB 3.69Å; S360-A364 WeakPolarHBondContact O-CB 3.49Å; S360-A364 PolarHBondContact O-N 3.19Å; A361-A364 PolarHBondContact O-N 2.93Å; A364-N367 PolarHBondContact O-N 2.78Å; A364-L368 PolarHBondContact O-N 3.27Å; A364-L368 VanDerWaalsContact O-N 3.08Å
365F98.4Very high96.9Very high0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-71-36.1177.9-82-84.8000112.9L334 A338 I350 I352 A361 N367 L368 I369 L374 I381 L392L334-F365 HydrophobicContact CB-CE2 4.13Å; L334-F365 HydrophobicContact CD2-CE2 4.39Å; L334-F365 WeakPolarHBondContact O-CE2 3.41Å; A338-F365 HydrophobicContact CB-CD2 4.04Å; A338-F365 HydrophobicContact CB-CE2 3.8Å; A338-F365 HydrophobicContact CB-CZ 4.08Å; I350-F365 HydrophobicContact CD1-CE1 4.49Å; I350-F365 HydrophobicContact CD1-CZ 4.45Å; I350-F365 HydrophobicContact CG2-CE1 3.94Å; I352-F365 HydrophobicContact CD1-CD1 4.15Å; I352-F365 HydrophobicContact CD1-CD2 3.73Å; I352-F365 HydrophobicContact CD1-CE1 4Å; I352-F365 HydrophobicContact CD1-CE2 3.57Å; I352-F365 HydrophobicContact CD1-CG 4.03Å; I352-F365 HydrophobicContact CD1-CZ 3.72Å; I352-F365 HydrophobicContact CG1-CE1 4.48Å; I352-F365 HydrophobicContact CG1-CZ 4.45Å; I352-F365 HydrophobicContact CG2-CE1 4.28Å; I352-F365 HydrophobicContact CG2-CZ 3.98Å; A361-F365 WeakPolarHBondContact O-CD2 3.48Å; A361-F365 PolarHBondContact O-N 3.43Å; F365-N367 VanDerWaalsContact C-N 3.27Å; F365-N367 PolarHBondContact O-N 2.97Å; F365-L368 HydrophobicContact CD1-CD1 4.2Å; F365-L368 HydrophobicContact CE1-CD1 4.43Å; F365-L368 PolarHBondContact O-N 3.26Å; F365-I369 WeakPolarHBondContact O-CG1 3.3Å; F365-I369 PolarHBondContact O-N 2.88Å; F365-L374 HydrophobicContact CD1-CD2 3.91Å; F365-L374 HydrophobicContact CE1-CD2 4.32Å; F365-I381 HydrophobicContact CB-CD1 3.53Å; F365-I381 HydrophobicContact CD1-CD1 3.64Å; F365-I381 HydrophobicContact CG-CD1 3.72Å; F365-L392 HydrophobicContact CB-CD1 4.06Å; F365-L392 HydrophobicContact CB-CD2 4.4Å
366A98.3Very high96.5Very high16 Ų1656.6 Ų56.613%0.13228%0.283CS..Hα-helixtrans-60.6-39.6172.900000112C362 N363 I369 Y370 P383 T390C362-A366 WeakPolarHBondContact O-CB 3.48Å; C362-A366 PolarHBondContact O-N 3.13Å; N363-A366 PolarHBondContact O-N 3.27Å; A366-I369 PolarHBondContact O-N 3.05Å; A366-Y370 VanDerWaalsContact O-CB 3.28Å; A366-Y370 WeakPolarHBondContact O-CB 3.48Å; A366-Y370 PolarHBondContact O-N 3Å; A366-P383 HydrophobicContact CB-CB 3.67Å; A366-P383 HydrophobicContact CB-CG 3.71Å; A366-T390 HydrophobicContact CB-CG2 3.54Å
367N98.3Very high95.9Very high77 Ų7756.5 Ų56.541%0.41229%0.285SS..Hα-helixtrans-65.7-43.4175.1-174.851.9000111.9N363 A364 F365 I369 Y370 I371N363-N367 VanDerWaalsContact O-CB 3.29Å; N363-N367 WeakPolarHBondContact O-CB 3.27Å; N363-N367 PolarHBondContact O-N 3.4Å; A364-N367 PolarHBondContact O-N 2.78Å; F365-N367 VanDerWaalsContact C-N 3.27Å; F365-N367 PolarHBondContact O-N 2.97Å; N367-I369 VanDerWaalsContact C-N 3.26Å; N367-I369 PolarHBondContact O-N 3.44Å; N367-Y370 PolarHBondContact O-N 3.31Å; N367-I371 WeakPolarHBondContact O-CG1 3.36Å; N367-I371 WeakPolarHBondContact O-CG2 3.36Å; N367-I371 PolarHBondContact O-N 3.46Å
368L98.4Very high95.8Very high2 Ų255.2 Ų55.21%0.0128%0.281CS..Hα-helixtrans-57-40.6175.1-72.1175.2000112.3A338 L341 I342 A364 F365 N372 R373 L374A338-L368 HydrophobicContact CB-CD1 3.78Å; L341-L368 HydrophobicContact CB-CD1 3.99Å; L341-L368 HydrophobicContact CB-CD2 4.1Å; L341-L368 HydrophobicContact CD2-CD1 4.14Å; I342-L368 HydrophobicContact CG1-CD2 3.91Å; A364-L368 PolarHBondContact O-N 3.27Å; A364-L368 VanDerWaalsContact O-N 3.08Å; F365-L368 HydrophobicContact CD1-CD1 4.2Å; F365-L368 HydrophobicContact CE1-CD1 4.43Å; F365-L368 PolarHBondContact O-N 3.26Å; L368-N372 PolarHBondContact O-N 3.39Å; L368-R373 HydrophobicContact CD2-CB 4.02Å; L368-R373 HydrophobicContact CD2-CG 3.88Å; L368-R373 PolarHBondContact O-N 3.46Å; L368-L374 HydrophobicContact CB-CB 3.97Å; L368-L374 PolarHBondContact O-N 3.14Å
