A0A5K4F0K1_SCHMA Loading...

Cysteine protease

Cysteine protease that plays a key role in autophagy by mediating both proteolytic activation and delipidation of ATG8 family proteins.

AlphaFold DB , UniProt , Accession A0A5K4F0K1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 541 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
1M39.3Very low44.4Very low134 Ų13478.7 Ų78.766%0.6638%0.384SS*.  0136.60-106.6-169.315600108.6Y3 V5 L6 F23 L26M1-Y3 PolarHBondContact O-N 2.82Å; M1-V5 HydrophobicContact CE-CG1 4.23Å; M1-L6 HydrophobicContact SD-CD1 4.41Å; M1-F23 HydrophobicContact CE-CE1 4.33Å; M1-L26 HydrophobicContact CE-CD2 3.13Å; M1-L26 HydrophobicContact SD-CD2 3.69Å
2N36.2Very low44.6Very low102 Ų10281.8 Ų81.855%0.54539%0.394SS..  trans-63.1127.4172.6-177.9-22.8000109N4 V5 L6N2-N4 PolarHBondContact O-N 3.37Å; N2-N4 VanDerWaalsContact O-N 3.12Å; N2-N4 PolarHBondContact OD1-N 3.27Å; N2-N4 VanDerWaalsContact OD1-N 3.15Å; N2-V5 HydrophobicContact CB-CG2 4Å; N2-V5 WeakPolarHBondContact O-CB 3.48Å; N2-V5 PolarHBondContact O-N 3.33Å; N2-L6 PolarHBondContact O-N 3.05Å
3Y38.3Very low45.1Very low172 Ų17281.1 Ų81.168%0.67540%0.397SS*.Hα-helixtrans-53.5-32.3-177.1-74.7-79.4000113M1 V5 L6 F7 W83M1-Y3 PolarHBondContact O-N 2.82Å; Y3-V5 VanDerWaalsContact C-N 3.33Å; Y3-V5 PolarHBondContact O-N 3.4Å; Y3-L6 PolarHBondContact O-N 2.85Å; Y3-F7 PolarHBondContact O-N 2.82Å; Y3-F7 VanDerWaalsContact O-N 3.11Å; Y3-W83 HydrophobicContact CD1-CH2 4.48Å; Y3-W83 VanDerWaalsContact O-CH2 3.32Å; Y3-W83 WeakPolarHBondContact O-CH2 3.22Å
4N41Very low45.2Very low112 Ų11279.9 Ų79.960%0.59939%0.393SS*.Hα-helixtrans-66.1-33.9176.3-69.3-22.8000112.8N2 H8N2-N4 PolarHBondContact O-N 3.37Å; N2-N4 VanDerWaalsContact O-N 3.12Å; N2-N4 PolarHBondContact OD1-N 3.27Å; N2-N4 VanDerWaalsContact OD1-N 3.15Å; N4-H8 PolarHBondContact O-N 2.99Å; N4-H8 VanDerWaalsContact O-N 3.11Å
5V43.2Very low44.9Very low69 Ų6979.9 Ų79.942%0.41840%0.395SS..Hα-helixtrans-70.7-40.5179.1178.10000110.4M1 N2 Y3 L9M1-V5 HydrophobicContact CE-CG1 4.23Å; N2-V5 HydrophobicContact CB-CG2 4Å; N2-V5 WeakPolarHBondContact O-CB 3.48Å; N2-V5 PolarHBondContact O-N 3.33Å; Y3-V5 VanDerWaalsContact C-N 3.33Å; Y3-V5 PolarHBondContact O-N 3.4Å; V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 PolarHBondContact O-N 3.11Å
6L46Very low44.3Very low44 Ų4478.1 Ų78.123%0.2340%0.404CS..Hα-helixtrans-69.4-38.9178.6-170.169000111.9M1 N2 Y3 L9 V10 L30 W83M1-L6 HydrophobicContact SD-CD1 4.41Å; N2-L6 PolarHBondContact O-N 3.05Å; Y3-L6 PolarHBondContact O-N 2.85Å; L6-L9 HydrophobicContact CD1-CD2 4.5Å; L6-L9 WeakPolarHBondContact O-CB 3.45Å; L6-L9 PolarHBondContact O-N 3.13Å; L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 2.68Å; L6-L30 HydrophobicContact CD1-CD1 4.25Å; L6-W83 HydrophobicContact CB-CH2 4.13Å; L6-W83 HydrophobicContact CB-CZ3 3.96Å; L6-W83 HydrophobicContact CD2-CH2 4.29Å; L6-W83 HydrophobicContact CD2-CZ3 3.97Å; L6-W83 HydrophobicContact CG-CH2 4.4Å; L6-W83 HydrophobicContact CG-CZ3 3.86Å
7F47.7Very low43.5Very low55 Ų5581.2 Ų81.224%0.24141%0.413CS..Hα-helixtrans-60.6-50.2174.1-179.6-93.6000111.1Y3 L9 V10 E11 I79 W83Y3-F7 PolarHBondContact O-N 2.82Å; Y3-F7 VanDerWaalsContact O-N 3.11Å; F7-L9 PolarHBondContact O-N 3Å; F7-V10 PolarHBondContact O-N 2.97Å; F7-E11 WeakPolarHBondContact O-CB 3.4Å; F7-E11 PolarHBondContact O-N 2.92Å; F7-I79 HydrophobicContact CE2-CG2 4.08Å; F7-I79 HydrophobicContact CZ-CG2 4.17Å; F7-W83 VanDerWaalsContact CA-CZ3 3.47Å; F7-W83 HydrophobicContact CB-CD2 4.36Å; F7-W83 HydrophobicContact CB-CE3 4.09Å; F7-W83 HydrophobicContact CB-CH2 3.87Å; F7-W83 HydrophobicContact CB-CZ2 4.14Å; F7-W83 HydrophobicContact CB-CZ3 3.84Å; F7-W83 HydrophobicContact CD2-CB 4.23Å; F7-W83 AromaticContact CD2-CD2 3.6Å; F7-W83 HydrophobicContact CD2-CD2 3.6Å; F7-W83 AromaticContact CD2-CE2 3.91Å; F7-W83 AromaticContact CD2-CE3 3.95Å; F7-W83 HydrophobicContact CD2-CE3 3.95Å; F7-W83 AromaticContact CD2-CG 3.71Å; F7-W83 HydrophobicContact CD2-CG 3.71Å; F7-W83 HydrophobicContact CE2-CB 4.31Å; F7-W83 HydrophobicContact CE2-CD2 4.46Å; F7-W83 HydrophobicContact CE2-CG 4.11Å; F7-W83 HydrophobicContact CG-CD2 4.47Å; F7-W83 VanDerWaalsContact N-CZ3 3.3Å
8H46.6Very low43Very low109 Ų10985.3 Ų85.351%0.50543%0.431SS..Hα-helixtrans-61.3-30.3174.5-88.2-43.5000112.9N4 E11 K12N4-H8 PolarHBondContact O-N 2.99Å; N4-H8 VanDerWaalsContact O-N 3.11Å; H8-E11 IonicContact CE1-OE2 3.49Å; H8-E11 PolarHBondContact CE1-OE2 3.26Å; H8-E11 IonicContact CG-OE2 3.89Å; H8-E11 IonicContact ND1-OE2 2.76Å; H8-E11 PolarHBondContact ND1-OE2 2.92Å; H8-K12 WeakPolarHBondContact O-CB 3.03Å; H8-K12 WeakPolarHBondContact O-CG 3.37Å; H8-K12 PolarHBondContact O-N 3.21Å
9L50.1Low42.7Very low18 Ų1882.7 Ų82.79%0.09442%0.421CS..Hα-helixtrans-68.8-47.9176.6-154.793.9000111.5V5 L6 F7 E11 K12 V13 F23 L27V5-L9 WeakPolarHBondContact O-CB 3.47Å; V5-L9 PolarHBondContact O-N 3.11Å; L6-L9 HydrophobicContact CD1-CD2 4.5Å; L6-L9 WeakPolarHBondContact O-CB 3.45Å; L6-L9 PolarHBondContact O-N 3.13Å; F7-L9 PolarHBondContact O-N 3Å; L9-E11 VanDerWaalsContact C-N 3.32Å; L9-K12 PolarHBondContact O-N 2.86Å; L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.47Å; L9-F23 HydrophobicContact CD1-CD1 3.84Å; L9-F23 HydrophobicContact CD1-CE1 4.09Å; L9-L27 HydrophobicContact CD2-CD1 4.49Å; L9-L27 HydrophobicContact CD2-CD2 4.35Å; L9-L27 HydrophobicContact CD2-CG 4.33Å
10V53.7Low42.2Very low14 Ų1486.7 Ų86.79%0.08544%0.438CS..Hα-helixtrans-62.5-42.2176.3172.60000110.3L6 F7 L14 I79 V82 L86L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 2.68Å; F7-V10 PolarHBondContact O-N 2.97Å; V10-L14 HydrophobicContact CG1-CD1 3.73Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 VanDerWaalsContact O-CB 3.29Å; V10-L14 WeakPolarHBondContact O-CB 3.18Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.42Å; V10-L14 PolarHBondContact O-N 3.07Å; V10-I79 HydrophobicContact CG1-CG2 4.45Å; V10-V82 HydrophobicContact CG1-CG1 3.91Å; V10-L86 HydrophobicContact CG1-CD1 4.2Å; V10-L86 HydrophobicContact CG2-CD1 3.5Å; V10-L86 VanDerWaalsContact CG2-CD1 3.5Å
11E46.4Very low42Very low37 Ų3789.6 Ų89.617%0.17345%0.454CS..Hα-helixtrans-58.4-50.5172.5175.4176.3-136.500111.8F7 H8 L9 V13 L14 L15 I79F7-E11 WeakPolarHBondContact O-CB 3.4Å; F7-E11 PolarHBondContact O-N 2.92Å; H8-E11 IonicContact CE1-OE2 3.49Å; H8-E11 PolarHBondContact CE1-OE2 3.26Å; H8-E11 IonicContact CG-OE2 3.89Å; H8-E11 IonicContact ND1-OE2 2.76Å; H8-E11 PolarHBondContact ND1-OE2 2.92Å; L9-E11 VanDerWaalsContact C-N 3.32Å; E11-V13 PolarHBondContact O-N 2.93Å; E11-L14 PolarHBondContact O-N 2.86Å; E11-L15 HydrophobicContact CG-CD1 3.6Å; E11-L15 HydrophobicContact CG-CG 4.41Å; E11-L15 VanDerWaalsContact O-CB 3.27Å; E11-L15 WeakPolarHBondContact O-CB 3.39Å; E11-L15 VanDerWaalsContact O-CG 3.23Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 2.88Å; E11-I79 HydrophobicContact CB-CD1 4.2Å; E11-I79 HydrophobicContact CB-CG2 4.28Å; E11-I79 HydrophobicContact CG-CD1 3.99Å
12K46.9Very low41.6Very low116 Ų11686 Ų8650%0.50445%0.451SS..Hα-helixtrans-63.5-41.1179.1-81.3-168176.9-171.20113.1H8 L9 L15 G16 F17H8-K12 WeakPolarHBondContact O-CB 3.03Å; H8-K12 WeakPolarHBondContact O-CG 3.37Å; H8-K12 PolarHBondContact O-N 3.21Å; L9-K12 PolarHBondContact O-N 2.86Å; K12-L15 PolarHBondContact O-N 2.87Å; K12-G16 PolarHBondContact O-N 2.94Å; K12-G16 VanDerWaalsContact O-N 3.13Å; K12-F17 HydrophobicContact CB-CB 4.19Å; K12-F17 HydrophobicContact CG-CB 4.39Å; K12-F17 PolarHBondContact O-N 2.71Å
13V50.6Low41.7Very low72 Ų7285.5 Ų85.544%0.43644%0.444SS..Hα-helixtrans-65.9-43.1177171.60000110.9L9 E11 G16 L27L9-V13 WeakPolarHBondContact O-CB 3.29Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.47Å; E11-V13 PolarHBondContact O-N 2.93Å; V13-G16 PolarHBondContact O-N 2.87Å; V13-L27 HydrophobicContact CG2-CD1 4.37Å
14L47.2Very low41.7Very low64 Ų6480.1 Ų80.134%0.33543%0.429SS..Hα-helixtrans-72.4-29.6178.5-73173000113.1V10 E11 G16 I79 V82V10-L14 HydrophobicContact CG1-CD1 3.73Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 VanDerWaalsContact O-CB 3.29Å; V10-L14 WeakPolarHBondContact O-CB 3.18Å; V10-L14 VanDerWaalsContact O-CG 3.29Å; V10-L14 WeakPolarHBondContact O-CG 3.42Å; V10-L14 PolarHBondContact O-N 3.07Å; E11-L14 PolarHBondContact O-N 2.86Å; L14-G16 VanDerWaalsContact C-N 3.29Å; L14-I79 HydrophobicContact CB-CD1 4.49Å; L14-I79 HydrophobicContact CB-CG1 3.95Å; L14-I79 HydrophobicContact CD1-CB 4.19Å; L14-I79 HydrophobicContact CD1-CG1 3.53Å; L14-I79 HydrophobicContact CG-CG1 4.38Å; L14-V82 HydrophobicContact CD1-CB 4.23Å; L14-V82 HydrophobicContact CD1-CG1 4.27Å; L14-V82 HydrophobicContact CD1-CG2 4.23Å
15L40.5Very low41.5Very low80 Ų8078.5 Ų78.542%0.41943%0.427SS..THydrogen-bonded Turntrans-81.7-3.1173.2-68.7172.1000113.6E11 K12 F17 T75 I79E11-L15 HydrophobicContact CG-CD1 3.6Å; E11-L15 HydrophobicContact CG-CG 4.41Å; E11-L15 VanDerWaalsContact O-CB 3.27Å; E11-L15 WeakPolarHBondContact O-CB 3.39Å; E11-L15 VanDerWaalsContact O-CG 3.23Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 2.88Å; K12-L15 PolarHBondContact O-N 2.87Å; L15-F17 HydrophobicContact CB-CD2 3.87Å; L15-F17 HydrophobicContact CB-CE2 4Å; L15-T75 HydrophobicContact CD2-CG2 3.65Å; L15-I79 HydrophobicContact CG-CD1 4.38Å
16G35.3Very low41.1Very low52 Ų5277.9 Ų77.954%0.53642%0.421SS..THydrogen-bonded Turntrans81.921174.200000115.7K12 V13 L14K12-G16 PolarHBondContact O-N 2.94Å; K12-G16 VanDerWaalsContact O-N 3.13Å; V13-G16 PolarHBondContact O-N 2.87Å; L14-G16 VanDerWaalsContact C-N 3.29Å
17F30.9Very low40.8Very low130 Ų13079.1 Ų79.157%0.5743%0.427SS*.PPolyproline II helixtrans-78.6142.5174.5-74.3-84.6000112.1K12 L15 C19K12-F17 HydrophobicContact CB-CB 4.19Å; K12-F17 HydrophobicContact CG-CB 4.39Å; K12-F17 PolarHBondContact O-N 2.71Å; L15-F17 HydrophobicContact CB-CD2 3.87Å; L15-F17 HydrophobicContact CB-CE2 4Å; F17-C19 PolarHBondContact O-N 2.91Å
18Q33.4Very low40.2Very low156 Ų15678.2 Ų78.273%0.72943%0.434SS*.PPolyproline II helixtrans-64125.9174.6-78.2-177-35.300110.9
19C38.7Very low39.5Very low36 Ų3679.6 Ų79.624%0.24344%0.438CS..PPolyproline II helixtrans-102.7138.8162.5-62.60000108.8F17 F23F17-C19 PolarHBondContact O-N 2.91Å; C19-F23 HydrophobicContact CB-CB 4.19Å
20E32.4Very low38.7Very low161 Ų16182.5 Ų82.575%0.75245%0.453SS*.PPolyproline II helixtrans-60155.2178.4-71.1-167.6160.600112.9G22 F23E20-G22 PolarHBondContact O-N 2.9Å; E20-F23 PolarHBondContact O-N 3.31Å
21L36.6Very low37.6Very low149 Ų14984.2 Ų84.278%0.7847%0.474SS*.Hα-helixtrans-49.2-35.7-173.4-110.488.8000113.8F23 T24L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.92Å; L21-T24 PolarHBondContact O-OG1 3.39Å
22G31.9Very low36.6Very low58 Ų5888.4 Ų88.460%0.59850%0.497SS*.Hα-helixtrans-68.2-23.2179.500000114.9E20 S25E20-G22 PolarHBondContact O-N 2.9Å; G22-S25 WeakPolarHBondContact O-CB 3.47Å