369I97.4Very high95.6Very high19 Ų1951.7 Ų51.710%0.09727%0.265CS..Hα-helixtrans-70.1-46.1176.6-66.7168.1000110.7F365 A366 N367 I371 N372 L374 E376 T379 I381 P383F365-I369 WeakPolarHBondContact O-CG1 3.3Å; F365-I369 PolarHBondContact O-N 2.88Å; A366-I369 PolarHBondContact O-N 3.05Å; N367-I369 VanDerWaalsContact C-N 3.26Å; N367-I369 PolarHBondContact O-N 3.44Å; I369-I371 VanDerWaalsContact C-N 3.31Å; I369-I371 PolarHBondContact O-N 3.19Å; I369-N372 PolarHBondContact O-N 3.17Å; I369-L374 WeakPolarHBondContact CA-O 3.13Å; I369-L374 HydrophobicContact CG1-CB 4.15Å; I369-L374 HydrophobicContact CG1-CD2 4.26Å; I369-L374 HydrophobicContact CG1-CG 4.27Å; I369-L374 WeakPolarHBondContact CG1-O 3.49Å; I369-E376 HydrophobicContact CG2-CG 4.19Å; I369-T379 HydrophobicContact CD1-CG2 4.33Å; I369-I381 HydrophobicContact CD1-CD1 4.35Å; I369-P383 HydrophobicContact CB-CG 4.34Å; I369-P383 HydrophobicContact CD1-CG 3.71Å
370Y97.5Very high95.4Very high191 Ų19147.1 Ų47.175%0.74924%0.243SC*.Hα-helixtrans-58-40.5179.1175.8-101.9000113A366 N367 N372A366-Y370 VanDerWaalsContact O-CB 3.28Å; A366-Y370 WeakPolarHBondContact O-CB 3.48Å; A366-Y370 PolarHBondContact O-N 3Å; N367-Y370 PolarHBondContact O-N 3.31Å; Y370-N372 PolarHBondContact O-N 3.49Å
371I96.8Very high95.2Very high83 Ų8344.4 Ų44.443%0.42622%0.224SC..THydrogen-bonded Turntrans-846.9177.773.2-176.5000113.4N367 I369 R373N367-I371 WeakPolarHBondContact O-CG1 3.36Å; N367-I371 WeakPolarHBondContact O-CG2 3.36Å; N367-I371 PolarHBondContact O-N 3.46Å; I369-I371 VanDerWaalsContact C-N 3.31Å; I369-I371 PolarHBondContact O-N 3.19Å; I371-R373 HydrophobicContact CD1-CB 4.12Å; I371-R373 HydrophobicContact CG1-CB 3.87Å; I371-R373 PolarHBondContact O-N 3.01Å
372N96.2Very high95.1Very high124 Ų12448.4 Ų48.466%0.66324%0.242SC*.THydrogen-bonded Turntrans57.624.9-175.7-57.2-67.1000114.6L368 I369 Y370L368-N372 PolarHBondContact O-N 3.39Å; I369-N372 PolarHBondContact O-N 3.17Å; Y370-N372 PolarHBondContact O-N 3.49Å
373R96.1Very high95Very high47 Ų4749.8 Ų49.818%0.17725%0.251CS..SBendtrans-75.2-38.1169.6178.758.1-160.698.8-3.1110.6L341 N344 L347 L368 I371L341-R373 WeakPolarHBondContact O-CD 3.23Å; L341-R373 WeakPolarHBondContact O-CG 3.38Å; L341-R373 PolarHBondContact O-NE 2.82Å; N344-R373 PolarHBondContact O-NE 3.18Å; N344-R373 PolarHBondContact O-NH2 2.81Å; L347-R373 PolarHBondContact O-NH1 3.45Å; L347-R373 PolarHBondContact O-NH2 3.4Å; L368-R373 HydrophobicContact CD2-CB 4.02Å; L368-R373 HydrophobicContact CD2-CG 3.88Å; L368-R373 PolarHBondContact O-N 3.46Å; I371-R373 HydrophobicContact CD1-CB 4.12Å; I371-R373 HydrophobicContact CG1-CB 3.87Å; I371-R373 PolarHBondContact O-N 3.01Å
374L95.2Very high95Very high1 Ų151.8 Ų51.81%0.00525%0.254CS..SBendtrans-114.9118.7174.3-178.161.4000109.2L341 I350 F365 L368 I369 C378 T379L341-L374 HydrophobicContact CD2-CD1 4.45Å; I350-L374 HydrophobicContact CG2-CD1 3.9Å; I350-L374 HydrophobicContact CG2-CD2 3.82Å; F365-L374 HydrophobicContact CD1-CD2 3.91Å; F365-L374 HydrophobicContact CE1-CD2 4.32Å; L368-L374 HydrophobicContact CB-CB 3.97Å; L368-L374 PolarHBondContact O-N 3.14Å; I369-L374 WeakPolarHBondContact CA-O 3.13Å; I369-L374 HydrophobicContact CG1-CB 4.15Å; I369-L374 HydrophobicContact CG1-CD2 4.26Å; I369-L374 HydrophobicContact CG1-CG 4.27Å; I369-L374 WeakPolarHBondContact CG1-O 3.49Å; L374-C378 HydrophobicContact CD1-CB 4.3Å; L374-T379 HydrophobicContact CD2-CG2 4.03Å; L374-T379 HydrophobicContact CG-CG2 4.15Å
375L92.1Very high94.9Very high82 Ų8256.6 Ų56.643%0.42928%0.275SS..  trans-81.5146.4178.4-54.9178.1000110.5N377 C378L375-N377 WeakPolarHBondContact CB-OD1 3.48Å; L375-N377 PolarHBondContact O-N 3.42Å; L375-N377 VanDerWaalsContact O-N 3.17Å; L375-C378 HydrophobicContact CB-CB 4.37Å; L375-C378 PolarHBondContact O-N 2.93Å
376E88.6Confident94.8Very high77 Ų7759.7 Ų59.736%0.3629%0.293SS..G310 helixtrans-58-29.9179-74.6-166.5-171.100112.5I369 C378 K382 L395 H397I369-E376 HydrophobicContact CG2-CG 4.19Å; E376-C378 VanDerWaalsContact C-N 3.28Å; E376-C378 PolarHBondContact O-N 3.2Å; E376-K382 IonicContact OE1-NZ 3.12Å; E376-K382 PolarHBondContact OE1-NZ 2.94Å; E376-K382 VanDerWaalsContact OE1-NZ 3.12Å; E376-K382 IonicContact OE2-NZ 2.78Å; E376-K382 PolarHBondContact OE2-NZ 2.85Å; E376-L395 HydrophobicContact CB-CD2 4.15Å; E376-L395 WeakPolarHBondContact O-CD2 3.45Å; E376-H397 PolarHBondContact O-NE2 3.46Å
377N84.9Confident94.7Very high94 Ų9466.6 Ų66.650%0.50333%0.328SS..G310 helixtrans-81.2-3176.867.7-35.6000114.2L375 H397L375-N377 WeakPolarHBondContact CB-OD1 3.48Å; L375-N377 PolarHBondContact O-N 3.42Å; L375-N377 VanDerWaalsContact O-N 3.17Å; N377-H397 PolarHBondContact O-CE1 3.48Å
378C90.3Very high94.6Very high14 Ų1466.4 Ų66.410%0.09534%0.344CS..G310 helixtrans-111.315.4-179.7-64.30000112.4E348 C349 I350 L374 L375 E376E348-C378 VanDerWaalsContact O-CB 3.25Å; E348-C378 WeakPolarHBondContact O-CB 3.5Å; C349-C378 CarbonylContact C-O 3.55Å; C349-C378 WeakPolarHBondContact CA-O 3.45Å; C349-C378 HydrophobicContact CB-CB 4.21Å; C349-C378 WeakPolarHBondContact CB-O 3.26Å; C349-C378 VanDerWaalsContact SG-CB 3.59Å; I350-C378 PolarHBondContact N-O 3.13Å; L374-C378 HydrophobicContact CD1-CB 4.3Å; L375-C378 HydrophobicContact CB-CB 4.37Å; L375-C378 PolarHBondContact O-N 2.93Å; E376-C378 VanDerWaalsContact C-N 3.28Å; E376-C378 PolarHBondContact O-N 3.2Å
379T91.8Very high94.5Very high0 Ų073.7 Ų73.70%037%0.371CS..BIsolated β-bridgetrans-151.5171.7179.7-1660000111.3I350 I369 L374 I381 H397I350-T379 VanDerWaalsContact O-CA 3.3Å; I350-T379 WeakPolarHBondContact O-CA 3.5Å; I350-T379 VanDerWaalsContact O-CB 3.26Å; I350-T379 WeakPolarHBondContact O-CB 3.4Å; I350-T379 PolarHBondContact O-OG1 2.97Å; I369-T379 HydrophobicContact CD1-CG2 4.33Å; L374-T379 HydrophobicContact CD2-CG2 4.03Å; L374-T379 HydrophobicContact CG-CG2 4.15Å; T379-I381 HydrophobicContact CG2-CG1 3.78Å; T379-I381 WeakPolarHBondContact CG2-O 3.49Å; T379-I381 VanDerWaalsContact OG1-CG1 3.28Å; T379-I381 WeakPolarHBondContact OG1-CG1 3.42Å; T379-H397 PolarHBondContact O-NE2 3.14Å
380D91.6Very high94.5Very high5 Ų574.1 Ų74.13%0.02738%0.375CS..SBendtrans-10916.3179.155.8-1.2000113.3Q325 Y351 I352 W353 F394 L395Q325-D380 WeakPolarHBondContact CG-OD2 3.29Å; Y351-D380 WeakPolarHBondContact CA-OD1 3.5Å; Y351-D380 HydrophobicContact CD1-CB 3.86Å; I352-D380 PolarHBondContact N-OD1 3.16Å; I352-D380 PolarHBondContact N-OD2 3.25Å; W353-D380 HydrophobicContact CB-CB 4.18Å; W353-D380 VanDerWaalsContact CB-CG 3.45Å; W353-D380 WeakPolarHBondContact CB-OD2 3.49Å; W353-D380 PolarHBondContact N-OD1 3.14Å; W353-D380 VanDerWaalsContact N-OD1 3.15Å; W353-D380 PolarHBondContact N-OD2 3.39Å; D380-F394 HydrophobicContact CB-CE2 4.23Å; D380-F394 WeakPolarHBondContact O-CD2 3.45Å; D380-L395 PolarHBondContact O-N 3.5Å
381I94.1Very high94.6Very high0 Ų066.7 Ų66.70%035%0.351CS..EExtended strand (participates in β ladder)trans-123.8148.9-177.950.4157.6000112I352 W353 F365 I369 T379 L392 A393I352-I381 HydrophobicContact CD1-CD1 4.05Å; I352-I381 HydrophobicContact CD1-CG2 4.34Å; I352-I381 HydrophobicContact CG1-CD1 4.22Å; I352-I381 HydrophobicContact CG1-CG1 4.44Å; I352-I381 HydrophobicContact CG1-CG2 3.94Å; W353-I381 HydrophobicContact CE3-CG2 3.96Å; F365-I381 HydrophobicContact CB-CD1 3.53Å; F365-I381 HydrophobicContact CD1-CD1 3.64Å; F365-I381 HydrophobicContact CG-CD1 3.72Å; I369-I381 HydrophobicContact CD1-CD1 4.35Å; T379-I381 HydrophobicContact CG2-CG1 3.78Å; T379-I381 WeakPolarHBondContact CG2-O 3.49Å; T379-I381 VanDerWaalsContact OG1-CG1 3.28Å; T379-I381 WeakPolarHBondContact OG1-CG1 3.42Å; I381-L392 HydrophobicContact CB-CB 4.3Å; I381-L392 HydrophobicContact CB-CD1 4.42Å; I381-L392 HydrophobicContact CB-CD2 4.42Å; I381-L392 HydrophobicContact CD1-CD1 3.77Å; I381-L392 HydrophobicContact CD1-CD2 4.01Å; I381-L392 HydrophobicContact CD1-CG 4.45Å; I381-L392 HydrophobicContact CG2-CB 4.21Å; I381-L392 HydrophobicContact CG2-CD1 4.26Å; I381-A393 CarbonylContact C-O 3.5Å; I381-A393 VanDerWaalsContact CA-O 3.3Å; I381-A393 WeakPolarHBondContact CA-O 3.4Å
382K95.5Very high94.6Very high84 Ų8463.2 Ų63.237%0.36533%0.333SS..EExtended strand (participates in β ladder)trans-131.8123170.9-177.4166.6-172.2120.40111E376 A393 L395E376-K382 IonicContact OE1-NZ 3.12Å; E376-K382 PolarHBondContact OE1-NZ 2.94Å; E376-K382 VanDerWaalsContact OE1-NZ 3.12Å; E376-K382 IonicContact OE2-NZ 2.78Å; E376-K382 PolarHBondContact OE2-NZ 2.85Å; K382-A393 PolarHBondContact N-O 3.47Å; K382-A393 PolarHBondContact O-N 3.12Å; K382-L395 HydrophobicContact CB-CB 4.26Å; K382-L395 HydrophobicContact CB-CD1 4.19Å; K382-L395 HydrophobicContact CD-CD1 4.02Å