23F37.8Very low35.6Very low91 Ų9185.8 Ų85.840%0.39949%0.494SS..Hα-helixtrans-86.3-25.8-173.6-93.9-91.8000114.1M1 L9 C19 E20 L21 S25 L26 L27M1-F23 HydrophobicContact CE-CE1 4.33Å; L9-F23 HydrophobicContact CD1-CD1 3.84Å; L9-F23 HydrophobicContact CD1-CE1 4.09Å; C19-F23 HydrophobicContact CB-CB 4.19Å; E20-F23 PolarHBondContact O-N 3.31Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 2.92Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.17Å; F23-L26 HydrophobicContact CD1-CD2 4.45Å; F23-L26 VanDerWaalsContact O-CB 3.28Å; F23-L26 WeakPolarHBondContact O-CB 3.34Å; F23-L26 PolarHBondContact O-N 3.27Å; F23-L26 VanDerWaalsContact O-N 3.1Å; F23-L27 PolarHBondContact O-N 2.98Å
24T39.3Very low34.5Very low60 Ų6091.9 Ų91.937%0.36851%0.511SS..Hα-helixtrans-68.3-30.9173.460.10000112.1L21 L26 L27 G28L21-T24 PolarHBondContact O-OG1 3.39Å; T24-L26 PolarHBondContact O-N 3.02Å; T24-L27 PolarHBondContact O-N 3.25Å; T24-G28 PolarHBondContact O-N 2.91Å
25S35.8Very low33.4Very low78 Ų7894.8 Ų94.855%0.54553%0.531SS..Hα-helixtrans-58.3-37.1168.7-177.50000111.4G22 F23 G28 F29G22-S25 WeakPolarHBondContact O-CB 3.47Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.17Å; S25-G28 CarbonylContact O-C 3.34Å; S25-G28 PolarHBondContact O-N 2.87Å; S25-F29 WeakPolarHBondContact O-CB 3.2Å; S25-F29 PolarHBondContact O-N 3.42Å
26L34.9Very low32.5Very low56 Ų56100.1 Ų100.129%0.29355%0.554SS.*Hα-helixtrans-68.2-39.1178.6-16680000112.9M1 F23 T24 G28 F29 L30M1-L26 HydrophobicContact CE-CD2 3.13Å; M1-L26 HydrophobicContact SD-CD2 3.69Å; F23-L26 HydrophobicContact CD1-CD2 4.45Å; F23-L26 VanDerWaalsContact O-CB 3.28Å; F23-L26 WeakPolarHBondContact O-CB 3.34Å; F23-L26 PolarHBondContact O-N 3.27Å; F23-L26 VanDerWaalsContact O-N 3.1Å; T24-L26 PolarHBondContact O-N 3.02Å; L26-G28 VanDerWaalsContact C-N 3.32Å; L26-F29 PolarHBondContact O-N 3.1Å; L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 2.85Å
27L39.2Very low32Very low70 Ų70107.9 Ų107.937%0.36657%0.573SS.*Hα-helixtrans-65.9-37.8172.2-77.6164.9000111.2L9 V13 F23 T24 G31L9-L27 HydrophobicContact CD2-CD1 4.49Å; L9-L27 HydrophobicContact CD2-CD2 4.35Å; L9-L27 HydrophobicContact CD2-CG 4.33Å; V13-L27 HydrophobicContact CG2-CD1 4.37Å; F23-L27 PolarHBondContact O-N 2.98Å; T24-L27 PolarHBondContact O-N 3.25Å; L27-G31 PolarHBondContact O-N 3.21Å
28G36.9Very low31.7Very low36 Ų36104.6 Ų104.637%0.37158%0.575SS.*Hα-helixtrans-64.8-37.5170.600000113.2T24 S25 L26 G31 N32T24-G28 PolarHBondContact O-N 2.91Å; S25-G28 CarbonylContact O-C 3.34Å; S25-G28 PolarHBondContact O-N 2.87Å; L26-G28 VanDerWaalsContact C-N 3.32Å; G28-G31 PolarHBondContact O-N 2.99Å; G28-N32 VanDerWaalsContact O-CB 3.27Å; G28-N32 WeakPolarHBondContact O-CB 3.38Å; G28-N32 PolarHBondContact O-N 3.12Å; G28-N32 PolarHBondContact O-ND2 2.87Å
29F30.4Very low31.3Very low137 Ų137105.7 Ų105.760%0.60158%0.58SS**Hα-helixtrans-72.3-41.7178.4-149.2-87000111.1S25 L26 G31 N32 S33S25-F29 WeakPolarHBondContact O-CB 3.2Å; S25-F29 PolarHBondContact O-N 3.42Å; L26-F29 PolarHBondContact O-N 3.1Å; F29-G31 VanDerWaalsContact C-N 3.31Å; F29-G31 PolarHBondContact O-N 3.25Å; F29-N32 PolarHBondContact O-N 3.46Å; F29-S33 WeakPolarHBondContact O-CB 3.25Å; F29-S33 PolarHBondContact O-N 3.14Å; F29-S33 PolarHBondContact O-OG 3.49Å
30L33.6Very low30.7Very low79 Ų79109.4 Ų109.441%0.41460%0.604SS.*Hα-helixtrans-64.3-36.5172.7-72.5167.4000111.5L6 L26L6-L30 HydrophobicContact CD1-CD1 4.25Å; L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 VanDerWaalsContact O-CG 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 2.85Å
31G31.9Very low30.5Very low50 Ų50108.4 Ų108.452%0.51560%0.602SS.*Hα-helixtrans-69.5-34.8171.600000114.1L27 G28 F29L27-G31 PolarHBondContact O-N 3.21Å; G28-G31 PolarHBondContact O-N 2.99Å; F29-G31 VanDerWaalsContact C-N 3.31Å; F29-G31 PolarHBondContact O-N 3.25Å
32N25.3Very low30Very low125 Ų125107.7 Ų107.767%0.66860%0.598SS**Hα-helixtrans-79.9-23.7176.8-77-17.4000113.2G28 F29 Y34G28-N32 VanDerWaalsContact O-CB 3.27Å; G28-N32 WeakPolarHBondContact O-CB 3.38Å; G28-N32 PolarHBondContact O-N 3.12Å; G28-N32 PolarHBondContact O-ND2 2.87Å; F29-N32 PolarHBondContact O-N 3.46Å; N32-Y34 VanDerWaalsContact C-N 3.28Å; N32-Y34 PolarHBondContact O-N 3.35Å
33S25.8Very low29.7Very low62 Ų62111.8 Ų111.843%0.43461%0.605SS.*SBendtrans-76.2-15.1-179.7-55.40000113.2F29F29-S33 WeakPolarHBondContact O-CB 3.25Å; F29-S33 PolarHBondContact O-N 3.14Å; F29-S33 PolarHBondContact O-OG 3.49Å
34Y26.2Very low29Very low200 Ų200117 Ų11778%0.78463%0.628SS**  trans-12568.2179-78.4-86.7000110.4N32 Q36N32-Y34 VanDerWaalsContact C-N 3.28Å; N32-Y34 PolarHBondContact O-N 3.35Å; Y34-Q36 PolarHBondContact O-N 2.75Å; Y34-Q36 VanDerWaalsContact O-N 3.11Å
35T23.7Very low28.3Very low124 Ų124120.4 Ų120.476%0.76164%0.641SS**  trans-76.388.6169.946.10000110
36Q23.2Very low27.8Very low192 Ų192123.2 Ų123.290%0.89765%0.65SS**  trans-102.4122.9154.3-152.6171.819.100108.8Y34 G38Y34-Q36 PolarHBondContact O-N 2.75Å; Y34-Q36 VanDerWaalsContact O-N 3.11Å; Q36-G38 PolarHBondContact O-N 2.97Å
37K23.2Very low27.5Very low215 Ų215131.7 Ų131.794%0.93568%0.678SS**SBendtrans-38.9122.7-168.7-74.9175.3172.4176.50114.5
38G25.6Very low27Very low61 Ų61135.3 Ų135.363%0.62970%0.698SS**SBendtrans108.864.9147.700000116.1Q36Q36-G38 PolarHBondContact O-N 2.97Å
39H25.6Very low26.8Very low180 Ų180140.3 Ų140.383%0.83371%0.712SS**  trans157.392.9136.4-77.6-52.9000109.6I41H39-I41 PolarHBondContact O-N 3.16Å
40P25.7Very low26.7Very low114 Ų114145 Ų14574%0.7473%0.725SS**  trans-69130.1176.927.2-31.6000110.9I42P40-I42 PolarHBondContact O-N 3.3Å
41I28.3Very low26.4Very low139 Ų139148.7 Ų148.771%0.71375%0.746SS**  trans-79.3104.5168.4-60.2175.2000107.4H39 L43H39-I41 PolarHBondContact O-N 3.16Å; I41-L43 PolarHBondContact O-N 3.21Å
42I25.1Very low26Very low135 Ų135154.9 Ų154.969%0.69275%0.753SS**  trans-89.1105.1176.2-58.3175.4000108.8P40 K44P40-I42 PolarHBondContact O-N 3.3Å; I42-K44 HydrophobicContact CG2-CG 4.43Å; I42-K44 PolarHBondContact O-N 2.64Å
43L26.8Very low26.1Very low144 Ų144154.1 Ų154.175%0.75475%0.748SS**  trans-75.397.8166.7-65.1171.3000108.7I41 M45I41-L43 PolarHBondContact O-N 3.21Å; L43-M45 PolarHBondContact O-N 3.05Å
44K22.6Very low25.9Very low200 Ų200159.7 Ų159.787%0.8776%0.76SS**  trans-70.7113176.3-101.6-175.9176178.60110.6I42I42-K44 HydrophobicContact CG2-CG 4.43Å; I42-K44 PolarHBondContact O-N 2.64Å
45M24Very low25.9Very low132 Ų132155.5 Ų155.565%0.6576%0.755SS**  trans-87.7123.3168.9-64-175.7109.400110.1L43L43-M45 PolarHBondContact O-N 3.05Å
46N25.7Very low25.8Very low136 Ų136156.7 Ų156.773%0.72775%0.752SS**  trans-86.3115.8171-164.2-10.9000109.2N48N46-N48 PolarHBondContact O-N 2.77Å
47R27.9Very low25.9Very low234 Ų234154.2 Ų154.288%0.88374%0.743SS**THydrogen-bonded Turntrans-70.8-9.7-171.6-79.6-175.4174.3-179.6-1.7115
48N30.3Very low25.7Very low147 Ų147154.8 Ų154.879%0.78674%0.74SS**THydrogen-bonded Turntrans-101.12.5-168.9-74.5-0.1000116.3N46N46-N48 PolarHBondContact O-N 2.77Å
49E31.1Very low25.6Very low141 Ų141157.3 Ų157.366%0.65974%0.742SS**  trans-112.685.6170.2-70.7-166.1-176.600110.9N51E49-N51 PolarHBondContact O-N 3.14Å
50R28.3Very low25.4Very low236 Ų236153.5 Ų153.589%0.89174%0.736SS**THydrogen-bonded Turntrans-58.4122163-71.7175.6175.2160.8-2.6107.8
51N28.8Very low25.2Very low156 Ų156159.6 Ų159.683%0.83474%0.744SS**THydrogen-bonded Turntrans84.314.5166.8-58.1-12.3000120.6E49E49-N51 PolarHBondContact O-N 3.14Å
52R22.6Very low25Very low179 Ų179156.6 Ų156.668%0.67574%0.735SS**  trans-136.882163.7-83.9-174.2166.5155.1-1.3112.6R54R52-R54 PolarHBondContact O-N 2.86Å
53I27.2Very low25.1Very low109 Ų109159.2 Ų159.256%0.55974%0.742SS**  trans-75.277.4157.1-53.4175.3000107.1
54R21.6Very low25Very low180 Ų180159.2 Ų159.268%0.67974%0.743SS**  trans-79.4113.9149.7-88.6-177.4172.7157.9-1.8104.8R52 Q56R52-R54 PolarHBondContact O-N 2.86Å; R54-Q56 HydrophobicContact CB-CG 4.18Å; R54-Q56 PolarHBondContact O-N 2.9Å
55T26.2Very low25.2Very low112 Ų112152.4 Ų152.469%0.68772%0.72SS**  trans-57.786.5152.4150000106.7I57T55-I57 PolarHBondContact O-N 3.08Å
56Q21.4Very low25.3Very low149 Ų149149.1 Ų149.170%0.69671%0.714SS**  trans-72.781.9162.5-70.4-149.512.900106.5R54 R58R54-Q56 HydrophobicContact CB-CG 4.18Å; R54-Q56 PolarHBondContact O-N 2.9Å; Q56-R58 PolarHBondContact O-N 3.48Å
57I24.8Very low25.3Very low139 Ų139147.8 Ų147.871%0.71372%0.715SS**  trans-57.7106.3144.2-60.8175.7000103.4T55 V59T55-I57 PolarHBondContact O-N 3.08Å; I57-V59 HydrophobicContact CG2-CG2 3.78Å; I57-V59 PolarHBondContact O-N 3.42Å
58R19.3Very low25.3Very low228 Ų228139.8 Ų139.886%0.8669%0.692SS**  trans-69.573.8171.7-144.4-178.8-162.5168.32.6106.4Q56 S60Q56-R58 PolarHBondContact O-N 3.48Å; R58-S60 VanDerWaalsContact C-N 3.33Å; R58-S60 PolarHBondContact O-N 3.29Å; R58-S60 VanDerWaalsContact O-N 3.14Å
59V25.1Very low25.1Very low113 Ų113138 Ų13869%0.68569%0.687SS**  trans-65.4107.1153.8-176.40000102.6I57 R61I57-V59 HydrophobicContact CG2-CG2 3.78Å; I57-V59 PolarHBondContact O-N 3.42Å; V59-R61 PolarHBondContact O-N 3.18Å
60S21.4Very low25Very low101 Ų101139.4 Ų139.471%0.70669%0.686SS**  trans-45.5109.4167.421.50000106.9R58 S62R58-S60 VanDerWaalsContact C-N 3.33Å; R58-S60 PolarHBondContact O-N 3.29Å; R58-S60 VanDerWaalsContact O-N 3.14Å; S60-S62 PolarHBondContact O-N 3.12Å
61R20.7Very low25.2Very low242 Ų242133 Ų13391%0.91368%0.677SS**  trans-64.979.3160.3-82.5-179.5168.8176.6-5.4105.7V59 K63V59-R61 PolarHBondContact O-N 3.18Å; R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 3.46Å; R61-K63 VanDerWaalsContact O-N 3.07Å
62S24.4Very low25.8Very low75 Ų75127.7 Ų127.752%0.52465%0.653SS.*  trans-60.5106.9150.3-177.70000104.6S60 N64S60-S62 PolarHBondContact O-N 3.12Å; S62-N64 PolarHBondContact O-N 3.38Å; S62-N64 PolarHBondContact OG-O 2.86Å
63K26.4Very low26.7Very low191 Ų191120.7 Ų120.783%0.8363%0.627SS**SBendtrans-58.3110162-74.4179.7175.2179.80104.3R61R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 3.46Å; R61-K63 VanDerWaalsContact O-N 3.07Å
64N25.2Very low27.6Very low144 Ų144118.4 Ų118.477%0.7762%0.619SS**SBendtrans88.289.5-172.6-48.6-13.4000113.7S62S62-N64 PolarHBondContact O-N 3.38Å; S62-N64 PolarHBondContact OG-O 2.86Å
65S26.8Very low28.8Very low57 Ų57113.6 Ų113.640%0.39961%0.609SS.*  trans-163.1126.6138.145.10000106.4S67S65-S67 PolarHBondContact O-N 3.39Å
66A26.3Very low29.8Very low63 Ų63111.8 Ų111.852%0.52160%0.595SS.*  trans-49.2126-17700000110.1V68A66-V68 VanDerWaalsContact C-N 3.34Å; A66-V68 PolarHBondContact O-N 2.93Å
67S25.5Very low31.2Very low107 Ų107105.9 Ų105.975%0.74857%0.568SS**  trans-59.398.8169.351.30000108.1S65 T69S65-S67 PolarHBondContact O-N 3.39Å; S67-T69 VanDerWaalsContact C-N 3.34Å; S67-T69 PolarHBondContact O-N 3.05Å
68V28.6Very low32.4Very low66 Ų66100.5 Ų100.540%0.454%0.54SS..  trans-56.9102.9166.5176.50000106.4A66 R70A66-V68 VanDerWaalsContact C-N 3.34Å; A66-V68 PolarHBondContact O-N 2.93Å; V68-R70 PolarHBondContact O-N 3.19Å
69T24.6Very low33.9Very low109 Ų10989.7 Ų89.767%0.66950%0.499SS*.  trans-57.7106.8172.225.40000107.9S67 S71S67-T69 VanDerWaalsContact C-N 3.34Å; S67-T69 PolarHBondContact O-N 3.05Å; T69-S71 PolarHBondContact O-N 3.11Å; T69-S71 PolarHBondContact O-OG 3.23Å
70R30.5Very low35.2Very low171 Ų17190.5 Ų90.565%0.64549%0.49SS*.  trans-70.150.5-179.8-157.6-172-164.7167.715.4111.6V68 S72 H78V68-R70 PolarHBondContact O-N 3.19Å; R70-S72 PolarHBondContact O-N 3.19Å; R70-H78 VanDerWaalsContact CZ-CE1 3.43Å; R70-H78 PolarHBondContact NH2-CE1 3.03Å