383P97.4Very high94.6Very high35 Ų3559 Ų5923%0.22732%0.315CS..EExtended strand (participates in β ladder)trans-64.5141.9175.1-22.134000112.5A366 I369 C391 L392A366-P383 HydrophobicContact CB-CB 3.67Å; A366-P383 HydrophobicContact CB-CG 3.71Å; I369-P383 HydrophobicContact CB-CG 4.34Å; I369-P383 HydrophobicContact CD1-CG 3.71Å; P383-C391 CarbonylContact C-O 3.59Å; P383-C391 WeakPolarHBondContact CA-O 3.33Å; P383-L392 HydrophobicContact CB-CD2 4.31Å; P383-L392 HydrophobicContact CG-CD2 4.03Å
384Y97.3Very high94.4Very high109 Ų10960.9 Ų60.943%0.42733%0.325SS..EExtended strand (participates in β ladder)trans-149.3162.8169.770.3-72.5000110V386 C391 L392 A393Y384-V386 HydrophobicContact CD2-CG2 3.64Å; Y384-V386 HydrophobicContact CE2-CG2 3.31Å; Y384-C391 HydrophobicContact CD1-CB 3.92Å; Y384-C391 WeakPolarHBondContact CD1-O 3.45Å; Y384-C391 HydrophobicContact CD2-CB 4.47Å; Y384-C391 HydrophobicContact CE1-CB 3.36Å; Y384-C391 HydrophobicContact CE2-CB 4.01Å; Y384-C391 HydrophobicContact CG-CB 4.43Å; Y384-C391 VanDerWaalsContact CZ-CB 3.41Å; Y384-C391 PolarHBondContact N-O 3.34Å; Y384-C391 PolarHBondContact O-N 3.5Å; Y384-L392 VanDerWaalsContact CE1-C 3.45Å; Y384-A393 HydrophobicContact CD1-CB 3.67Å; Y384-A393 HydrophobicContact CE1-CB 3.63Å
385I97.8Very high94.1Very high129 Ų12962.4 Ų62.466%0.66233%0.333SS*.EExtended strand (participates in β ladder)trans-113130.4-178.1-59.8175.4000109.6R389I385-R389 WeakPolarHBondContact CA-O 3.21Å
386V96.3Very high93.2Very high65 Ų6562 Ų6239%0.39434%0.335SS..EExtended strand (participates in β ladder)trans-129126.4169.7-179.10000108.4Y384 G388 R389Y384-V386 HydrophobicContact CD2-CG2 3.64Å; Y384-V386 HydrophobicContact CE2-CG2 3.31Å; V386-G388 PolarHBondContact O-N 3.45Å; V386-G388 VanDerWaalsContact O-N 3.09Å; V386-R389 PolarHBondContact N-O 3.26Å; V386-R389 PolarHBondContact O-N 3.07Å
387D95.9Very high92.3Very high160 Ų16060.5 Ų60.586%0.85633%0.328SS*.THydrogen-bonded Turntrans50.237.7178.3-57.5-29000114R389D387-R389 PolarHBondContact O-N 2.81Å
388G95.2Very high90.8Very high73 Ų7360.8 Ų60.875%0.75333%0.329SS*.THydrogen-bonded Turntrans76.43-178.700000115.2V386V386-G388 PolarHBondContact O-N 3.45Å; V386-G388 VanDerWaalsContact O-N 3.09Å
389R97.2Very high88.8Confident155 Ų15560.6 Ų60.659%0.58533%0.328SS*.EExtended strand (participates in β ladder)trans-102.5137.7175.7-60.7-176.2-175.2-178.9-0.5111I385 V386 D387I385-R389 WeakPolarHBondContact CA-O 3.21Å; V386-R389 PolarHBondContact N-O 3.26Å; V386-R389 PolarHBondContact O-N 3.07Å; D387-R389 PolarHBondContact O-N 2.81Å
390T97.9Very high86.7Confident29 Ų2962.4 Ų62.418%0.17834%0.339CS..EExtended strand (participates in β ladder)trans-75.1132.6172.2-50.80000109.9C362 N363 A366C362-T390 HydrophobicContact CB-CG2 4.29Å; C362-T390 VanDerWaalsContact CB-O 3.29Å; C362-T390 WeakPolarHBondContact CB-O 3.11Å; N363-T390 WeakPolarHBondContact OD1-CB 3.31Å; N363-T390 PolarHBondContact OD1-OG1 3.16Å; A366-T390 HydrophobicContact CB-CG2 3.54Å
391C97.8Very high84.3Confident34 Ų3463.2 Ų63.223%0.2334%0.342CS..EExtended strand (participates in β ladder)trans-129.8161.7174.1-64.20000110P383 Y384P383-C391 CarbonylContact C-O 3.59Å; P383-C391 WeakPolarHBondContact CA-O 3.33Å; Y384-C391 HydrophobicContact CD1-CB 3.92Å; Y384-C391 WeakPolarHBondContact CD1-O 3.45Å; Y384-C391 HydrophobicContact CD2-CB 4.47Å; Y384-C391 HydrophobicContact CE1-CB 3.36Å; Y384-C391 HydrophobicContact CE2-CB 4.01Å; Y384-C391 HydrophobicContact CG-CB 4.43Å; Y384-C391 VanDerWaalsContact CZ-CB 3.41Å; Y384-C391 PolarHBondContact N-O 3.34Å; Y384-C391 PolarHBondContact O-N 3.5Å
392L97Very high82.2Confident11 Ų1165.8 Ų65.86%0.05835%0.351CS..EExtended strand (participates in β ladder)trans-112.3126.1173.5-62.1176.2000109.7I352 H357 C362 F365 I381 P383 Y384I352-L392 HydrophobicContact CD1-CD1 4.34Å; H357-L392 HydrophobicContact CB-CD1 4.48Å; C362-L392 HydrophobicContact CB-CG 4.19Å; F365-L392 HydrophobicContact CB-CD1 4.06Å; F365-L392 HydrophobicContact CB-CD2 4.4Å; I381-L392 HydrophobicContact CB-CB 4.3Å; I381-L392 HydrophobicContact CB-CD1 4.42Å; I381-L392 HydrophobicContact CB-CD2 4.42Å; I381-L392 HydrophobicContact CD1-CD1 3.77Å; I381-L392 HydrophobicContact CD1-CD2 4.01Å; I381-L392 HydrophobicContact CD1-CG 4.45Å; I381-L392 HydrophobicContact CG2-CB 4.21Å; I381-L392 HydrophobicContact CG2-CD1 4.26Å; P383-L392 HydrophobicContact CB-CD2 4.31Å; P383-L392 HydrophobicContact CG-CD2 4.03Å; Y384-L392 VanDerWaalsContact CE1-C 3.45Å
393A95.8Very high79.9Confident34 Ų3464.5 Ų64.528%0.28135%0.347SS..EExtended strand (participates in β ladder)trans-98.4153.9173.500000109.5I381 K382 Y384 L395I381-A393 CarbonylContact C-O 3.5Å; I381-A393 VanDerWaalsContact CA-O 3.3Å; I381-A393 WeakPolarHBondContact CA-O 3.4Å; K382-A393 PolarHBondContact N-O 3.47Å; K382-A393 PolarHBondContact O-N 3.12Å; Y384-A393 HydrophobicContact CD1-CB 3.67Å; Y384-A393 HydrophobicContact CE1-CB 3.63Å; A393-L395 PolarHBondContact O-N 3.16Å
394F92.7Very high77.7Confident87 Ų8764.2 Ų64.238%0.38234%0.342SS..EExtended strand (participates in β ladder)trans-65.7130.5171.8-176.1-136.9000108.9W353 D380 P396W353-F394 HydrophobicContact CB-CD2 4Å; W353-F394 HydrophobicContact CB-CE2 4.3Å; W353-F394 AromaticContact CD1-CD2 3.59Å; W353-F394 AromaticContact CD1-CE2 3.96Å; W353-F394 HydrophobicContact CD2-CB 3.7Å; W353-F394 AromaticContact CD2-CD2 3.57Å; W353-F394 HydrophobicContact CD2-CD2 3.57Å; W353-F394 AromaticContact CD2-CG 3.95Å; W353-F394 HydrophobicContact CD2-CG 3.95Å; W353-F394 AromaticContact CE2-CD2 3.93Å; W353-F394 AromaticContact CE2-CG 3.87Å; W353-F394 HydrophobicContact CE3-CB 3.87Å; W353-F394 HydrophobicContact CE3-CD2 4.18Å; W353-F394 HydrophobicContact CE3-CG 4.48Å; W353-F394 HydrophobicContact CG-CB 4.44Å; W353-F394 AromaticContact CG-CD2 3.41Å; W353-F394 HydrophobicContact CG-CD2 3.41Å; W353-F394 VanDerWaalsContact CG-CD2 3.41Å; W353-F394 AromaticContact CG-CE2 3.99Å; W353-F394 HydrophobicContact CG-CE2 3.99Å; W353-F394 HydrophobicContact CG-CG 4.18Å; W353-F394 HydrophobicContact CH2-CB 3.77Å; W353-F394 HydrophobicContact CZ2-CB 3.55Å; W353-F394 HydrophobicContact CZ2-CG 4.38Å; W353-F394 HydrophobicContact CZ3-CB 3.93Å; W353-F394 AromaticContact NE1-CD2 3.86Å; W353-F394 AromaticContact NE1-CG 3.93Å; D380-F394 HydrophobicContact CB-CE2 4.23Å; D380-F394 WeakPolarHBondContact O-CD2 3.45Å; F394-P396 HydrophobicContact CD1-CB 4.03Å; F394-P396 HydrophobicContact CD1-CG 4.31Å; F394-P396 HydrophobicContact CE1-CB 3.62Å; F394-P396 HydrophobicContact CE1-CG 4.39Å; F394-P396 HydrophobicContact CZ-CB 4.19Å; F394-P396 WeakPolarHBondContact O-CD 3.38Å
395L88.3Confident75.3Confident34 Ų3460.7 Ų60.718%0.17833%0.327CS..  trans-103.395.1170.3-166.763000109.2E376 D380 K382 A393 H397E376-L395 HydrophobicContact CB-CD2 4.15Å; E376-L395 WeakPolarHBondContact O-CD2 3.45Å; D380-L395 PolarHBondContact O-N 3.5Å; K382-L395 HydrophobicContact CB-CB 4.26Å; K382-L395 HydrophobicContact CB-CD1 4.19Å; K382-L395 HydrophobicContact CD-CD1 4.02Å; A393-L395 PolarHBondContact O-N 3.16Å; L395-H397 PolarHBondContact O-CD2 3.09Å; L395-H397 PolarHBondContact O-N 2.91Å; L395-H397 VanDerWaalsContact O-N 3.09Å
396P73.6Confident72.9Confident73 Ų7355.1 Ų55.147%0.47430%0.298SS..  trans-78.494.2176.631.1-33.5000109.5F394F394-P396 HydrophobicContact CD1-CB 4.03Å; F394-P396 HydrophobicContact CD1-CG 4.31Å; F394-P396 HydrophobicContact CE1-CB 3.62Å; F394-P396 HydrophobicContact CE1-CG 4.39Å; F394-P396 HydrophobicContact CZ-CB 4.19Å; F394-P396 WeakPolarHBondContact O-CD 3.38Å
397H69Low70.3Confident46 Ų4652.8 Ų52.821%0.21329%0.285CS..SBendtrans-124170.2164.363103.1000110.7E376 N377 T379 L395 C399 R402E376-H397 PolarHBondContact O-NE2 3.46Å; N377-H397 PolarHBondContact O-CE1 3.48Å; T379-H397 PolarHBondContact O-NE2 3.14Å; L395-H397 PolarHBondContact O-CD2 3.09Å; L395-H397 PolarHBondContact O-N 2.91Å; L395-H397 VanDerWaalsContact O-N 3.09Å; H397-C399 VanDerWaalsContact CD2-SG 3.6Å; H397-C399 WeakPolarHBondContact CE1-CA 3.28Å; H397-C399 WeakPolarHBondContact CE1-CB 3.49Å; H397-C399 PolarHBondContact CE1-SG 3.03Å; H397-C399 VanDerWaalsContact ND1-CA 3.27Å; H397-C399 WeakPolarHBondContact ND1-CA 3.21Å; H397-C399 PolarHBondContact ND1-N 2.87Å; H397-C399 PolarHBondContact NE2-SG 2.89Å; H397-C399 PolarHBondContact O-N 3.25Å; H397-C399 PolarHBondContact O-SG 3.26Å; H397-C399 VanDerWaalsContact O-SG 3.39Å; H397-R402 PolarHBondContact O-NH2 3.22Å