71S32.5Very low36.6Very low101 Ų10186.1 Ų86.171%0.70646%0.459SS*.THydrogen-bonded Turntrans-85.3-0.2-163.954.60000116.2T69T69-S71 PolarHBondContact O-N 3.11Å; T69-S71 PolarHBondContact O-OG 3.23Å
72S40.7Very low38.1Very low46 Ų4675 Ų7532%0.32242%0.418SS..THydrogen-bonded Turntrans-95.4-21.3173.950.30000115.2R70 S133R70-S72 PolarHBondContact O-N 3.19Å; S72-S133 WeakPolarHBondContact CB-OG 3.1Å; S72-S133 PolarHBondContact OG-O 3.46Å; S72-S133 PolarHBondContact OG-OG 3.22Å
73F40.6Very low39.4Very low31 Ų3173 Ų7314%0.13640%0.399CS..SBendtrans-126.2120.1178.4-66.7-85.9000110.8D77 W95 A136 A140 P472F73-D77 HydrophobicContact CB-CB 4.34Å; F73-D77 HydrophobicContact CD1-CB 4.03Å; F73-W95 HydrophobicContact CD2-CZ2 4.45Å; F73-A136 HydrophobicContact CD2-CB 3.91Å; F73-A136 HydrophobicContact CE2-CB 3.42Å; F73-A136 VanDerWaalsContact CE2-CB 3.42Å; F73-A136 WeakPolarHBondContact CE2-O 3.32Å; F73-A136 HydrophobicContact CZ-CB 4.43Å; F73-A136 VanDerWaalsContact CZ-O 3.31Å; F73-A136 WeakPolarHBondContact CZ-O 3.4Å; F73-A140 HydrophobicContact CE1-CB 3.64Å; F73-A140 HydrophobicContact CZ-CB 3.42Å; F73-A140 VanDerWaalsContact CZ-CB 3.42Å; F73-P472 HydrophobicContact CE1-CB 4.28Å
74T47.7Very low40.6Very low62 Ų6267.2 Ų67.238%0.3838%0.377SS..  trans-70.7158.8177.862.20000109.9L76 D77 H78T74-L76 PolarHBondContact O-N 3.13Å; T74-L76 WeakPolarHBondContact OG1-CB 3.29Å; T74-D77 PolarHBondContact N-OD2 2.88Å; T74-D77 PolarHBondContact O-N 2.84Å; T74-D77 VanDerWaalsContact OG1-CG 3.32Å; T74-D77 PolarHBondContact OG1-N 3.29Å; T74-D77 PolarHBondContact OG1-OD2 3.36Å; T74-H78 PolarHBondContact O-N 3.34Å
75T45.4Very low41.8Very low78 Ų7861.8 Ų61.848%0.47935%0.347SS..Hα-helixtrans-52.4-30.5169.8-430000111.5L15 H78 I79L15-T75 HydrophobicContact CD2-CG2 3.65Å; T75-H78 WeakPolarHBondContact O-CB 3.46Å; T75-H78 PolarHBondContact O-N 2.83Å; T75-I79 HydrophobicContact CG2-CD1 4.09Å; T75-I79 WeakPolarHBondContact O-CD1 3.39Å; T75-I79 WeakPolarHBondContact O-CG1 3.33Å; T75-I79 PolarHBondContact O-N 2.81Å
76L47.3Very low42.8Very low74 Ų7462.1 Ų62.139%0.38734%0.344SS..Hα-helixtrans-64.7-34.6174.8-74.5167.2000113.8T74 I79 R80T74-L76 PolarHBondContact O-N 3.13Å; T74-L76 WeakPolarHBondContact OG1-CB 3.29Å; L76-I79 HydrophobicContact CD2-CD1 4.38Å; L76-I79 PolarHBondContact O-N 3.35Å; L76-R80 WeakPolarHBondContact O-CB 3.32Å; L76-R80 VanDerWaalsContact O-CG 3.26Å; L76-R80 WeakPolarHBondContact O-CG 3.37Å; L76-R80 PolarHBondContact O-N 2.93Å
77D51.4Low43.7Very low25 Ų2565 Ų6513%0.13435%0.345CS..Hα-helixtrans-71.7-36.5179.9-59-51.2000110.8F73 T74 R80 S81F73-D77 HydrophobicContact CB-CB 4.34Å; F73-D77 HydrophobicContact CD1-CB 4.03Å; T74-D77 PolarHBondContact N-OD2 2.88Å; T74-D77 PolarHBondContact O-N 2.84Å; T74-D77 VanDerWaalsContact OG1-CG 3.32Å; T74-D77 PolarHBondContact OG1-N 3.29Å; T74-D77 PolarHBondContact OG1-OD2 3.36Å; D77-R80 PolarHBondContact O-N 2.94Å; D77-R80 IonicContact OD1-NH1 3.56Å; D77-S81 PolarHBondContact O-N 2.99Å
78H50.6Low44.7Very low27 Ų2763.3 Ų63.313%0.12532%0.324CS..Hα-helixtrans-62.8-49.5168.2-79.2-124000111.4R70 T74 T75 R80 S81 V82 W95R70-H78 VanDerWaalsContact CZ-CE1 3.43Å; R70-H78 PolarHBondContact NH2-CE1 3.03Å; T74-H78 PolarHBondContact O-N 3.34Å; T75-H78 WeakPolarHBondContact O-CB 3.46Å; T75-H78 PolarHBondContact O-N 2.83Å; H78-R80 VanDerWaalsContact C-N 3.28Å; H78-R80 PolarHBondContact O-N 3.26Å; H78-S81 PolarHBondContact O-N 3.41Å; H78-V82 VanDerWaalsContact O-CG2 3.29Å; H78-V82 WeakPolarHBondContact O-CG2 3.37Å; H78-V82 PolarHBondContact O-N 2.98Å; H78-W95 AromaticContact CD2-NE1 3.98Å; H78-W95 AromaticContact CE1-CD1 3.09Å; H78-W95 AromaticContact CE1-NE1 3.19Å; H78-W95 PolarHBondContact CE1-NE1 3.1Å; H78-W95 AromaticContact ND1-CD1 3.9Å; H78-W95 AromaticContact NE2-CD1 3.54Å; H78-W95 AromaticContact NE2-NE1 3.08Å; H78-W95 PolarHBondContact NE2-NE1 2.82Å
79I49.6Very low45.1Very low0 Ų063.6 Ų63.60%034%0.341CS..Hα-helixtrans-56.5-43.4176.2-69.1158.3000110.6F7 V10 E11 L14 L15 T75 L76 V82 W83F7-I79 HydrophobicContact CE2-CG2 4.08Å; F7-I79 HydrophobicContact CZ-CG2 4.17Å; V10-I79 HydrophobicContact CG1-CG2 4.45Å; E11-I79 HydrophobicContact CB-CD1 4.2Å; E11-I79 HydrophobicContact CB-CG2 4.28Å; E11-I79 HydrophobicContact CG-CD1 3.99Å; L14-I79 HydrophobicContact CB-CD1 4.49Å; L14-I79 HydrophobicContact CB-CG1 3.95Å; L14-I79 HydrophobicContact CD1-CB 4.19Å; L14-I79 HydrophobicContact CD1-CG1 3.53Å; L14-I79 HydrophobicContact CG-CG1 4.38Å; L15-I79 HydrophobicContact CG-CD1 4.38Å; T75-I79 HydrophobicContact CG2-CD1 4.09Å; T75-I79 WeakPolarHBondContact O-CD1 3.39Å; T75-I79 WeakPolarHBondContact O-CG1 3.33Å; T75-I79 PolarHBondContact O-N 2.81Å; L76-I79 HydrophobicContact CD2-CD1 4.38Å; L76-I79 PolarHBondContact O-N 3.35Å; I79-V82 PolarHBondContact O-N 3.4Å; I79-W83 WeakPolarHBondContact O-CB 3.17Å; I79-W83 PolarHBondContact O-N 3.42Å
80R52.6Low46.1Very low130 Ų13064.9 Ų64.949%0.49133%0.333SS..Hα-helixtrans-63.8-42.3177-78.9173.3-176.6168-3.9112.5L76 D77 H78 W83 N84L76-R80 WeakPolarHBondContact O-CB 3.32Å; L76-R80 VanDerWaalsContact O-CG 3.26Å; L76-R80 WeakPolarHBondContact O-CG 3.37Å; L76-R80 PolarHBondContact O-N 2.93Å; D77-R80 PolarHBondContact O-N 2.94Å; D77-R80 IonicContact OD1-NH1 3.56Å; H78-R80 VanDerWaalsContact C-N 3.28Å; H78-R80 PolarHBondContact O-N 3.26Å; R80-W83 PolarHBondContact O-N 3.16Å; R80-N84 WeakPolarHBondContact O-CB 3.31Å; R80-N84 VanDerWaalsContact O-CG 3.29Å; R80-N84 PolarHBondContact O-N 3.15Å
81S52.2Low46.6Very low10 Ų1060.4 Ų60.47%0.0733%0.328CS..Hα-helixtrans-64.1-45.1175.6-173.50000111.4D77 H78 W83 N84 Q85 I473D77-S81 PolarHBondContact O-N 2.99Å; H78-S81 PolarHBondContact O-N 3.41Å; S81-W83 VanDerWaalsContact C-N 3.3Å; S81-W83 PolarHBondContact O-N 3.18Å; S81-N84 PolarHBondContact O-N 3.33Å; S81-Q85 WeakPolarHBondContact O-CB 3.35Å; S81-Q85 VanDerWaalsContact O-CG 3.22Å; S81-Q85 WeakPolarHBondContact O-CG 3.06Å; S81-Q85 PolarHBondContact O-N 3.2Å; S81-I473 WeakPolarHBondContact OG-CD1 3.34Å; S81-I473 WeakPolarHBondContact OG-CG1 3.14Å
82V51Low47.2Very low7 Ų758.8 Ų58.84%0.04231%0.311CS..Hα-helixtrans-61.8-40.7174.7173.80000110.6V10 L14 H78 I79 Q85 L86 I92V10-V82 HydrophobicContact CG1-CG1 3.91Å; L14-V82 HydrophobicContact CD1-CB 4.23Å; L14-V82 HydrophobicContact CD1-CG1 4.27Å; L14-V82 HydrophobicContact CD1-CG2 4.23Å; H78-V82 VanDerWaalsContact O-CG2 3.29Å; H78-V82 WeakPolarHBondContact O-CG2 3.37Å; H78-V82 PolarHBondContact O-N 2.98Å; I79-V82 PolarHBondContact O-N 3.4Å; V82-Q85 PolarHBondContact O-N 3.25Å; V82-L86 HydrophobicContact CG1-CD1 3.84Å; V82-L86 HydrophobicContact CG1-CG 4.32Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 VanDerWaalsContact O-CG 3.25Å; V82-L86 WeakPolarHBondContact O-CG 3.48Å; V82-L86 PolarHBondContact O-N 3.42Å; V82-I92 HydrophobicContact CB-CG2 4.49Å; V82-I92 HydrophobicContact CG1-CD1 3.96Å; V82-I92 HydrophobicContact CG1-CG1 4.03Å; V82-I92 HydrophobicContact CG1-CG2 3.94Å; V82-I92 HydrophobicContact CG2-CG2 3.84Å
83W53.1Low47.8Very low35 Ų3560.5 Ų60.513%0.13331%0.314CS..Hα-helixtrans-65-43.8176.6177.2-107.1000112.3Y3 L6 F7 I79 R80 S81 Q85 L86 K87Y3-W83 HydrophobicContact CD1-CH2 4.48Å; Y3-W83 VanDerWaalsContact O-CH2 3.32Å; Y3-W83 WeakPolarHBondContact O-CH2 3.22Å; L6-W83 HydrophobicContact CB-CH2 4.13Å; L6-W83 HydrophobicContact CB-CZ3 3.96Å; L6-W83 HydrophobicContact CD2-CH2 4.29Å; L6-W83 HydrophobicContact CD2-CZ3 3.97Å; L6-W83 HydrophobicContact CG-CH2 4.4Å; L6-W83 HydrophobicContact CG-CZ3 3.86Å; F7-W83 VanDerWaalsContact CA-CZ3 3.47Å; F7-W83 HydrophobicContact CB-CD2 4.36Å; F7-W83 HydrophobicContact CB-CE3 4.09Å; F7-W83 HydrophobicContact CB-CH2 3.87Å; F7-W83 HydrophobicContact CB-CZ2 4.14Å; F7-W83 HydrophobicContact CB-CZ3 3.84Å; F7-W83 HydrophobicContact CD2-CB 4.23Å; F7-W83 AromaticContact CD2-CD2 3.6Å; F7-W83 HydrophobicContact CD2-CD2 3.6Å; F7-W83 AromaticContact CD2-CE2 3.91Å; F7-W83 AromaticContact CD2-CE3 3.95Å; F7-W83 HydrophobicContact CD2-CE3 3.95Å; F7-W83 AromaticContact CD2-CG 3.71Å; F7-W83 HydrophobicContact CD2-CG 3.71Å; F7-W83 HydrophobicContact CE2-CB 4.31Å; F7-W83 HydrophobicContact CE2-CD2 4.46Å; F7-W83 HydrophobicContact CE2-CG 4.11Å; F7-W83 HydrophobicContact CG-CD2 4.47Å; F7-W83 VanDerWaalsContact N-CZ3 3.3Å; I79-W83 WeakPolarHBondContact O-CB 3.17Å; I79-W83 PolarHBondContact O-N 3.42Å; R80-W83 PolarHBondContact O-N 3.16Å; S81-W83 VanDerWaalsContact C-N 3.3Å; S81-W83 PolarHBondContact O-N 3.18Å; W83-Q85 VanDerWaalsContact C-N 3.3Å; W83-Q85 PolarHBondContact O-N 3Å; W83-L86 PolarHBondContact O-N 2.64Å; W83-K87 WeakPolarHBondContact O-CB 3.43Å; W83-K87 PolarHBondContact O-N 3.42Å
84N49.9Very low48.9Very low68 Ų6865.6 Ų65.636%0.36434%0.336SS..Hα-helixtrans-64-38.3174.9-73.1-15.3000110.6R80 S81 F88 F452R80-N84 WeakPolarHBondContact O-CB 3.31Å; R80-N84 VanDerWaalsContact O-CG 3.29Å; R80-N84 PolarHBondContact O-N 3.15Å; S81-N84 PolarHBondContact O-N 3.33Å; N84-F88 VanDerWaalsContact O-CD2 3.31Å; N84-F88 WeakPolarHBondContact O-CD2 3.37Å; N84-F452 HydrophobicContact CB-CZ 4.46Å; N84-F452 WeakPolarHBondContact O-CZ 3.44Å
85Q52.1Low50.2Low30 Ų3064.3 Ų64.314%0.1433%0.325CS..Hα-helixtrans-64.6-42.5173.5-69.3167.29.700111.8S81 V82 W83 G89 W90 Q93S81-Q85 WeakPolarHBondContact O-CB 3.35Å; S81-Q85 VanDerWaalsContact O-CG 3.22Å; S81-Q85 WeakPolarHBondContact O-CG 3.06Å; S81-Q85 PolarHBondContact O-N 3.2Å; V82-Q85 PolarHBondContact O-N 3.25Å; W83-Q85 VanDerWaalsContact C-N 3.3Å; W83-Q85 PolarHBondContact O-N 3Å; Q85-G89 PolarHBondContact O-N 3.47Å; Q85-W90 PolarHBondContact O-N 3.39Å; Q85-Q93 PolarHBondContact NE2-O 2.84Å
86L47.8Very low51.8Low65 Ų6561.8 Ų61.834%0.3431%0.309SS..Hα-helixtrans-71.1-44.4179.2-74.1171.5000113.5V10 V82 W83 F88 G89 I92V10-L86 HydrophobicContact CG1-CD1 4.2Å; V10-L86 HydrophobicContact CG2-CD1 3.5Å; V10-L86 VanDerWaalsContact CG2-CD1 3.5Å; V82-L86 HydrophobicContact CG1-CD1 3.84Å; V82-L86 HydrophobicContact CG1-CG 4.32Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 VanDerWaalsContact O-CG 3.25Å; V82-L86 WeakPolarHBondContact O-CG 3.48Å; V82-L86 PolarHBondContact O-N 3.42Å; W83-L86 PolarHBondContact O-N 2.64Å; L86-F88 PolarHBondContact O-N 2.78Å; L86-F88 VanDerWaalsContact O-N 3.13Å; L86-G89 PolarHBondContact O-N 2.9Å; L86-G89 VanDerWaalsContact O-N 3.11Å; L86-I92 HydrophobicContact CD2-CD1 4.33Å; L86-I92 HydrophobicContact CD2-CG1 4.15Å; L86-I92 HydrophobicContact CG-CG1 4.39Å
87K44.7Very low53.4Low123 Ų12366.4 Ų66.454%0.53534%0.335SS..Hα-helixtrans-54.7-32.5179.3178.6178.9174.1-174.60111.5W83W83-K87 WeakPolarHBondContact O-CB 3.43Å; W83-K87 PolarHBondContact O-N 3.42Å