398D53.7Low67.3Low99 Ų9947 Ų4753%0.52926%0.255SS..  trans-74.474.7165.1-64.4-30.4000106.8R402D398-R402 IonicContact OD1-CZ 3.73Å; D398-R402 IonicContact OD1-NH1 3.15Å; D398-R402 PolarHBondContact OD1-NH1 2.98Å; D398-R402 IonicContact OD1-NH2 3.96Å
399C49.1Very low64.2Low10 Ų1045.9 Ų45.97%0.06824%0.235CC..  trans-59.2155.7179.6-35.70000109.5Y351 H397 Y401 R402Y351-C399 HydrophobicContact CE1-CB 3.56Å; Y351-C399 WeakPolarHBondContact OH-CB 3.5Å; H397-C399 VanDerWaalsContact CD2-SG 3.6Å; H397-C399 WeakPolarHBondContact CE1-CA 3.28Å; H397-C399 WeakPolarHBondContact CE1-CB 3.49Å; H397-C399 PolarHBondContact CE1-SG 3.03Å; H397-C399 VanDerWaalsContact ND1-CA 3.27Å; H397-C399 WeakPolarHBondContact ND1-CA 3.21Å; H397-C399 PolarHBondContact ND1-N 2.87Å; H397-C399 PolarHBondContact NE2-SG 2.89Å; H397-C399 PolarHBondContact O-N 3.25Å; H397-C399 PolarHBondContact O-SG 3.26Å; H397-C399 VanDerWaalsContact O-SG 3.39Å; C399-Y401 PolarHBondContact O-N 3.09Å; C399-R402 PolarHBondContact O-N 3.23Å
400T47.4Very low60.8Low38 Ų3849 Ų4923%0.23325%0.247CC..Hα-helixtrans-47.1-32.2163.845.70000110.6C349 Y351 R402 Q403 Y404C349-T400 PolarHBondContact SG-OG1 3.26Å; Y351-T400 PolarHBondContact OH-OG1 2.91Å; T400-R402 PolarHBondContact O-N 2.89Å; T400-R402 VanDerWaalsContact O-N 3.09Å; T400-Q403 VanDerWaalsContact O-CB 3.24Å; T400-Q403 WeakPolarHBondContact O-CB 3.36Å; T400-Q403 PolarHBondContact O-N 2.86Å; T400-Y404 WeakPolarHBondContact O-CD2 3.47Å; T400-Y404 WeakPolarHBondContact O-CE2 3.42Å
401Y41.8Very low57.6Low22 Ų2254.8 Ų54.89%0.08627%0.265CS..Hα-helixtrans-39.8-45167.5-167.8-132.3000115.9D295 A297 A323 Q325 Y351 C399 Q403 Y404 R405D295-Y401 PolarHBondContact OD1-OH 3.07Å; D295-Y401 WeakPolarHBondContact OD2-CE2 3.33Å; D295-Y401 PolarHBondContact OD2-OH 2.86Å; D295-Y401 VanDerWaalsContact OD2-OH 3.09Å; A297-Y401 WeakPolarHBondContact CB-OH 3.39Å; A323-Y401 HydrophobicContact CB-CD2 4.01Å; A323-Y401 HydrophobicContact CB-CE2 3.24Å; Q325-Y401 PolarHBondContact NE2-OH 3.41Å; Q325-Y401 PolarHBondContact OE1-OH 3.26Å; Y351-Y401 HydrophobicContact CD1-CG 4.35Å; Y351-Y401 AromaticContact CD2-CD2 3.58Å; Y351-Y401 HydrophobicContact CD2-CD2 3.58Å; Y351-Y401 HydrophobicContact CD2-CE2 4.28Å; Y351-Y401 AromaticContact CD2-CG 3.92Å; Y351-Y401 HydrophobicContact CD2-CG 3.92Å; Y351-Y401 HydrophobicContact CE1-CG 4.34Å; Y351-Y401 AromaticContact CE2-CD2 3.76Å; Y351-Y401 HydrophobicContact CE2-CD2 3.76Å; Y351-Y401 AromaticContact CE2-CG 3.9Å; Y351-Y401 HydrophobicContact CE2-CG 3.9Å; Y351-Y401 HydrophobicContact CG-CD2 4.14Å; Y351-Y401 HydrophobicContact CG-CG 4.15Å; Y351-Y401 PolarHBondContact OH-N 3.45Å; C399-Y401 PolarHBondContact O-N 3.09Å; Y401-Q403 VanDerWaalsContact C-N 3.34Å; Y401-Y404 PolarHBondContact O-N 3.48Å; Y401-R405 PolarHBondContact OH-NE 2.89Å; Y401-R405 PolarHBondContact OH-NH2 2.95Å
402R48.8Very low54.4Low54 Ų5457.4 Ų57.420%0.20427%0.273CS..Hα-helixtrans-77.3-22-176.7-68.1-163.2-168.5158.120.5112.3H397 D398 C399 T400 Y404 R405 P416H397-R402 PolarHBondContact O-NH2 3.22Å; D398-R402 IonicContact OD1-CZ 3.73Å; D398-R402 IonicContact OD1-NH1 3.15Å; D398-R402 PolarHBondContact OD1-NH1 2.98Å; D398-R402 IonicContact OD1-NH2 3.96Å; C399-R402 PolarHBondContact O-N 3.23Å; T400-R402 PolarHBondContact O-N 2.89Å; T400-R402 VanDerWaalsContact O-N 3.09Å; R402-Y404 PolarHBondContact O-N 3.49Å; R402-R405 PolarHBondContact O-N 3.2Å; R402-P416 WeakPolarHBondContact O-CG 3.31Å
403Q48.7Very low51.2Low58 Ų5863.6 Ų63.627%0.27130%0.3SS..Hα-helixtrans-59.7-29.9171.9-62.2176.8-16.800110.9T400 Y401 P416T400-Q403 VanDerWaalsContact O-CB 3.24Å; T400-Q403 WeakPolarHBondContact O-CB 3.36Å; T400-Q403 PolarHBondContact O-N 2.86Å; Y401-Q403 VanDerWaalsContact C-N 3.34Å; Q403-P416 HydrophobicContact CG-CB 4.16Å