88F45.7Very low55Low71 Ų7166.5 Ų66.531%0.31133%0.334SS..THydrogen-bonded Turntrans-113.720-177.3-62.9-85.2000113.2N84 L86 W90 F452N84-F88 VanDerWaalsContact O-CD2 3.31Å; N84-F88 WeakPolarHBondContact O-CD2 3.37Å; L86-F88 PolarHBondContact O-N 2.78Å; L86-F88 VanDerWaalsContact O-N 3.13Å; F88-W90 PolarHBondContact O-NE1 3.25Å; F88-F452 HydrophobicContact CB-CE2 3.54Å; F88-F452 HydrophobicContact CB-CZ 3.86Å; F88-F452 HydrophobicContact CD2-CE1 4.17Å; F88-F452 AromaticContact CD2-CE2 3.94Å; F88-F452 HydrophobicContact CD2-CE2 3.94Å; F88-F452 AromaticContact CD2-CZ 3.29Å; F88-F452 HydrophobicContact CD2-CZ 3.29Å; F88-F452 HydrophobicContact CE2-CE1 4.38Å; F88-F452 AromaticContact CE2-CZ 3.9Å; F88-F452 HydrophobicContact CE2-CZ 3.9Å; F88-F452 AromaticContact CG-CE2 3.96Å; F88-F452 HydrophobicContact CG-CE2 3.96Å; F88-F452 AromaticContact CG-CZ 3.74Å; F88-F452 HydrophobicContact CG-CZ 3.74Å
89G37.5Very low56.6Low72 Ų7268.3 Ų68.374%0.74234%0.344SS*.THydrogen-bonded Turntrans80.224163.400000117.6Q85 L86Q85-G89 PolarHBondContact O-N 3.47Å; L86-G89 PolarHBondContact O-N 2.9Å; L86-G89 VanDerWaalsContact O-N 3.11Å
90W45.3Very low58.1Low136 Ų13672.7 Ų72.752%0.51537%0.365SS..  trans-103.6158.2179.3-65.385.8000113.4Q85 F88 F452Q85-W90 PolarHBondContact O-N 3.39Å; F88-W90 PolarHBondContact O-NE1 3.25Å; W90-F452 AromaticContact CD1-CD2 3.95Å; W90-F452 AromaticContact NE1-CD2 3.89Å
91S41.6Very low59.6Low77 Ų7770.8 Ų70.854%0.53836%0.364SS..  trans-62.2140.6171.152.70000111.3Q93S91-Q93 PolarHBondContact O-N 3.01Å
92I44.6Very low61.2Low68 Ų6870.8 Ų70.835%0.34937%0.365SS..  trans-63.3104.7176.4-57.7178.4000108.3V82 L86 F94V82-I92 HydrophobicContact CB-CG2 4.49Å; V82-I92 HydrophobicContact CG1-CD1 3.96Å; V82-I92 HydrophobicContact CG1-CG1 4.03Å; V82-I92 HydrophobicContact CG1-CG2 3.94Å; V82-I92 HydrophobicContact CG2-CG2 3.84Å; L86-I92 HydrophobicContact CD2-CD1 4.33Å; L86-I92 HydrophobicContact CD2-CG1 4.15Å; L86-I92 HydrophobicContact CG-CG1 4.39Å; I92-F94 HydrophobicContact CG2-CD2 4.32Å; I92-F94 HydrophobicContact CG2-CE1 4.16Å; I92-F94 HydrophobicContact CG2-CE2 3.78Å; I92-F94 HydrophobicContact CG2-CZ 3.69Å
93Q52.5Low63.2Low81 Ų8171.7 Ų71.738%0.37937%0.369SS..  trans-98.9110.4174.7-71.8-172.5-6.600109Q85 S91Q85-Q93 PolarHBondContact NE2-O 2.84Å; S91-Q93 PolarHBondContact O-N 3.01Å
94F64.9Low65.2Low138 Ų13870 Ų7061%0.60536%0.363SS*.PPolyproline II helixtrans-73.4164.9172.5-63.7-81.6000110.9I92I92-F94 HydrophobicContact CG2-CD2 4.32Å; I92-F94 HydrophobicContact CG2-CE1 4.16Å; I92-F94 HydrophobicContact CG2-CE2 3.78Å; I92-F94 HydrophobicContact CG2-CZ 3.69Å
95W74Confident67.5Low36 Ų3669.5 Ų69.514%0.13636%0.356CS..PPolyproline II helixtrans-48.4134.2169.3-83.172.4000110.5F73 H78 F98 F132 F135 A136 P472 I473 P474F73-W95 HydrophobicContact CD2-CZ2 4.45Å; H78-W95 AromaticContact CD2-NE1 3.98Å; H78-W95 AromaticContact CE1-CD1 3.09Å; H78-W95 AromaticContact CE1-NE1 3.19Å; H78-W95 PolarHBondContact CE1-NE1 3.1Å; H78-W95 AromaticContact ND1-CD1 3.9Å; H78-W95 AromaticContact NE2-CD1 3.54Å; H78-W95 AromaticContact NE2-NE1 3.08Å; H78-W95 PolarHBondContact NE2-NE1 2.82Å; W95-F98 HydrophobicContact CE3-CE2 4.1Å; W95-F98 HydrophobicContact CZ3-CE2 4.35Å; W95-F132 HydrophobicContact CE3-CZ 4.12Å; W95-F132 HydrophobicContact CZ3-CE1 4.37Å; W95-F132 HydrophobicContact CZ3-CZ 4.04Å; W95-F135 HydrophobicContact CZ3-CE1 4.24Å; W95-A136 HydrophobicContact CH2-CB 3.53Å; W95-A136 HydrophobicContact CZ2-CB 4.33Å; W95-A136 HydrophobicContact CZ3-CB 4.16Å; W95-P472 WeakPolarHBondContact CH2-O 3.5Å; W95-P472 WeakPolarHBondContact CZ2-O 3.38Å; W95-I473 HydrophobicContact CG-CG2 4.33Å; W95-P474 HydrophobicContact CE3-CG 3.94Å; W95-P474 HydrophobicContact CH2-CG 4.37Å; W95-P474 HydrophobicContact CZ3-CG 3.71Å
96P78.9Confident69.6Low25 Ų2568.1 Ų68.116%0.16235%0.35CS..PPolyproline II helixtrans-64.1150.7175.123.7-26.6000109.4F98 P474 T476P96-F98 HydrophobicContact CB-CE2 4.47Å; P96-F98 HydrophobicContact CG-CD2 4.28Å; P96-F98 HydrophobicContact CG-CE2 3.55Å; P96-F98 HydrophobicContact CG-CZ 3.96Å; P96-F98 VanDerWaalsContact O-CD2 3.27Å; P96-F98 WeakPolarHBondContact O-CD2 3.09Å; P96-F98 PolarHBondContact O-N 2.71Å; P96-F98 VanDerWaalsContact O-N 3.09Å; P96-P474 WeakPolarHBondContact CD-O 3.2Å; P96-P474 HydrophobicContact CG-CG 4.15Å; P96-P474 WeakPolarHBondContact CG-O 3.33Å; P96-T476 HydrophobicContact CB-CG2 3.82Å; P96-T476 WeakPolarHBondContact CB-OG1 3.4Å; P96-T476 HydrophobicContact CG-CG2 3.71Å
97N81.1Confident72Confident171 Ų17165.2 Ų65.291%0.91433%0.334SS*.  trans-72.5105.7174.2-69.2-24.8000108.5
98F86.2Confident74.5Confident27 Ų2760 Ų6012%0.11832%0.316CS..  trans-82.7141.1169-72.6-88.7000109.8W95 P96 Q100 I104 F132 F135 I446 P474 T476W95-F98 HydrophobicContact CE3-CE2 4.1Å; W95-F98 HydrophobicContact CZ3-CE2 4.35Å; P96-F98 HydrophobicContact CB-CE2 4.47Å; P96-F98 HydrophobicContact CG-CD2 4.28Å; P96-F98 HydrophobicContact CG-CE2 3.55Å; P96-F98 HydrophobicContact CG-CZ 3.96Å; P96-F98 VanDerWaalsContact O-CD2 3.27Å; P96-F98 WeakPolarHBondContact O-CD2 3.09Å; P96-F98 PolarHBondContact O-N 2.71Å; P96-F98 VanDerWaalsContact O-N 3.09Å; F98-Q100 PolarHBondContact O-N 2.82Å; F98-I104 HydrophobicContact CD1-CD1 3.66Å; F98-I104 HydrophobicContact CD1-CG1 4.12Å; F98-I104 HydrophobicContact CE1-CD1 4.15Å; F98-I104 HydrophobicContact CG-CD1 4.23Å; F98-F132 HydrophobicContact CB-CE2 3.75Å; F98-F132 HydrophobicContact CB-CZ 4.44Å; F98-F132 HydrophobicContact CD1-CE2 4.32Å; F98-F132 AromaticContact CD2-CE2 3.58Å; F98-F132 HydrophobicContact CD2-CE2 3.58Å; F98-F132 AromaticContact CD2-CZ 3.69Å; F98-F132 HydrophobicContact CD2-CZ 3.69Å; F98-F132 HydrophobicContact CE2-CE2 4.22Å; F98-F132 HydrophobicContact CE2-CZ 4.21Å; F98-F132 AromaticContact CG-CE2 3.62Å; F98-F132 HydrophobicContact CG-CE2 3.62Å; F98-F132 HydrophobicContact CG-CZ 4.21Å; F98-F135 AromaticContact CE1-CE1 3.96Å; F98-F135 HydrophobicContact CE1-CE1 3.96Å; F98-F135 AromaticContact CE1-CZ 3.92Å; F98-F135 HydrophobicContact CE1-CZ 3.92Å; F98-F135 AromaticContact CE2-CE1 3.92Å; F98-F135 HydrophobicContact CE2-CE1 3.92Å; F98-F135 HydrophobicContact CE2-CZ 4.38Å; F98-F135 AromaticContact CZ-CE1 3.58Å; F98-F135 HydrophobicContact CZ-CE1 3.58Å; F98-F135 AromaticContact CZ-CZ 3.62Å; F98-F135 HydrophobicContact CZ-CZ 3.62Å; F98-I446 HydrophobicContact CE1-CD1 3.7Å; F98-I446 HydrophobicContact CE1-CG1 4.08Å; F98-I446 HydrophobicContact CZ-CD1 4.3Å; F98-I446 HydrophobicContact CZ-CG1 4.44Å; F98-P474 HydrophobicContact CE2-CG 3.89Å; F98-P474 HydrophobicContact CZ-CB 4.44Å; F98-P474 HydrophobicContact CZ-CG 3.85Å; F98-T476 HydrophobicContact CZ-CG2 4.35Å
99D84.2Confident76.8Confident64 Ų6458.5 Ų58.534%0.34231%0.308SS..  trans-69.8122171.6-177.9-3.1000109.1N101 A102 Q441 N442D99-N101 PolarHBondContact O-N 2.82Å; D99-N101 PolarHBondContact OD1-N 3.26Å; D99-A102 HydrophobicContact CB-CB 3.92Å; D99-A102 WeakPolarHBondContact OD2-CB 3.22Å; D99-Q441 PolarHBondContact O-NE2 3.39Å; D99-N442 PolarHBondContact OD2-ND2 2.6Å
100Q81.5Confident79.6Confident93 Ų9355.8 Ų55.844%0.43528%0.278SS..THydrogen-bonded Turntrans-73.6-16.1-178.4-69.5172-26.400112.1F98 S113 T115F98-Q100 PolarHBondContact O-N 2.82Å; Q100-S113 CarbonylContact C-O 3.58Å; Q100-S113 CarbonylContact O-C 3.56Å; Q100-T115 HydrophobicContact CB-CG2 3.67Å; Q100-T115 VanDerWaalsContact CD-CG2 3.48Å; Q100-T115 HydrophobicContact CG-CG2 3.91Å
101N82.3Confident81.8Confident89 Ų8949.3 Ų49.348%0.47625%0.253SS..THydrogen-bonded Turntrans-104.27.9-178.9-61.4-40.2000113.3D99 T115D99-N101 PolarHBondContact O-N 2.82Å; D99-N101 PolarHBondContact OD1-N 3.26Å; N101-T115 PolarHBondContact OD1-OG1 3.21Å
102A87.4Confident83.9Confident10 Ų1046.4 Ų46.48%0.08323%0.231CC..SBendtrans-122.8143.7-176.100000113D99 Q441 N442D99-A102 HydrophobicContact CB-CB 3.92Å; D99-A102 WeakPolarHBondContact OD2-CB 3.22Å; A102-Q441 HydrophobicContact CB-CG 3.98Å; A102-Q441 PolarHBondContact O-NE2 3.38Å; A102-N442 VanDerWaalsContact CB-OD1 3.28Å; A102-N442 WeakPolarHBondContact CB-OD1 3.18Å
103I92.6Very high84.9Confident26 Ų2643.4 Ų43.413%0.13322%0.216CC..PPolyproline II helixtrans-67.4136.3176.2-60.4171.1000109.9Y105 C110 Y111 F112 I122 I126I103-Y105 HydrophobicContact CB-CE2 4.14Å; I103-Y105 HydrophobicContact CG2-CD1 4.28Å; I103-Y105 HydrophobicContact CG2-CD2 4.19Å; I103-Y105 HydrophobicContact CG2-CE1 3.91Å; I103-Y105 HydrophobicContact CG2-CE2 3.79Å; I103-Y105 HydrophobicContact CG2-CG 4.42Å; I103-C110 HydrophobicContact CG2-CB 4.22Å; I103-Y111 WeakPolarHBondContact CA-O 3.47Å; I103-F112 HydrophobicContact CG1-CD2 4.11Å; I103-I122 HydrophobicContact CD1-CG2 4.41Å; I103-I126 HydrophobicContact CD1-CD1 3.74Å; I103-I126 HydrophobicContact CD1-CG2 4.27Å
104I94.7Very high85.2Confident0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-100.1119.1170.6-58.1169.4000107.6F98 Y111 F132 F135 Q441 I446F98-I104 HydrophobicContact CD1-CD1 3.66Å; F98-I104 HydrophobicContact CD1-CG1 4.12Å; F98-I104 HydrophobicContact CE1-CD1 4.15Å; F98-I104 HydrophobicContact CG-CD1 4.23Å; I104-Y111 PolarHBondContact N-O 3.35Å; I104-Y111 PolarHBondContact O-N 2.92Å; I104-F132 HydrophobicContact CD1-CD2 3.72Å; I104-F132 HydrophobicContact CD1-CE2 3.87Å; I104-F135 HydrophobicContact CD1-CD1 3.95Å; I104-F135 HydrophobicContact CD1-CE1 4.21Å; I104-F135 HydrophobicContact CD1-CG 4.2Å; I104-F135 HydrophobicContact CG2-CD2 3.71Å; I104-F135 HydrophobicContact CG2-CE2 3.67Å; I104-F135 HydrophobicContact CG2-CG 4.25Å; I104-F135 HydrophobicContact CG2-CZ 4.18Å; I104-Q441 HydrophobicContact CG1-CB 4.21Å; I104-Q441 HydrophobicContact CG1-CG 4.09Å; I104-Q441 VanDerWaalsContact CG1-NE2 3.31Å; I104-I446 HydrophobicContact CG2-CD1 3.63Å
105Y97.1Very high84.5Confident58 Ų5837 Ų3723%0.22720%0.195CC..EExtended strand (participates in β ladder)trans-95.7133.1171.5-62.5-81.2000109.5I103 R109 C110 S419 G439 C440I103-Y105 HydrophobicContact CB-CE2 4.14Å; I103-Y105 HydrophobicContact CG2-CD1 4.28Å; I103-Y105 HydrophobicContact CG2-CD2 4.19Å; I103-Y105 HydrophobicContact CG2-CE1 3.91Å; I103-Y105 HydrophobicContact CG2-CE2 3.79Å; I103-Y105 HydrophobicContact CG2-CG 4.42Å; Y105-R109 CarbonylContact C-O 3.53Å; Y105-R109 VanDerWaalsContact CA-O 3.31Å; Y105-R109 WeakPolarHBondContact CA-O 3.27Å; Y105-C110 HydrophobicContact CD1-CB 4.38Å; Y105-C110 VanDerWaalsContact CD1-SG 3.52Å; Y105-C110 HydrophobicContact CE1-CB 4.31Å; Y105-C110 WeakPolarHBondContact CE1-SG 3.4Å; Y105-S419 VanDerWaalsContact CD1-CB 3.45Å; Y105-G439 CarbonylContact O-C 3.6Å; Y105-G439 WeakPolarHBondContact O-CA 3.27Å; Y105-C440 PolarHBondContact N-O 3.09Å; Y105-C440 PolarHBondContact O-N 3.17Å
106M97.4Very high83.3Confident0 Ų038.1 Ų38.10%021%0.208CC..EExtended strand (participates in β ladder)trans-148.2119.9176177.1170.6171.700110.7G108 R109 Y111 F135 F139 R142 V438M106-G108 VanDerWaalsContact C-N 3.25Å; M106-G108 PolarHBondContact O-N 3.38Å; M106-G108 VanDerWaalsContact O-N 3.16Å; M106-R109 PolarHBondContact N-O 2.48Å; M106-R109 WeakPolarHBondContact O-CB 3.46Å; M106-R109 PolarHBondContact O-N 2.88Å; M106-Y111 HydrophobicContact CB-CE2 4.2Å; M106-F135 HydrophobicContact SD-CD2 4.03Å; M106-F135 HydrophobicContact SD-CE2 3.74Å; M106-F139 HydrophobicContact CE-CB 4.15Å; M106-F139 HydrophobicContact CE-CD2 3.89Å; M106-F139 HydrophobicContact CE-CG 4.45Å; M106-F139 HydrophobicContact SD-CB 4.11Å; M106-F139 HydrophobicContact SD-CD2 4.01Å; M106-R142 HydrophobicContact CE-CG 3.46Å; M106-R142 VanDerWaalsContact CE-CG 3.46Å; M106-V438 CarbonylContact C-O 3.52Å; M106-V438 WeakPolarHBondContact CA-O 3.45Å; M106-V438 HydrophobicContact CE-CB 4.23Å; M106-V438 HydrophobicContact CE-CG2 3.99Å; M106-V438 HydrophobicContact SD-CG2 4.38Å
107L98Very high82Confident4 Ų445 Ų452%0.02124%0.244CC..THydrogen-bonded Turntrans48.742.5173.3-58.9172.4000114.4R142 Q250 R259 F423 V438L107-R142 HydrophobicContact CD1-CG 4.28Å; L107-Q250 HydrophobicContact CD1-CG 4.19Å; L107-Q250 HydrophobicContact CD2-CG 4.41Å; L107-R259 PolarHBondContact O-NH1 3.37Å; L107-F423 HydrophobicContact CD2-CD1 4.34Å; L107-F423 HydrophobicContact CD2-CE1 4.46Å; L107-V438 HydrophobicContact CD1-CB 4.24Å; L107-V438 HydrophobicContact CD1-CG1 4.43Å; L107-V438 HydrophobicContact CD2-CB 4.06Å; L107-V438 HydrophobicContact CD2-CG1 4.28Å; L107-V438 HydrophobicContact CG-CB 4.04Å; L107-V438 WeakPolarHBondContact CG-O 3.43Å; L107-V438 PolarHBondContact N-O 3.06Å
108G96.5Very high80.5Confident14 Ų1443.5 Ų43.514%0.14424%0.236CC..THydrogen-bonded Turntrans84.710.218000000114.9M106 F418 D420M106-G108 VanDerWaalsContact C-N 3.25Å; M106-G108 PolarHBondContact O-N 3.38Å; M106-G108 VanDerWaalsContact O-N 3.16Å; G108-F418 WeakPolarHBondContact CA-O 3.32Å; G108-F418 PolarHBondContact N-O 3.08Å; G108-D420 WeakPolarHBondContact CA-O 3.4Å
109R95.5Very high78.9Confident39 Ų3946.7 Ų46.715%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-118.3154.1-179.9-51.8-157.895.8-158.66.8112Y105 M106 Y111 D129 N260Y105-R109 CarbonylContact C-O 3.53Å; Y105-R109 VanDerWaalsContact CA-O 3.31Å; Y105-R109 WeakPolarHBondContact CA-O 3.27Å; M106-R109 PolarHBondContact N-O 2.48Å; M106-R109 WeakPolarHBondContact O-CB 3.46Å; M106-R109 PolarHBondContact O-N 2.88Å; R109-Y111 HydrophobicContact CB-CE2 3.83Å; R109-D129 WeakPolarHBondContact CA-OD2 3.35Å; R109-D129 HydrophobicContact CB-CB 4.17Å; R109-D129 VanDerWaalsContact CB-OD2 3.3Å; R109-D129 WeakPolarHBondContact CB-OD2 3.34Å; R109-D129 IonicContact CZ-OD1 3.31Å; R109-D129 IonicContact NE-OD1 3.78Å; R109-D129 PolarHBondContact NE-OD1 2.8Å; R109-D129 IonicContact NE-OD2 3.9Å; R109-D129 IonicContact NH1-OD1 2.67Å; R109-D129 IonicContact NH2-OD1 3.05Å; R109-D129 PolarHBondContact NH2-OD1 3.13Å; R109-N260 PolarHBondContact NH1-OD1 3.3Å; R109-N260 PolarHBondContact NH2-OD1 3.05Å
110C94.7Very high77.3Confident16 Ų1645.8 Ų45.811%0.10826%0.259CS..EExtended strand (participates in β ladder)trans-120119.6-175.7-53.70000110.7I103 Y105 I126 L128 D129I103-C110 HydrophobicContact CG2-CB 4.22Å; Y105-C110 HydrophobicContact CD1-CB 4.38Å; Y105-C110 VanDerWaalsContact CD1-SG 3.52Å; Y105-C110 HydrophobicContact CE1-CB 4.31Å; Y105-C110 WeakPolarHBondContact CE1-SG 3.4Å; C110-I126 HydrophobicContact CB-CG2 4.35Å; C110-L128 HydrophobicContact CB-CD2 4.37Å; C110-D129 PolarHBondContact N-OD2 3.49Å; C110-D129 PolarHBondContact O-N 2.88Å
111Y92.4Very high76Confident0 Ų048.1 Ų48.10%028%0.28CS..EExtended strand (participates in β ladder)trans-117.7151.3178.1-56.7-82.5000111I103 I104 M106 R109 D129 G130 D134 F135 D138 R262I103-Y111 WeakPolarHBondContact CA-O 3.47Å; I104-Y111 PolarHBondContact N-O 3.35Å; I104-Y111 PolarHBondContact O-N 2.92Å; M106-Y111 HydrophobicContact CB-CE2 4.2Å; R109-Y111 HydrophobicContact CB-CE2 3.83Å; Y111-D129 HydrophobicContact CE1-CB 4.2Å; Y111-G130 WeakPolarHBondContact CA-O 3.3Å; Y111-D134 HydrophobicContact CD1-CB 4.08Å; Y111-D134 HydrophobicContact CE1-CB 3.96Å; Y111-F135 HydrophobicContact CD1-CB 3.97Å; Y111-F135 HydrophobicContact CD2-CB 3.88Å; Y111-F135 HydrophobicContact CD2-CD2 4.08Å; Y111-F135 HydrophobicContact CD2-CG 4.45Å; Y111-F135 HydrophobicContact CE2-CB 4.45Å; Y111-F135 HydrophobicContact CE2-CD2 4.46Å; Y111-F135 HydrophobicContact CG-CB 3.61Å; Y111-D138 WeakPolarHBondContact OH-CB 3.46Å; Y111-D138 PolarHBondContact OH-OD2 3.46Å; Y111-R262 PolarHBondContact OH-NH2 2.94Å
112F84.4Confident74.8Confident15 Ų1546.2 Ų46.27%0.06627%0.269CS..EExtended strand (participates in β ladder)trans-130.9150178.6-170.2-111.3000112I103 P114 P120 I122 L128 G130 D131 F132I103-F112 HydrophobicContact CG1-CD2 4.11Å; F112-P114 HydrophobicContact CD1-CB 3.93Å; F112-P114 HydrophobicContact CD1-CG 4.2Å; F112-P114 VanDerWaalsContact CE1-CA 3.45Å; F112-P114 HydrophobicContact CE1-CB 3.7Å; F112-P114 HydrophobicContact CE1-CG 4.46Å; F112-P114 VanDerWaalsContact O-CD 3.31Å; F112-P114 WeakPolarHBondContact O-CD 3.29Å; F112-P120 HydrophobicContact CE1-CG 4.36Å; F112-P120 HydrophobicContact CE2-CG 3.68Å; F112-P120 VanDerWaalsContact CZ-CD 3.48Å; F112-P120 HydrophobicContact CZ-CG 3.34Å; F112-I122 HydrophobicContact CD1-CD1 4.23Å; F112-I122 HydrophobicContact CD2-CD1 4.04Å; F112-I122 HydrophobicContact CE1-CD1 4.39Å; F112-I122 HydrophobicContact CE2-CD1 4.22Å; F112-I122 HydrophobicContact CG-CD1 4.09Å; F112-I122 HydrophobicContact CZ-CD1 4.43Å; F112-L128 HydrophobicContact CB-CD1 3.73Å; F112-L128 HydrophobicContact CB-CD2 3.89Å; F112-L128 HydrophobicContact CB-CG 4.45Å; F112-L128 HydrophobicContact CG-CD1 4.37Å; F112-G130 PolarHBondContact N-O 2.98Å; F112-G130 VanDerWaalsContact N-O 3.15Å; F112-D131 CarbonylContact O-C 3.57Å; F112-D131 VanDerWaalsContact O-C 3.24Å; F112-D131 WeakPolarHBondContact O-CA 3.45Å; F112-F132 PolarHBondContact O-N 3.13Å
113S66.8Low73.6Confident5 Ų549.6 Ų49.64%0.03529%0.289CS..  trans-117.365.6-177.8178.10000111.6Q100 T115Q100-S113 CarbonylContact C-O 3.58Å; Q100-S113 CarbonylContact O-C 3.56Å; S113-T115 PolarHBondContact O-N 2.9Å
114P58.7Low71.9Confident72 Ų7260.3 Ų60.347%0.46833%0.327SS..  trans-55.7126.6-169.923.2-31.4000112.8F112F112-P114 HydrophobicContact CD1-CB 3.93Å; F112-P114 HydrophobicContact CD1-CG 4.2Å; F112-P114 VanDerWaalsContact CE1-CA 3.45Å; F112-P114 HydrophobicContact CE1-CB 3.7Å; F112-P114 HydrophobicContact CE1-CG 4.46Å; F112-P114 VanDerWaalsContact O-CD 3.31Å; F112-P114 WeakPolarHBondContact O-CD 3.29Å
115T50.7Low70.8Confident13 Ų1367.4 Ų67.48%0.0837%0.366CS..  trans-118.2101.6164.545.90000110.3Q100 N101 S113Q100-T115 HydrophobicContact CB-CG2 3.67Å; Q100-T115 VanDerWaalsContact CD-CG2 3.48Å; Q100-T115 HydrophobicContact CG-CG2 3.91Å; N101-T115 PolarHBondContact OD1-OG1 3.21Å; S113-T115 PolarHBondContact O-N 2.9Å
116S47.5Very low69.8Low59 Ų5967 Ų6741%0.41337%0.367SS..SBendtrans69.515617572.50000116.6N118S116-N118 CarbonylContact O-C 3.5Å; S116-N118 PolarHBondContact O-N 3.42Å
117D52.9Low69.1Low169 Ų16973.9 Ų73.990%0.90440%0.402SS*.SBendtrans-53.6-6.9-166.5-59.8-39.2000116.9S119D117-S119 VanDerWaalsContact C-N 3.31Å; D117-S119 PolarHBondContact O-N 2.8Å; D117-S119 VanDerWaalsContact O-N 3.14Å
118N49.1Very low68.7Low141 Ų14177 Ų7775%0.75442%0.419SS*.  trans-84.377.1167.5-72.5-20.6000109.4S116 P120S116-N118 CarbonylContact O-C 3.5Å; S116-N118 PolarHBondContact O-N 3.42Å; N118-P120 WeakPolarHBondContact O-CD 3.26Å
119S52.1Low68.5Low94 Ų9479 Ų7966%0.65743%0.426SS*.  trans-53.1124.6166.963.70000108.2D117D117-S119 VanDerWaalsContact C-N 3.31Å; D117-S119 PolarHBondContact O-N 2.8Å; D117-S119 VanDerWaalsContact O-N 3.14Å
120P51.1Low68.3Low44 Ų4478.1 Ų78.129%0.28643%0.429SS..  trans-54153.9165.922.3-29.5000108.3F112 N118 I122F112-P120 HydrophobicContact CE1-CG 4.36Å; F112-P120 HydrophobicContact CE2-CG 3.68Å; F112-P120 VanDerWaalsContact CZ-CD 3.48Å; F112-P120 HydrophobicContact CZ-CG 3.34Å; N118-P120 WeakPolarHBondContact O-CD 3.26Å; P120-I122 HydrophobicContact CG-CG1 4.42Å; P120-I122 PolarHBondContact O-N 3.33Å
121T54.4Low68Low143 Ų14380.8 Ų80.888%0.87744%0.442SS*.  trans-6672.4176.9-37.40000109.2T123T121-T123 PolarHBondContact O-N 2.96Å; T121-T123 VanDerWaalsContact O-N 3.16Å
122I57.5Low67.8Low48 Ų4882.9 Ų82.925%0.24645%0.451CS..  trans-61.2118166.1-61.4177.8000103.9I103 F112 P120 R124 I126 L128I103-I122 HydrophobicContact CD1-CG2 4.41Å; F112-I122 HydrophobicContact CD1-CD1 4.23Å; F112-I122 HydrophobicContact CD2-CD1 4.04Å; F112-I122 HydrophobicContact CE1-CD1 4.39Å; F112-I122 HydrophobicContact CE2-CD1 4.22Å; F112-I122 HydrophobicContact CG-CD1 4.09Å; F112-I122 HydrophobicContact CZ-CD1 4.43Å; P120-I122 HydrophobicContact CG-CG1 4.42Å; P120-I122 PolarHBondContact O-N 3.33Å; I122-R124 PolarHBondContact O-N 2.91Å; I122-I126 HydrophobicContact CG2-CB 4.05Å; I122-I126 HydrophobicContact CG2-CD1 4.48Å; I122-L128 HydrophobicContact CD1-CD1 4.06Å
123T60.8Low67.9Low81 Ų8183.2 Ų83.250%0.49746%0.455SS..  trans-51.8129.8173.543.80000108.1T121 D125 I126T121-T123 PolarHBondContact O-N 2.96Å; T121-T123 VanDerWaalsContact O-N 3.16Å; T123-D125 PolarHBondContact O-N 2.84Å; T123-I126 PolarHBondContact O-N 2.8Å; T123-I126 VanDerWaalsContact OG1-CD1 3.26Å; T123-I126 WeakPolarHBondContact OG1-CD1 3.19Å; T123-I126 WeakPolarHBondContact OG1-CG1 3.45Å
124R58Low68.9Low251 Ų25186.5 Ų86.595%0.94747%0.472SS*.THydrogen-bonded Turntrans-54.6-15-173.4-68.9-177.9177.7137.1-1.2114.3I122I122-R124 PolarHBondContact O-N 2.91Å
125D70.7Confident70.5Confident150 Ų15083 Ų8380%0.80245%0.45SS*.THydrogen-bonded Turntrans-84.6-9.9-178.1-50.8-35.6000114.1T123T123-D125 PolarHBondContact O-N 2.84Å
126I76.9Confident72.4Confident49 Ų4982.6 Ų82.625%0.25145%0.447SS..PPolyproline II helixtrans-89.9117179.1-59.6173.4000110.2I103 C110 I122 T123 L128I103-I126 HydrophobicContact CD1-CD1 3.74Å; I103-I126 HydrophobicContact CD1-CG2 4.27Å; C110-I126 HydrophobicContact CB-CG2 4.35Å; I122-I126 HydrophobicContact CG2-CB 4.05Å; I122-I126 HydrophobicContact CG2-CD1 4.48Å; T123-I126 PolarHBondContact O-N 2.8Å; T123-I126 VanDerWaalsContact OG1-CD1 3.26Å; T123-I126 WeakPolarHBondContact OG1-CD1 3.19Å; T123-I126 WeakPolarHBondContact OG1-CG1 3.45Å; I126-L128 HydrophobicContact CG2-CD2 4.45Å
127I83.3Confident74.4Confident144 Ų14481.5 Ų81.574%0.73844%0.44SS*.PPolyproline II helixtrans-84.7121.3170.8-57.5174.8000108.6
128L89.5Confident76.4Confident71 Ų7173.4 Ų73.437%0.37240%0.397SS..PPolyproline II helixtrans-82.8133.9173.4-63.6176.4000110.3C110 F112 I122 I126C110-L128 HydrophobicContact CB-CD2 4.37Å; F112-L128 HydrophobicContact CB-CD1 3.73Å; F112-L128 HydrophobicContact CB-CD2 3.89Å; F112-L128 HydrophobicContact CB-CG 4.45Å; F112-L128 HydrophobicContact CG-CD1 4.37Å; I122-L128 HydrophobicContact CD1-CD1 4.06Å; I126-L128 HydrophobicContact CG2-CD2 4.45Å
129D92.5Very high78.5Confident56 Ų5666.8 Ų66.830%0.29936%0.361SS..  trans-86.7-12.7175.9-70.5-82.1000113.2R109 C110 Y111R109-D129 WeakPolarHBondContact CA-OD2 3.35Å; R109-D129 HydrophobicContact CB-CB 4.17Å; R109-D129 VanDerWaalsContact CB-OD2 3.3Å; R109-D129 WeakPolarHBondContact CB-OD2 3.34Å; R109-D129 IonicContact CZ-OD1 3.31Å; R109-D129 IonicContact NE-OD1 3.78Å; R109-D129 PolarHBondContact NE-OD1 2.8Å; R109-D129 IonicContact NE-OD2 3.9Å; R109-D129 IonicContact NH1-OD1 2.67Å; R109-D129 IonicContact NH2-OD1 3.05Å; R109-D129 PolarHBondContact NH2-OD1 3.13Å; C110-D129 PolarHBondContact N-OD2 3.49Å; C110-D129 PolarHBondContact O-N 2.88Å; Y111-D129 HydrophobicContact CE1-CB 4.2Å
130G91.3Very high80.4Confident20 Ų2062.9 Ų62.921%0.20633%0.334CS..EExtended strand (participates in β ladder)trans163.2-175.218000000113.8Y111 F112 D134Y111-G130 WeakPolarHBondContact CA-O 3.3Å; F112-G130 PolarHBondContact N-O 2.98Å; F112-G130 VanDerWaalsContact N-O 3.15Å; G130-D134 WeakPolarHBondContact CA-OD2 3.33Å