404Y49.7Very low48.1Very low29 Ų2968.4 Ų68.411%0.11432%0.316CS..THydrogen-bonded Turntrans-90.7-10.4179.5-49.8-76000114.6H239 L265 V293 V321 T400 Y401 R402 A422H239-Y404 PolarHBondContact CE1-O 3.37Å; L265-Y404 HydrophobicContact CD1-CD1 3.84Å; L265-Y404 HydrophobicContact CD1-CG 4.3Å; V293-Y404 HydrophobicContact CG1-CD1 4.47Å; V293-Y404 HydrophobicContact CG1-CG 4.34Å; V293-Y404 HydrophobicContact CG2-CD1 3.79Å; V293-Y404 HydrophobicContact CG2-CE1 3.62Å; V293-Y404 HydrophobicContact CG2-CG 4.37Å; V321-Y404 HydrophobicContact CG2-CE2 3.91Å; T400-Y404 WeakPolarHBondContact O-CD2 3.47Å; T400-Y404 WeakPolarHBondContact O-CE2 3.42Å; Y401-Y404 PolarHBondContact O-N 3.48Å; R402-Y404 PolarHBondContact O-N 3.49Å; Y404-A422 HydrophobicContact CD1-CB 3.71Å; Y404-A422 HydrophobicContact CE1-CB 3.22Å
405R46.8Very low45.3Very low34 Ų3465.9 Ų65.913%0.12831%0.312CS..  trans-106.8130.1179.8-82.7-170172.7-156-5.3112.2S269 D295 Y401 R402S269-R405 PolarHBondContact OG-NH2 3Å; D295-R405 IonicContact OD1-NH2 2.86Å; D295-R405 PolarHBondContact OD1-NH2 2.88Å; D295-R405 IonicContact OD2-CZ 2.69Å; D295-R405 IonicContact OD2-NE 3.94Å; D295-R405 PolarHBondContact OD2-NE 2.75Å; D295-R405 IonicContact OD2-NH2 3.85Å; D295-R405 PolarHBondContact OD2-NH2 3.41Å; Y401-R405 PolarHBondContact OH-NE 2.89Å; Y401-R405 PolarHBondContact OH-NH2 2.95Å; R402-R405 PolarHBondContact O-N 3.2Å
406F47.6Very low42.8Very low12 Ų1266.4 Ų66.45%0.05332%0.317CS..SBendtrans-84.9-40.3179.2-72-93.3000113.5F178 D180 N208 H239 V408F178-F406 HydrophobicContact CD1-CE1 4.27Å; F178-F406 HydrophobicContact CD2-CE1 4.43Å; F178-F406 HydrophobicContact CD2-CZ 4.17Å; F178-F406 HydrophobicContact CE1-CD1 4.02Å; F178-F406 AromaticContact CE1-CE1 3.28Å; F178-F406 HydrophobicContact CE1-CE1 3.28Å; F178-F406 AromaticContact CE1-CZ 3.93Å; F178-F406 HydrophobicContact CE1-CZ 3.93Å; F178-F406 AromaticContact CE2-CE1 3.5Å; F178-F406 HydrophobicContact CE2-CE1 3.5Å; F178-F406 VanDerWaalsContact CE2-CE1 3.5Å; F178-F406 HydrophobicContact CE2-CE2 4.06Å; F178-F406 AromaticContact CE2-CZ 3.19Å; F178-F406 HydrophobicContact CE2-CZ 3.19Å; F178-F406 AromaticContact CZ-CD1 3.67Å; F178-F406 HydrophobicContact CZ-CD1 3.67Å; F178-F406 AromaticContact CZ-CE1 2.85Å; F178-F406 HydrophobicContact CZ-CE1 2.85Å; F178-F406 HydrophobicContact CZ-CE2 4.01Å; F178-F406 HydrophobicContact CZ-CG 4.47Å; F178-F406 AromaticContact CZ-CZ 3.1Å; F178-F406 HydrophobicContact CZ-CZ 3.1Å; D180-F406 HydrophobicContact CB-CD1 4.12Å; D180-F406 WeakPolarHBondContact OD2-CB 3.44Å; D180-F406 WeakPolarHBondContact OD2-CD1 3.28Å; N208-F406 HydrophobicContact CB-CD2 4.34Å; N208-F406 HydrophobicContact CB-CG 4.19Å; N208-F406 WeakPolarHBondContact ND2-CB 3.5Å; H239-F406 AromaticContact CD2-CD2 3.84Å; H239-F406 AromaticContact CD2-CE2 3.68Å; H239-F406 AromaticContact CE1-CD2 3.52Å; H239-F406 AromaticContact CE1-CE2 3.41Å; H239-F406 VanDerWaalsContact CE1-CE2 3.41Å; H239-F406 WeakPolarHBondContact CE1-CE2 3.24Å; H239-F406 AromaticContact CG-CD2 3.99Å; H239-F406 AromaticContact ND1-CD2 3.78Å; H239-F406 AromaticContact NE2-CD2 3.57Å; H239-F406 AromaticContact NE2-CE2 3.11Å; H239-F406 WeakPolarHBondContact NE2-CE2 3.5Å; F406-V408 PolarHBondContact O-N 2.6Å
407S41.5Very low40.9Very low17 Ų1768.9 Ų68.912%0.11933%0.331CS..  trans-89.7104176.146.20000109.9P409S407-P409 WeakPolarHBondContact O-CD 3.25Å
408V34.6Very low39.3Very low38 Ų3869.7 Ų69.723%0.2334%0.337CS..  trans-67.1123.5160.4-159.70000106.2F406 W410 K412F406-V408 PolarHBondContact O-N 2.6Å; V408-W410 PolarHBondContact O-N 2.88Å; V408-K412 HydrophobicContact CG1-CB 4.48Å; V408-K412 VanDerWaalsContact CG1-O 3.26Å; V408-K412 WeakPolarHBondContact CG1-O 3.44Å
409P28.3Very low38.9Very low49 Ų4968 Ų6832%0.31832%0.323SS..  trans-52.2140.6168.9-23.433.2000109.2S407 W411 K412S407-P409 WeakPolarHBondContact O-CD 3.25Å; P409-W411 HydrophobicContact CB-CD2 3.9Å; P409-W411 HydrophobicContact CB-CE3 3.92Å; P409-W411 HydrophobicContact CB-CH2 3.78Å; P409-W411 HydrophobicContact CB-CZ2 3.7Å; P409-W411 HydrophobicContact CB-CZ3 3.86Å; P409-W411 HydrophobicContact CG-CZ2 4.39Å; P409-W411 PolarHBondContact O-N 3.34Å; P409-K412 PolarHBondContact O-N 3.24Å