131D87.7Confident82.4Confident71 Ų7160.9 Ų60.938%0.3832%0.321SS..EExtended strand (participates in β ladder)trans-92.6-170.4177.975.112.4000113F112 S133 D134 F135F112-D131 CarbonylContact O-C 3.57Å; F112-D131 VanDerWaalsContact O-C 3.24Å; F112-D131 WeakPolarHBondContact O-CA 3.45Å; D131-S133 VanDerWaalsContact C-N 3.29Å; D131-S133 PolarHBondContact O-N 3.17Å; D131-S133 VanDerWaalsContact OD1-CA 3.27Å; D131-S133 WeakPolarHBondContact OD1-CA 3.39Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.27Å; D131-D134 PolarHBondContact N-OD2 3.23Å; D131-D134 PolarHBondContact O-N 2.93Å; D131-D134 PolarHBondContact OD1-N 2.91Å; D131-F135 PolarHBondContact O-N 3.12Å
132F87.3Confident84.4Confident45 Ų4554.3 Ų54.320%0.19728%0.281CS..Hα-helixtrans-63.2-32.8176.6-171.9-95.5000113.4W95 F98 I104 F112 F135 A136W95-F132 HydrophobicContact CE3-CZ 4.12Å; W95-F132 HydrophobicContact CZ3-CE1 4.37Å; W95-F132 HydrophobicContact CZ3-CZ 4.04Å; F98-F132 HydrophobicContact CB-CE2 3.75Å; F98-F132 HydrophobicContact CB-CZ 4.44Å; F98-F132 HydrophobicContact CD1-CE2 4.32Å; F98-F132 AromaticContact CD2-CE2 3.58Å; F98-F132 HydrophobicContact CD2-CE2 3.58Å; F98-F132 AromaticContact CD2-CZ 3.69Å; F98-F132 HydrophobicContact CD2-CZ 3.69Å; F98-F132 HydrophobicContact CE2-CE2 4.22Å; F98-F132 HydrophobicContact CE2-CZ 4.21Å; F98-F132 AromaticContact CG-CE2 3.62Å; F98-F132 HydrophobicContact CG-CE2 3.62Å; F98-F132 HydrophobicContact CG-CZ 4.21Å; I104-F132 HydrophobicContact CD1-CD2 3.72Å; I104-F132 HydrophobicContact CD1-CE2 3.87Å; F112-F132 PolarHBondContact O-N 3.13Å; F132-F135 HydrophobicContact CD2-CD1 4.05Å; F132-F135 AromaticContact CE2-CD1 3.82Å; F132-F135 HydrophobicContact CE2-CD1 3.82Å; F132-F135 HydrophobicContact CE2-CE1 4.03Å; F132-F135 HydrophobicContact CZ-CD1 4.28Å; F132-F135 HydrophobicContact CZ-CE1 4.36Å; F132-F135 WeakPolarHBondContact O-CB 3.42Å; F132-F135 PolarHBondContact O-N 3.12Å; F132-A136 WeakPolarHBondContact O-CB 3.34Å; F132-A136 PolarHBondContact O-N 2.99Å
133S86.2Confident86.2Confident21 Ų2152.5 Ų52.515%0.14727%0.271CS..Hα-helixtrans-67.7-41176.3-170.20000110.7S72 D131 A136 S137S72-S133 WeakPolarHBondContact CB-OG 3.1Å; S72-S133 PolarHBondContact OG-O 3.46Å; S72-S133 PolarHBondContact OG-OG 3.22Å; D131-S133 VanDerWaalsContact C-N 3.29Å; D131-S133 PolarHBondContact O-N 3.17Å; D131-S133 VanDerWaalsContact OD1-CA 3.27Å; D131-S133 WeakPolarHBondContact OD1-CA 3.39Å; D131-S133 WeakPolarHBondContact OD1-CB 3.49Å; D131-S133 PolarHBondContact OD1-N 3.27Å; S133-A136 PolarHBondContact O-N 3.43Å; S133-S137 WeakPolarHBondContact O-CB 3.28Å; S133-S137 PolarHBondContact O-N 3.05Å
134D89.7Confident87.9Confident74 Ų7450.1 Ų50.140%0.39625%0.253SS..Hα-helixtrans-64.2-41.8174.5-64.7-47.5000111.9Y111 G130 D131 S137 D138Y111-D134 HydrophobicContact CD1-CB 4.08Å; Y111-D134 HydrophobicContact CE1-CB 3.96Å; G130-D134 WeakPolarHBondContact CA-OD2 3.33Å; D131-D134 PolarHBondContact N-OD2 3.23Å; D131-D134 PolarHBondContact O-N 2.93Å; D131-D134 PolarHBondContact OD1-N 2.91Å; D134-S137 PolarHBondContact O-N 2.93Å; D134-D138 VanDerWaalsContact O-CB 3.3Å; D134-D138 WeakPolarHBondContact O-CB 3.08Å; D134-D138 PolarHBondContact O-N 3.01Å
135F91.6Very high89.8Confident0 Ų038.3 Ų38.30%021%0.209CC..Hα-helixtrans-57-49.6171.3160.1-108.2000111.7W95 F98 I104 M106 Y111 D131 F132 S137 D138 F139 I446 P474W95-F135 HydrophobicContact CZ3-CE1 4.24Å; F98-F135 AromaticContact CE1-CE1 3.96Å; F98-F135 HydrophobicContact CE1-CE1 3.96Å; F98-F135 AromaticContact CE1-CZ 3.92Å; F98-F135 HydrophobicContact CE1-CZ 3.92Å; F98-F135 AromaticContact CE2-CE1 3.92Å; F98-F135 HydrophobicContact CE2-CE1 3.92Å; F98-F135 HydrophobicContact CE2-CZ 4.38Å; F98-F135 AromaticContact CZ-CE1 3.58Å; F98-F135 HydrophobicContact CZ-CE1 3.58Å; F98-F135 AromaticContact CZ-CZ 3.62Å; F98-F135 HydrophobicContact CZ-CZ 3.62Å; I104-F135 HydrophobicContact CD1-CD1 3.95Å; I104-F135 HydrophobicContact CD1-CE1 4.21Å; I104-F135 HydrophobicContact CD1-CG 4.2Å; I104-F135 HydrophobicContact CG2-CD2 3.71Å; I104-F135 HydrophobicContact CG2-CE2 3.67Å; I104-F135 HydrophobicContact CG2-CG 4.25Å; I104-F135 HydrophobicContact CG2-CZ 4.18Å; M106-F135 HydrophobicContact SD-CD2 4.03Å; M106-F135 HydrophobicContact SD-CE2 3.74Å; Y111-F135 HydrophobicContact CD1-CB 3.97Å; Y111-F135 HydrophobicContact CD2-CB 3.88Å; Y111-F135 HydrophobicContact CD2-CD2 4.08Å; Y111-F135 HydrophobicContact CD2-CG 4.45Å; Y111-F135 HydrophobicContact CE2-CB 4.45Å; Y111-F135 HydrophobicContact CE2-CD2 4.46Å; Y111-F135 HydrophobicContact CG-CB 3.61Å; D131-F135 PolarHBondContact O-N 3.12Å; F132-F135 HydrophobicContact CD2-CD1 4.05Å; F132-F135 AromaticContact CE2-CD1 3.82Å; F132-F135 HydrophobicContact CE2-CD1 3.82Å; F132-F135 HydrophobicContact CE2-CE1 4.03Å; F132-F135 HydrophobicContact CZ-CD1 4.28Å; F132-F135 HydrophobicContact CZ-CE1 4.36Å; F132-F135 WeakPolarHBondContact O-CB 3.42Å; F132-F135 PolarHBondContact O-N 3.12Å; F135-S137 VanDerWaalsContact C-N 3.34Å; F135-S137 PolarHBondContact O-N 3.44Å; F135-D138 WeakPolarHBondContact O-CB 3.4Å; F135-D138 PolarHBondContact O-N 3.43Å; F135-F139 HydrophobicContact CE2-CB 4.42Å; F135-F139 WeakPolarHBondContact O-CB 3.35Å; F135-F139 PolarHBondContact O-N 2.96Å; F135-I446 HydrophobicContact CE2-CD1 4.18Å; F135-I446 HydrophobicContact CZ-CD1 4.13Å; F135-P474 HydrophobicContact CZ-CG 4.39Å
136A89.7Confident90.9Very high3 Ų331.1 Ų31.13%0.02517%0.171CC..Hα-helixtrans-62.6-43.4-177.500000111.2F73 W95 F132 S133 F139 A140F73-A136 HydrophobicContact CD2-CB 3.91Å; F73-A136 HydrophobicContact CE2-CB 3.42Å; F73-A136 VanDerWaalsContact CE2-CB 3.42Å; F73-A136 WeakPolarHBondContact CE2-O 3.32Å; F73-A136 HydrophobicContact CZ-CB 4.43Å; F73-A136 VanDerWaalsContact CZ-O 3.31Å; F73-A136 WeakPolarHBondContact CZ-O 3.4Å; W95-A136 HydrophobicContact CH2-CB 3.53Å; W95-A136 HydrophobicContact CZ2-CB 4.33Å; W95-A136 HydrophobicContact CZ3-CB 4.16Å; F132-A136 WeakPolarHBondContact O-CB 3.34Å; F132-A136 PolarHBondContact O-N 2.99Å; S133-A136 PolarHBondContact O-N 3.43Å; A136-F139 PolarHBondContact O-N 2.78Å; A136-A140 WeakPolarHBondContact O-CB 3.16Å; A136-A140 PolarHBondContact O-N 2.89Å
137S90.5Very high91.8Very high36 Ų3629.1 Ų29.125%0.25216%0.16SC..Hα-helixtrans-61.7-42.9174.3-1790000111.6S133 D134 F135 S141S133-S137 WeakPolarHBondContact O-CB 3.28Å; S133-S137 PolarHBondContact O-N 3.05Å; D134-S137 PolarHBondContact O-N 2.93Å; F135-S137 VanDerWaalsContact C-N 3.34Å; F135-S137 PolarHBondContact O-N 3.44Å; S137-S141 WeakPolarHBondContact O-CB 3.49Å; S137-S141 PolarHBondContact O-N 2.81Å; S137-S141 VanDerWaalsContact O-N 3.13Å; S137-S141 PolarHBondContact O-OG 3.06Å
138D93.7Very high92.2Very high0 Ų022.4 Ų22.40%013%0.125CC..Hα-helixtrans-60.2-49.4176.2-166.923.6000112.2Y111 D134 F135 S141 R142 R262Y111-D138 WeakPolarHBondContact OH-CB 3.46Å; Y111-D138 PolarHBondContact OH-OD2 3.46Å; D134-D138 VanDerWaalsContact O-CB 3.3Å; D134-D138 WeakPolarHBondContact O-CB 3.08Å; D134-D138 PolarHBondContact O-N 3.01Å; F135-D138 WeakPolarHBondContact O-CB 3.4Å; F135-D138 PolarHBondContact O-N 3.43Å; D138-S141 WeakPolarHBondContact O-CB 3.43Å; D138-S141 PolarHBondContact O-N 2.83Å; D138-R142 PolarHBondContact O-N 3.2Å; D138-R142 PolarHBondContact O-NE 2.9Å; D138-R142 PolarHBondContact O-NH2 3.41Å; D138-R142 IonicContact OD1-CZ 3.97Å; D138-R142 IonicContact OD1-NE 3.3Å; D138-R142 IonicContact OD1-NH1 2.69Å; D138-R142 PolarHBondContact OD1-NH1 3.38Å; D138-R142 IonicContact OD1-NH2 3.59Å; D138-R142 PolarHBondContact OD1-NH2 3.28Å; D138-R142 IonicContact OD2-NH1 3.06Å; D138-R262 IonicContact OD1-CZ 2.94Å; D138-R262 IonicContact OD1-NE 2.79Å; D138-R262 PolarHBondContact OD1-NE 2.86Å; D138-R262 IonicContact OD1-NH1 3.16Å; D138-R262 PolarHBondContact OD1-NH1 2.78Å; D138-R262 IonicContact OD1-NH2 3.56Å; D138-R262 PolarHBondContact OD1-NH2 3.03Å; D138-R262 VanDerWaalsContact OD1-NH2 3.16Å; D138-R262 IonicContact OD2-CZ 2.95Å; D138-R262 IonicContact OD2-NH2 3.41Å; D138-R262 PolarHBondContact OD2-NH2 3.22Å
139F94.4Very high92.4Very high1 Ų121.5 Ų21.50%0.00412%0.121CC..Hα-helixtrans-59.7-49.7179.4-175.3-87.9000111.9M106 F135 A136 S141 R142 V438 I446 L448 C471 P474M106-F139 HydrophobicContact CE-CB 4.15Å; M106-F139 HydrophobicContact CE-CD2 3.89Å; M106-F139 HydrophobicContact CE-CG 4.45Å; M106-F139 HydrophobicContact SD-CB 4.11Å; M106-F139 HydrophobicContact SD-CD2 4.01Å; F135-F139 HydrophobicContact CE2-CB 4.42Å; F135-F139 WeakPolarHBondContact O-CB 3.35Å; F135-F139 PolarHBondContact O-N 2.96Å; A136-F139 PolarHBondContact O-N 2.78Å; F139-S141 PolarHBondContact O-N 2.78Å; F139-R142 WeakPolarHBondContact O-CB 3.48Å; F139-R142 PolarHBondContact O-N 3.22Å; F139-V438 HydrophobicContact CD2-CG2 4.07Å; F139-V438 HydrophobicContact CE2-CG2 3.77Å; F139-I446 HydrophobicContact CD2-CG2 4.18Å; F139-I446 HydrophobicContact CE2-CG2 3.9Å; F139-L448 HydrophobicContact CE1-CD2 3.93Å; F139-L448 HydrophobicContact CE2-CD2 4.19Å; F139-L448 HydrophobicContact CE2-CG 4.25Å; F139-L448 HydrophobicContact CZ-CD2 3.42Å; F139-L448 VanDerWaalsContact CZ-CD2 3.42Å; F139-L448 HydrophobicContact CZ-CG 3.94Å; F139-C471 WeakPolarHBondContact CD1-O 3.33Å; F139-C471 HydrophobicContact CE1-CB 4.28Å; F139-C471 VanDerWaalsContact CE1-O 3.28Å; F139-C471 WeakPolarHBondContact CE1-O 3.45Å; F139-P474 HydrophobicContact CD1-CB 4.08Å; F139-P474 HydrophobicContact CD1-CG 4.41Å; F139-P474 HydrophobicContact CD2-CB 4Å; F139-P474 VanDerWaalsContact CE1-CA 3.42Å; F139-P474 HydrophobicContact CE1-CB 3.76Å; F139-P474 HydrophobicContact CE1-CG 4.43Å; F139-P474 HydrophobicContact CE2-CB 3.67Å; F139-P474 HydrophobicContact CG-CB 4.21Å; F139-P474 HydrophobicContact CZ-CB 3.55Å
140A91.6Very high92.3Very high12 Ų1225.1 Ų25.110%0.09914%0.14CC..Hα-helixtrans-63.6-25.3-179.800000113.2F73 A136 R142 H470 C471F73-A140 HydrophobicContact CE1-CB 3.64Å; F73-A140 HydrophobicContact CZ-CB 3.42Å; F73-A140 VanDerWaalsContact CZ-CB 3.42Å; A136-A140 WeakPolarHBondContact O-CB 3.16Å; A136-A140 PolarHBondContact O-N 2.89Å; A140-R142 VanDerWaalsContact C-N 3.28Å; A140-R142 PolarHBondContact O-N 3.02Å; A140-H470 PolarHBondContact O-ND1 2.87Å; A140-H470 VanDerWaalsContact O-ND1 3.08Å; A140-C471 WeakPolarHBondContact CA-O 3.47Å
141S93.5Very high92.5Very high2 Ų224.4 Ų24.41%0.01413%0.131CC..Hα-helixtrans-74.3-18.1176.5-57.20000112.7S137 D138 F139 W261 R262 L263 H470S137-S141 WeakPolarHBondContact O-CB 3.49Å; S137-S141 PolarHBondContact O-N 2.81Å; S137-S141 VanDerWaalsContact O-N 3.13Å; S137-S141 PolarHBondContact O-OG 3.06Å; D138-S141 WeakPolarHBondContact O-CB 3.43Å; D138-S141 PolarHBondContact O-N 2.83Å; F139-S141 PolarHBondContact O-N 2.78Å; S141-W261 WeakPolarHBondContact O-CZ3 3.32Å; S141-R262 WeakPolarHBondContact OG-CA 3.49Å; S141-L263 PolarHBondContact OG-N 2.94Å; S141-H470 PolarHBondContact O-CE1 3.14Å; S141-H470 PolarHBondContact O-ND1 3.02Å
142R95.4Very high92.7Very high6 Ų623.9 Ų23.92%0.02313%0.132CC..SBendtrans-69.1142.6-178.8-60.5-52.990.9126.84.9111.5M106 L107 D138 F139 A140 W144 W261 L448 H470M106-R142 HydrophobicContact CE-CG 3.46Å; M106-R142 VanDerWaalsContact CE-CG 3.46Å; L107-R142 HydrophobicContact CD1-CG 4.28Å; D138-R142 PolarHBondContact O-N 3.2Å; D138-R142 PolarHBondContact O-NE 2.9Å; D138-R142 PolarHBondContact O-NH2 3.41Å; D138-R142 IonicContact OD1-CZ 3.97Å; D138-R142 IonicContact OD1-NE 3.3Å; D138-R142 IonicContact OD1-NH1 2.69Å; D138-R142 PolarHBondContact OD1-NH1 3.38Å; D138-R142 IonicContact OD1-NH2 3.59Å; D138-R142 PolarHBondContact OD1-NH2 3.28Å; D138-R142 IonicContact OD2-NH1 3.06Å; F139-R142 WeakPolarHBondContact O-CB 3.48Å; F139-R142 PolarHBondContact O-N 3.22Å; A140-R142 VanDerWaalsContact C-N 3.28Å; A140-R142 PolarHBondContact O-N 3.02Å; R142-W144 PolarHBondContact O-N 3.28Å; R142-W261 PolarHBondContact NH2-O 3.42Å; R142-L448 HydrophobicContact CB-CD1 4.11Å; R142-H470 PolarHBondContact O-ND1 2.76Å
143L96.3Very high93Very high9 Ų923.8 Ų23.85%0.04714%0.136CC..BIsolated β-bridgetrans-72.9127.3176.2-67.5175.4000110.2F145 A249 V253 I276 I277 W469L143-F145 HydrophobicContact CB-CE2 3.75Å; L143-F145 HydrophobicContact CB-CZ 4.26Å; L143-F145 HydrophobicContact CD1-CE2 4.44Å; L143-F145 HydrophobicContact CD1-CZ 4.36Å; L143-A249 HydrophobicContact CB-CB 4.46Å; L143-A249 HydrophobicContact CD1-CB 3.95Å; L143-V253 HydrophobicContact CD1-CG2 3.83Å; L143-V253 HydrophobicContact CG-CG2 4.39Å; L143-I276 HydrophobicContact CD1-CG2 3.65Å; L143-I277 HydrophobicContact CD1-CG1 4.47Å; L143-I277 HydrophobicContact CD2-CD1 3.94Å; L143-I277 HydrophobicContact CD2-CG1 3.78Å; L143-W469 CarbonylContact C-O 3.34Å; L143-W469 WeakPolarHBondContact CA-O 3.45Å; L143-W469 HydrophobicContact CD2-CB 4.26Å
144W96.6Very high93.3Very high31 Ų3122.9 Ų22.912%0.11713%0.129CC..  trans-116.6102.8-175.6-176.138.6000109.4R142 T146 L448 D449 F452 W469 C471R142-W144 PolarHBondContact O-N 3.28Å; W144-T146 HydrophobicContact CD2-CG2 3.42Å; W144-T146 VanDerWaalsContact CD2-CG2 3.42Å; W144-T146 HydrophobicContact CE3-CG2 3.9Å; W144-T146 HydrophobicContact CG-CG2 3.93Å; W144-T146 HydrophobicContact CH2-CG2 3.85Å; W144-T146 HydrophobicContact CZ2-CG2 3.36Å; W144-T146 HydrophobicContact CZ3-CG2 4.09Å; W144-L448 HydrophobicContact CB-CD2 4.24Å; W144-L448 HydrophobicContact CG-CD2 4Å; W144-D449 WeakPolarHBondContact CZ2-O 3.34Å; W144-D449 PolarHBondContact NE1-O 3.07Å; W144-F452 HydrophobicContact CH2-CB 3.98Å; W144-F452 AromaticContact CH2-CD1 3.73Å; W144-F452 HydrophobicContact CH2-CD1 3.73Å; W144-F452 HydrophobicContact CH2-CE1 4.49Å; W144-F452 HydrophobicContact CH2-CG 4.06Å; W144-F452 HydrophobicContact CZ2-CB 4Å; W144-F452 HydrophobicContact CZ3-CD1 4.24Å; W144-W469 PolarHBondContact N-O 2.98Å; W144-W469 WeakPolarHBondContact O-CA 3.21Å; W144-C471 HydrophobicContact CB-CB 4.11Å; W144-C471 HydrophobicContact CD2-CB 3.54Å; W144-C471 HydrophobicContact CE3-CB 3.6Å; W144-C471 HydrophobicContact CG-CB 3.81Å; W144-C471 HydrophobicContact CZ3-CB 4.21Å
145F97.5Very high93.1Very high3 Ų322.3 Ų22.31%0.01313%0.126CC..  trans-94.1117.8174.4-60.8-85.8000108.5L143 R242 Q245 M246 A249 F280 W469L143-F145 HydrophobicContact CB-CE2 3.75Å; L143-F145 HydrophobicContact CB-CZ 4.26Å; L143-F145 HydrophobicContact CD1-CE2 4.44Å; L143-F145 HydrophobicContact CD1-CZ 4.36Å; F145-R242 HydrophobicContact CB-CB 4.46Å; F145-R242 WeakPolarHBondContact O-CB 3.47Å; F145-Q245 HydrophobicContact CB-CB 4.13Å; F145-Q245 HydrophobicContact CD1-CB 4.37Å; F145-Q245 HydrophobicContact CD2-CB 3.87Å; F145-Q245 HydrophobicContact CE2-CB 4.43Å; F145-Q245 HydrophobicContact CG-CB 3.85Å; F145-M246 HydrophobicContact CB-CG 3.98Å; F145-M246 HydrophobicContact CD2-CB 4.3Å; F145-M246 HydrophobicContact CD2-CG 3.6Å; F145-M246 HydrophobicContact CG-CG 4.29Å; F145-M246 WeakPolarHBondContact O-CE 3.21Å; F145-A249 HydrophobicContact CD2-CB 4.49Å; F145-A249 HydrophobicContact CE2-CB 3.45Å; F145-A249 VanDerWaalsContact CE2-CB 3.45Å; F145-A249 HydrophobicContact CZ-CB 3.99Å; F145-F280 HydrophobicContact CD1-CB 4.24Å; F145-F280 HydrophobicContact CE1-CB 3.38Å; F145-F280 HydrophobicContact CE1-CD2 4.31Å; F145-F280 AromaticContact CE1-CG 3.88Å; F145-F280 HydrophobicContact CE1-CG 3.88Å; F145-F280 HydrophobicContact CZ-CB 3.75Å; F145-F280 HydrophobicContact CZ-CD1 4.44Å; F145-F280 AromaticContact CZ-CD2 3.78Å; F145-F280 HydrophobicContact CZ-CD2 3.78Å; F145-F280 AromaticContact CZ-CG 3.75Å; F145-F280 HydrophobicContact CZ-CG 3.75Å; F145-W469 AromaticContact CD1-CD1 3.83Å; F145-W469 AromaticContact CE1-CD1 3.62Å; F145-W469 AromaticContact CE1-NE1 3.87Å
146T94.3Very high92Very high0 Ų027.6 Ų27.60%015%0.146CC..  trans-115172.8177.974.70000110.4W144 R148 R242 P450 F452 Q454W144-T146 HydrophobicContact CD2-CG2 3.42Å; W144-T146 VanDerWaalsContact CD2-CG2 3.42Å; W144-T146 HydrophobicContact CE3-CG2 3.9Å; W144-T146 HydrophobicContact CG-CG2 3.93Å; W144-T146 HydrophobicContact CH2-CG2 3.85Å; W144-T146 HydrophobicContact CZ2-CG2 3.36Å; W144-T146 HydrophobicContact CZ3-CG2 4.09Å; T146-R148 PolarHBondContact O-N 2.94Å; T146-R242 WeakPolarHBondContact O-CD 3.5Å; T146-R242 PolarHBondContact O-NE 3.3Å; T146-R242 VanDerWaalsContact O-NE 3.15Å; T146-P450 CarbonylContact C-O 3.5Å; T146-P450 VanDerWaalsContact CA-O 3.29Å; T146-P450 WeakPolarHBondContact CA-O 3.39Å; T146-F452 WeakPolarHBondContact CB-O 3.43Å; T146-F452 HydrophobicContact CG2-CB 4.19Å; T146-F452 PolarHBondContact OG1-O 2.79Å; T146-Q454 PolarHBondContact OG1-NE2 3.41Å
147Y94.3Very high90.7Very high6 Ų629.9 Ų29.92%0.02416%0.157CC..  trans-48.9141.1169.7-69.3-32.5000111.8D234 C239 R242 P450 H451 F452 T453 Q454Y147-D234 WeakPolarHBondContact CA-OD1 3.11Å; Y147-D234 WeakPolarHBondContact CD1-O 3.49Å; Y147-D234 WeakPolarHBondContact CD1-OD2 2.93Å; Y147-D234 VanDerWaalsContact CE1-O 3.25Å; Y147-D234 WeakPolarHBondContact CE1-O 3.27Å; Y147-C239 HydrophobicContact CE1-CB 4.01Å; Y147-C239 VanDerWaalsContact CE1-N 3.31Å; Y147-C239 VanDerWaalsContact OH-CB 3.31Å; Y147-C239 WeakPolarHBondContact OH-CB 3.48Å; Y147-R242 HydrophobicContact CD1-CG 4.49Å; Y147-P450 PolarHBondContact N-O 3.41Å; Y147-H451 HydrophobicContact CD2-CB 4.43Å; Y147-H451 WeakPolarHBondContact CD2-O 3.29Å; Y147-H451 HydrophobicContact CE2-CB 4Å; Y147-H451 AromaticContact CE2-CD2 3.79Å; Y147-H451 AromaticContact CZ-CD2 3.86Å; Y147-H451 PolarHBondContact OH-CD2 3.38Å; Y147-F452 PolarHBondContact N-O 3.18Å; Y147-T453 WeakPolarHBondContact O-CA 3.38Å; Y147-Q454 PolarHBondContact O-N 3.18Å
148R93.7Very high88.8Confident4 Ų434.6 Ų34.62%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-126.2153.6171.2-55.4-62.8177.4146.4-1.5111.6T146 F151 S233 D234 D282 Q454 P455 S468T146-R148 PolarHBondContact O-N 2.94Å; R148-F151 HydrophobicContact CB-CD1 4.02Å; R148-F151 HydrophobicContact CB-CE1 4.38Å; R148-F151 WeakPolarHBondContact O-CE1 3.32Å; R148-S233 WeakPolarHBondContact O-CA 3.27Å; R148-S233 PolarHBondContact O-OG 3.1Å; R148-D234 PolarHBondContact N-OD1 3.28Å; R148-D234 PolarHBondContact O-N 3.05Å; R148-D234 VanDerWaalsContact O-N 3.13Å; R148-D234 VanDerWaalsContact O-OD1 3.11Å; R148-D282 WeakPolarHBondContact CB-OD2 3.37Å; R148-D282 WeakPolarHBondContact CG-OD2 3.48Å; R148-Q454 WeakPolarHBondContact CA-O 3.07Å; R148-Q454 WeakPolarHBondContact CD-O 3.37Å; R148-P455 PolarHBondContact NH1-O 3.43Å; R148-S468 PolarHBondContact NH1-OG 3.49Å; R148-S468 PolarHBondContact NH2-O 2.9Å; R148-S468 PolarHBondContact NH2-OG 3.35Å
149D91.7Very high86.6Confident52 Ų5239.4 Ų39.428%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-125.6168.7169.752.612.1000110.2F151 T232 T453 Q454 P455 T456D149-F151 PolarHBondContact O-N 2.98Å; D149-T232 CarbonylContact C-O 3.6Å; D149-T453 HydrophobicContact CB-CG2 4.28Å; D149-T453 WeakPolarHBondContact OD2-CG2 3.41Å; D149-Q454 PolarHBondContact N-O 2.9Å; D149-P455 VanDerWaalsContact OD1-CA 3.27Å; D149-P455 WeakPolarHBondContact OD1-CA 3.4Å; D149-T456 WeakPolarHBondContact O-CB 3.43Å; D149-T456 PolarHBondContact O-N 3.39Å; D149-T456 PolarHBondContact O-OG1 3.26Å
150D92Very high83.8Confident132 Ų13243 Ų4371%0.70624%0.238SC*.SBendtrans59.328.5-178.6-56.5-29.9000115T232D150-T232 PolarHBondContact N-O 2.86Å; D150-T232 VanDerWaalsContact N-O 3.09Å
151F94.2Very high80.8Confident4 Ų447.6 Ų47.62%0.01827%0.265CS..PPolyproline II helixtrans-84.8158.9167.852.3-115.3000111.7R148 D149 L154 T232 D234 D282 L292 H293 T456R148-F151 HydrophobicContact CB-CD1 4.02Å; R148-F151 HydrophobicContact CB-CE1 4.38Å; R148-F151 WeakPolarHBondContact O-CE1 3.32Å; D149-F151 PolarHBondContact O-N 2.98Å; F151-L154 HydrophobicContact CE2-CD1 4.02Å; F151-L154 HydrophobicContact CE2-CD2 4.39Å; F151-L154 HydrophobicContact CE2-CG 3.9Å; F151-L154 HydrophobicContact CZ-CD1 4.3Å; F151-T232 VanDerWaalsContact CD2-C 3.45Å; F151-T232 WeakPolarHBondContact CD2-O 3.39Å; F151-T232 WeakPolarHBondContact CE2-O 3.43Å; F151-T232 WeakPolarHBondContact CG-O 3.04Å; F151-T232 VanDerWaalsContact CZ-C 3.5Å; F151-T232 PolarHBondContact N-O 2.82Å; F151-T232 WeakPolarHBondContact O-CA 3.31Å; F151-T232 WeakPolarHBondContact O-CB 3.12Å; F151-T232 WeakPolarHBondContact O-CG2 3.49Å; F151-D234 HydrophobicContact CE1-CB 4.17Å; F151-D234 HydrophobicContact CZ-CB 4.11Å; F151-D282 HydrophobicContact CB-CB 3.97Å; F151-D282 WeakPolarHBondContact CB-O 3.35Å; F151-D282 HydrophobicContact CD1-CB 4.22Å; F151-D282 HydrophobicContact CG-CB 4.35Å; F151-L292 HydrophobicContact CE1-CD2 3.77Å; F151-L292 HydrophobicContact CZ-CD2 3.7Å; F151-H293 AromaticContact CD2-CE1 3.79Å; F151-H293 AromaticContact CD2-NE2 3.7Å; F151-H293 AromaticContact CG-CE1 3.98Å; F151-T456 HydrophobicContact CB-CG2 4.03Å; F151-T456 WeakPolarHBondContact CB-OG1 3.36Å; F151-T456 PolarHBondContact N-OG1 3.43Å
152P93.2Very high77.6Confident60 Ų6052.9 Ų52.939%0.3930%0.302SS..PPolyproline II helixtrans-54.2146.4175.2-26.635.5000112.5L154 D282 H293P152-L154 PolarHBondContact O-N 3.07Å; P152-D282 WeakPolarHBondContact CD-O 3.39Å; P152-H293 PolarHBondContact O-NE2 3.01Å
153P93.6Very high74.3Confident44 Ų4458.7 Ų58.729%0.28634%0.339SS..PPolyproline II helixtrans-55.4140.1-175.4-24.632.1000114.2P227 S229 T232 W284P153-P227 HydrophobicContact CB-CB 3.94Å; P153-P227 HydrophobicContact CG-CB 4.35Å; P153-P227 HydrophobicContact CG-CG 4.49Å; P153-S229 WeakPolarHBondContact CB-O 3.09Å; P153-T232 HydrophobicContact CB-CG2 4.37Å; P153-T232 HydrophobicContact CG-CG2 3.93Å; P153-W284 PolarHBondContact O-NE1 2.69Å; P153-W284 VanDerWaalsContact O-NE1 3.12Å
154L91.7Very high70.9Confident1 Ų165.3 Ų65.31%0.00537%0.374CS..PPolyproline II helixtrans-69.8142.6171.5-64.7166.2000109.9F151 P152 S229 Q231 W237 H293 V296 P303F151-L154 HydrophobicContact CE2-CD1 4.02Å; F151-L154 HydrophobicContact CE2-CD2 4.39Å; F151-L154 HydrophobicContact CE2-CG 3.9Å; F151-L154 HydrophobicContact CZ-CD1 4.3Å; P152-L154 PolarHBondContact O-N 3.07Å; L154-S229 VanDerWaalsContact O-CB 3.22Å; L154-S229 WeakPolarHBondContact O-CB 3.5Å; L154-Q231 HydrophobicContact CD1-CB 4.18Å; L154-Q231 HydrophobicContact CD1-CG 4.1Å; L154-Q231 PolarHBondContact N-O 3.4Å; L154-W237 HydrophobicContact CD1-CH2 3.43Å; L154-W237 VanDerWaalsContact CD1-CH2 3.43Å; L154-W237 HydrophobicContact CD1-CZ2 3.52Å; L154-H293 HydrophobicContact CD2-CB 4.04Å; L154-V296 HydrophobicContact CD2-CB 4.49Å; L154-V296 HydrophobicContact CD2-CG2 4.44Å; L154-P303 HydrophobicContact CB-CB 4.03Å; L154-P303 HydrophobicContact CB-CG 3.6Å; L154-P303 HydrophobicContact CD1-CB 3.8Å; L154-P303 HydrophobicContact CD1-CG 4.16Å