410W26.8Very low38Very low222 Ų22272 Ų7284%0.84135%0.351SS*.THydrogen-bonded Turntrans-53.81.2-168.86478.3000117V408V408-W410 PolarHBondContact O-N 2.88Å
411W30Very low37.2Very low149 Ų14975 Ų7556%0.56437%0.365SS*.THydrogen-bonded Turntrans-109.66.8-176.257.885000115.8P409P409-W411 HydrophobicContact CB-CD2 3.9Å; P409-W411 HydrophobicContact CB-CE3 3.92Å; P409-W411 HydrophobicContact CB-CH2 3.78Å; P409-W411 HydrophobicContact CB-CZ2 3.7Å; P409-W411 HydrophobicContact CB-CZ3 3.86Å; P409-W411 HydrophobicContact CG-CZ2 4.39Å; P409-W411 PolarHBondContact O-N 3.34Å
412K30.9Very low36.9Very low90 Ų9074.4 Ų74.439%0.39136%0.364SS..  trans-140.3139.2172.7-69-167.4177.7-172.90114.7V408 P409V408-K412 HydrophobicContact CG1-CB 4.48Å; V408-K412 VanDerWaalsContact CG1-O 3.26Å; V408-K412 WeakPolarHBondContact CG1-O 3.44Å; P409-K412 PolarHBondContact O-N 3.24Å
413F30.1Very low36.5Very low140 Ų14073.6 Ų73.661%0.61436%0.364SS*.  trans-86.2142.1-177.4-57.3-90.6000110.2H67H67-F413 AromaticContact CD2-CE1 3.96Å
414Q30.9Very low35.7Very low135 Ų13578.3 Ų78.363%0.63140%0.403SS*.  trans96.4122.1179.4-54.7-178.21300116.1
415A33.6Very low35Very low35 Ų3580.8 Ų80.829%0.28942%0.418SS..  trans-96157.6166.400000109.6
416P35.2Very low34.3Very low44 Ų4483.3 Ų83.329%0.28643%0.433SS..  trans-63146.6-178-15.527.1000113R402 Q403R402-P416 WeakPolarHBondContact O-CG 3.31Å; Q403-P416 HydrophobicContact CG-CB 4.16Å
417T35.3Very low33.6Very low125 Ų12587.2 Ų87.277%0.76745%0.454SS*.SBendtrans-81.7-22.8-179.345.20000114.4
418D35.3Very low33.1Very low63 Ų6391.4 Ų91.434%0.33747%0.474SS..  trans-144.9123.1-178-169.6-9.7000109.5S420 I421D418-S420 WeakPolarHBondContact OD1-CB 3.49Å; D418-S420 PolarHBondContact OD1-N 3.43Å; D418-S420 PolarHBondContact OD1-OG 3.45Å; D418-I421 HydrophobicContact CB-CD1 4.19Å; D418-I421 HydrophobicContact CB-CG1 4.44Å; D418-I421 WeakPolarHBondContact OD2-CD1 3.5Å; D418-I421 WeakPolarHBondContact OD2-CG1 3.44Å
419R44.3Very low33.1Very low65 Ų6594.7 Ų94.725%0.24549%0.489CS..SBendtrans-96-15.4177.8-70.5-177.3174-177.7-7.4112.6K152 I421K152-R419 VanDerWaalsContact CD-NH2 3.35Å; R419-I421 VanDerWaalsContact C-N 3.26Å; R419-I421 PolarHBondContact O-N 3.03Å
420S29.7Very low33.4Very low94 Ų9497.7 Ų97.766%0.65750%0.5SS*.THydrogen-bonded Turntrans-78.5-7-169.769.30000114D418 A422D418-S420 WeakPolarHBondContact OD1-CB 3.49Å; D418-S420 PolarHBondContact OD1-N 3.43Å; D418-S420 PolarHBondContact OD1-OG 3.45Å; S420-A422 VanDerWaalsContact C-N 3.34Å; S420-A422 PolarHBondContact O-N 3.12Å
421I31.1Very low33.8Very low101 Ų10188.9 Ų88.952%0.51848%0.476SS..THydrogen-bonded Turntrans-82.8-11.1-175.3-49.9177.9000112.7D418 R419D418-I421 HydrophobicContact CB-CD1 4.19Å; D418-I421 HydrophobicContact CB-CG1 4.44Å; D418-I421 WeakPolarHBondContact OD2-CD1 3.5Å; D418-I421 WeakPolarHBondContact OD2-CG1 3.44Å; R419-I421 VanDerWaalsContact C-N 3.26Å; R419-I421 PolarHBondContact O-N 3.03Å
422A35.3Very low34.1Very low9 Ų984.2 Ų84.27%0.07447%0.469CS..SBendtrans-71.1-38.7-171.900000114.9Y404 S420Y404-A422 HydrophobicContact CD1-CB 3.71Å; Y404-A422 HydrophobicContact CE1-CB 3.22Å; S420-A422 VanDerWaalsContact C-N 3.34Å; S420-A422 PolarHBondContact O-N 3.12Å
423L41.1Very low34.4Very low37 Ų3783.8 Ų83.819%0.19448%0.476CS..  trans-126.662.7-167.1-58.6177.6000108.9K236 E237 E264 V292K236-L423 HydrophobicContact CB-CD1 3.97Å; K236-L423 HydrophobicContact CD-CD1 4.18Å; E237-L423 HydrophobicContact CG-CD1 3.97Å; E264-L423 HydrophobicContact CB-CD1 4.13Å; E264-L423 HydrophobicContact CB-CD2 3.53Å; E264-L423 HydrophobicContact CB-CG 4.42Å; E264-L423 HydrophobicContact CG-CD2 4.36Å; E264-L423 VanDerWaalsContact OE2-CB 3.28Å; E264-L423 WeakPolarHBondContact OE2-CB 3.32Å; E264-L423 VanDerWaalsContact OE2-CD1 3.25Å; E264-L423 WeakPolarHBondContact OE2-CD1 3.36Å; E264-L423 WeakPolarHBondContact OE2-CD2 3.02Å; E264-L423 WeakPolarHBondContact OE2-CG 3.5Å; V292-L423 HydrophobicContact CB-CD2 4.3Å; V292-L423 HydrophobicContact CG2-CD2 4.38Å
424S31Very low34.8Very low157 Ų15778.6 Ų78.6100%1.09846%0.463SS*.  trans-69.60174.166.60000112

Retrieved 424 of 424 residues in 100.5 ms (Link to these results)

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