155L85.1Confident67.5Low63 Ų6371.2 Ų71.233%0.3341%0.408SS..PPolyproline II helixtrans-92.4145.8177.3-63.6176.7000110.1W284L155-W284 HydrophobicContact CB-CH2 4.41Å; L155-W284 HydrophobicContact CB-CZ2 3.78Å; L155-W284 HydrophobicContact CD1-CH2 4.44Å; L155-W284 HydrophobicContact CD1-CZ2 3.89Å; L155-W284 HydrophobicContact CG-CZ2 3.68Å
156R69.9Low64.1Low111 Ų11180 Ų8042%0.41945%0.451SS..PPolyproline II helixtrans-96130.5174.9-175.9175.7175.3150.1-8.7110L158 L228R156-L158 PolarHBondContact O-N 3.27Å; R156-L228 HydrophobicContact CB-CB 3.95Å
157N61.9Low60.9Low50 Ų5085.2 Ų85.227%0.26749%0.485SS..PPolyproline II helixtrans-66.4123.1170.1-71.8-16.8000110S159 Q297N157-S159 PolarHBondContact O-N 3.42Å; N157-Q297 PolarHBondContact ND2-O 3.32Å; N157-Q297 WeakPolarHBondContact OD1-CG 3.46Å
158L50.6Low57.6Low135 Ų13595.2 Ų95.271%0.70752%0.524SS*.G310 helixtrans-70.4-13.1177.6-80.4150.4000113.4R156 S160 L228R156-L158 PolarHBondContact O-N 3.27Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.22Å; L158-L228 HydrophobicContact CD1-CD1 4.14Å; L158-L228 HydrophobicContact CD2-CD1 3.91Å; L158-L228 HydrophobicContact CG-CD1 3.89Å
159S47.3Very low54.3Low101 Ų101100 Ų10071%0.70656%0.558SS**G310 helixtrans-80.11.8-171.153.90000116.5N157 T161N157-S159 PolarHBondContact O-N 3.42Å; S159-T161 VanDerWaalsContact C-N 3.26Å; S159-T161 PolarHBondContact O-N 3.2Å
160S36.3Very low51.3Low76 Ų76105.4 Ų105.453%0.53159%0.586SS.*G310 helixtrans-81.10.3175.8590000114.7L158L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.22Å
161T27.5Very low48.1Very low110 Ų110104.1 Ų104.168%0.67559%0.588SS**SBendtrans-140.579.9172.8440000110S159S159-T161 VanDerWaalsContact C-N 3.26Å; S159-T161 PolarHBondContact O-N 3.2Å
162S26.6Very low45Very low112 Ų112110 Ų11078%0.78362%0.624SS**  trans177.8119.3142.1-80.30000109.5
163T25.9Very low41.8Very low129 Ų129115.9 Ų115.979%0.79165%0.646SS**  trans-49.3140.7161.243.50000111.4
164N24.4Very low38.7Very low147 Ų147122.8 Ų122.879%0.78667%0.667SS**SBendtrans39.893.7159.6-64.6-14000116.2
165N24.9Very low35.8Very low155 Ų155127.5 Ų127.583%0.82970%0.697SS**  -173.1125.8126.5-88.2-21000108.4P167N165-P167 WeakPolarHBondContact O-CD 3.44Å
166M26.1Very low33.5Very low187 Ų187128.5 Ų128.592%0.92172%0.715SS**  trans-62.9135.4160-100.5-76.6172.900108.6
167P27Very low31.8Very low110 Ų110128.7 Ų128.771%0.71473%0.733SS**  trans-129142144.225.4-6.2000112.6N165N165-P167 WeakPolarHBondContact O-CD 3.44Å
168Y26Very low30.4Very low216 Ų216128.9 Ų128.985%0.84774%0.738SS**  trans-41.9144.1174.7-92.6-109000115.9
169S24.7Very low29.7Very low105 Ų105129.3 Ų129.373%0.73474%0.741SS**  trans41.385.7149.456.60000117.6S171S169-S171 PolarHBondContact O-N 3.29Å
170L27.4Very low29.2Very low165 Ų165126.3 Ų126.386%0.86472%0.719SS**  trans-81.492.1159.2-85.8145.2000109.4T172L170-T172 PolarHBondContact O-N 3.25Å
171S24.9Very low29Very low105 Ų105128.7 Ų128.773%0.73472%0.722SS**  trans-65.2105.615349.20000107.4S169 E173S169-S171 PolarHBondContact O-N 3.29Å; S171-E173 PolarHBondContact O-N 3.03Å; S171-E173 VanDerWaalsContact O-N 3.1Å
172T30.8Very low29.5Very low127 Ų127127.4 Ų127.478%0.77972%0.717SS**  trans-72.7101.4173.851.10000108.7L170L170-T172 PolarHBondContact O-N 3.25Å
173E25.1Very low30.1Very low185 Ų185123.9 Ų123.986%0.86469%0.689SS**PPolyproline II helixtrans-65.7137.4161.3-74.2-173.5163.700109.7S171S171-E173 PolarHBondContact O-N 3.03Å; S171-E173 VanDerWaalsContact O-N 3.1Å
174R29.1Very low30.6Very low189 Ų189121.1 Ų121.171%0.71367%0.667SS**PPolyproline II helixtrans-79.5130.4-166.6-151.8-179.5-163.1177.31.3109.4A176R174-A176 PolarHBondContact O-N 3.37Å
175P30.3Very low31.2Very low100 Ų100117.3 Ų117.365%0.64966%0.657SS**PPolyproline II helixtrans-74.1125.817926.7-31.8000112S177P175-S177 PolarHBondContact O-N 3.37Å; P175-S177 VanDerWaalsContact O-N 3.15Å
176A36.5Very low31.6Very low84 Ų84116.2 Ų116.269%0.69465%0.647SS**THydrogen-bonded Turntrans-79.925.9-177.600000115R174R174-A176 PolarHBondContact O-N 3.37Å
177S33.8Very low32.2Very low115 Ų115110.2 Ų110.280%0.80462%0.62SS**THydrogen-bonded Turntrans-127.923.7-180790000113.7P175P175-S177 PolarHBondContact O-N 3.37Å; P175-S177 VanDerWaalsContact O-N 3.15Å
178C33.9Very low32.6Very low54 Ų54108.7 Ų108.737%0.36561%0.606SS.*  trans-99.9120.6168.9174.20000108.1C180 E181C178-C180 HydrophobicContact CB-CB 4.4Å; C178-C180 WeakPolarHBondContact CB-SG 3.31Å; C178-C180 PolarHBondContact O-N 2.96Å; C178-C180 WeakPolarHBondContact SG-CB 3.45Å; C178-C180 PolarHBondContact SG-N 3.05Å; C178-C180 VanDerWaalsContact SG-N 3.44Å; C178-C180 CovalentContact SG-SG 2.05Å; C178-C180 PolarHBondContact SG-SG 3.02Å; C178-E181 PolarHBondContact O-N 3.45Å
179D35.2Very low32.9Very low144 Ų144104.3 Ų104.377%0.7760%0.597SS**THydrogen-bonded Turntrans-57.22.1172.3-67.8-33000114E181 S182D179-E181 VanDerWaalsContact C-N 3.27Å; D179-E181 PolarHBondContact O-N 3.46Å; D179-S182 PolarHBondContact O-OG 3.05Å
180C36.1Very low33.1Very low37 Ų37107.8 Ų107.825%0.2560%0.599CS.*THydrogen-bonded Turntrans-71.5-9.6169.558.60000114.9C178 S182 I183 Q184C178-C180 HydrophobicContact CB-CB 4.4Å; C178-C180 WeakPolarHBondContact CB-SG 3.31Å; C178-C180 PolarHBondContact O-N 2.96Å; C178-C180 WeakPolarHBondContact SG-CB 3.45Å; C178-C180 PolarHBondContact SG-N 3.05Å; C178-C180 VanDerWaalsContact SG-N 3.44Å; C178-C180 CovalentContact SG-SG 2.05Å; C178-C180 PolarHBondContact SG-SG 3.02Å; C180-S182 PolarHBondContact O-N 3.1Å; C180-I183 PolarHBondContact O-N 3.01Å; C180-I183 VanDerWaalsContact O-N 3.08Å; C180-Q184 PolarHBondContact O-N 3.28Å
181E33.1Very low33.3Very low127 Ų127107.7 Ų107.759%0.59359%0.591SS**Hα-helixtrans-61.1-31.5170.8-75.7-170.9167.400112.2C178 D179 I183 Q184C178-E181 PolarHBondContact O-N 3.45Å; D179-E181 VanDerWaalsContact C-N 3.27Å; D179-E181 PolarHBondContact O-N 3.46Å; E181-I183 PolarHBondContact O-N 2.56Å; E181-Q184 PolarHBondContact O-N 3.02Å
182S37.5Very low33.5Very low82 Ų82107.8 Ų107.857%0.57359%0.588SS**Hα-helixtrans-62-2717464.50000113.3D179 C180D179-S182 PolarHBondContact O-OG 3.05Å; C180-S182 PolarHBondContact O-N 3.1Å
183I39Very low33.3Very low38 Ų38110.1 Ų110.120%0.19559%0.59CS.*Hα-helixtrans-88.2-30.6-173.7-57.8176.7000111.8C180 E181 A185 E186 V187 F287C180-I183 PolarHBondContact O-N 3.01Å; C180-I183 VanDerWaalsContact O-N 3.08Å; E181-I183 PolarHBondContact O-N 2.56Å; I183-A185 VanDerWaalsContact C-N 3.26Å; I183-A185 PolarHBondContact O-N 2.92Å; I183-E186 PolarHBondContact O-N 2.91Å; I183-V187 HydrophobicContact CG2-CG2 4.34Å; I183-V187 WeakPolarHBondContact O-CG2 3.24Å; I183-V187 PolarHBondContact O-N 3.38Å; I183-V187 VanDerWaalsContact O-N 3.12Å; I183-F287 HydrophobicContact CG2-CE2 4.24Å
184Q37.3Very low33.6Very low71 Ų71106.7 Ų106.733%0.33259%0.586SS.*Hα-helixtrans-62.9-38.1174-172.463.347.600110.5C180 E181 V187 D188C180-Q184 PolarHBondContact O-N 3.28Å; E181-Q184 PolarHBondContact O-N 3.02Å; Q184-V187 PolarHBondContact O-N 2.81Å; Q184-D188 VanDerWaalsContact NE2-CG 3.3Å; Q184-D188 PolarHBondContact NE2-OD1 3.29Å; Q184-D188 VanDerWaalsContact NE2-OD1 3.08Å; Q184-D188 PolarHBondContact NE2-OD2 3.46Å; Q184-D188 WeakPolarHBondContact O-CB 3.23Å; Q184-D188 VanDerWaalsContact O-CG 3.29Å; Q184-D188 PolarHBondContact O-N 2.86Å; Q184-D188 VanDerWaalsContact O-N 3.07Å
185A35.9Very low33.6Very low68 Ų68106.8 Ų106.856%0.56259%0.592SS**Hα-helixtrans-64.6-38.917700000113.3I183 L189I183-A185 VanDerWaalsContact C-N 3.26Å; I183-A185 PolarHBondContact O-N 2.92Å; A185-L189 PolarHBondContact O-N 2.77Å
186E34.7Very low33.3Very low132 Ų132109.8 Ų109.862%0.61760%0.602SS**Hα-helixtrans-73-36.9177.6-89.5-173.4155.100112.9I183 L189 F190I183-E186 PolarHBondContact O-N 2.91Å; E186-L189 WeakPolarHBondContact O-CB 3.45Å; E186-L189 PolarHBondContact O-N 2.85Å; E186-F190 VanDerWaalsContact O-CD2 3.3Å; E186-F190 WeakPolarHBondContact O-CD2 3.16Å
187V37.2Very low33Very low61 Ų61114.4 Ų114.437%0.3761%0.614SS.*Hα-helixtrans-73.8-33.6-179.8175.70000112I183 Q184 L189 F190I183-V187 HydrophobicContact CG2-CG2 4.34Å; I183-V187 WeakPolarHBondContact O-CG2 3.24Å; I183-V187 PolarHBondContact O-N 3.38Å; I183-V187 VanDerWaalsContact O-N 3.12Å; Q184-V187 PolarHBondContact O-N 2.81Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 3.13Å; V187-F190 PolarHBondContact O-N 2.78Å
188D35.8Very low32.5Very low77 Ų77113.4 Ų113.441%0.41261%0.608SS.*Hα-helixtrans-68.9-28.8175.9-70.2-27.5000111.9Q184 F190 K191 T192Q184-D188 VanDerWaalsContact NE2-CG 3.3Å; Q184-D188 PolarHBondContact NE2-OD1 3.29Å; Q184-D188 VanDerWaalsContact NE2-OD1 3.08Å; Q184-D188 PolarHBondContact NE2-OD2 3.46Å; Q184-D188 WeakPolarHBondContact O-CB 3.23Å; Q184-D188 VanDerWaalsContact O-CG 3.29Å; Q184-D188 PolarHBondContact O-N 2.86Å; Q184-D188 VanDerWaalsContact O-N 3.07Å; D188-F190 VanDerWaalsContact C-N 3.31Å; D188-F190 PolarHBondContact O-N 2.78Å; D188-K191 PolarHBondContact O-N 3.01Å; D188-T192 PolarHBondContact O-N 3.24Å
189L32Very low32.1Very low125 Ų125117.3 Ų117.365%0.65462%0.623SS**Hα-helixtrans-65.1-31.8173.8-168.165.7000112.9A185 E186 V187 K191 T192A185-L189 PolarHBondContact O-N 2.77Å; E186-L189 WeakPolarHBondContact O-CB 3.45Å; E186-L189 PolarHBondContact O-N 2.85Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 3.13Å; L189-K191 VanDerWaalsContact C-N 3.35Å; L189-T192 PolarHBondContact O-OG1 3.39Å
190F29.5Very low31.6Very low177 Ų177121.5 Ų121.578%0.77663%0.63SS**Hα-helixtrans-79.2-13.8176.8-79.3-74.5000114E186 V187 D188E186-F190 VanDerWaalsContact O-CD2 3.3Å; E186-F190 WeakPolarHBondContact O-CD2 3.16Å; V187-F190 PolarHBondContact O-N 2.78Å; D188-F190 VanDerWaalsContact C-N 3.31Å; D188-F190 PolarHBondContact O-N 2.78Å
191K31.8Very low30.9Very low163 Ų163124.5 Ų124.571%0.70965%0.651SS**Hα-helixtrans-92.1-17.1177-74.4-176.6179.2175.10113.6D188 L189 Q193D188-K191 PolarHBondContact O-N 3.01Å; L189-K191 VanDerWaalsContact C-N 3.35Å; K191-Q193 PolarHBondContact O-N 2.69Å
192T28.9Very low30.5Very low108 Ų108130.3 Ų130.366%0.66367%0.668SS**  trans-8658.417446.30000112.3D188 L189D188-T192 PolarHBondContact O-N 3.24Å; L189-T192 PolarHBondContact O-OG1 3.39Å
193Q27Very low30Very low176 Ų176131.1 Ų131.182%0.82267%0.674SS**  trans-138.269.4158.3-77.6-167.8-0.800109.5K191K191-Q193 PolarHBondContact O-N 2.69Å
194S31.5Very low29.3Very low112 Ų112134.3 Ų134.378%0.78370%0.699SS**SBendtrans-165.9107.5153.7-93.30000112.5
195K28.2Very low28.9Very low192 Ų192139.2 Ų139.284%0.83572%0.722SS**  trans56.8105.4147.2-66.8-179176.4178.50118.9L197K195-L197 PolarHBondContact O-N 3.12Å
196N25Very low28.2Very low162 Ų162145.6 Ų145.687%0.86674%0.737SS**  19.896.9124.7-67.8-24.6000116.1
197L29.9Very low27.7Very low181 Ų181146.5 Ų146.595%0.94875%0.745SS**  trans-130.3114.4138.7-113.6101.2000109K195K195-L197 PolarHBondContact O-N 3.12Å
198S23.2Very low27.2Very low95 Ų95149 Ų14966%0.66476%0.762SS**  trans-80.9158.3179.455.30000111.7
199I24.9Very low26.8Very low136 Ų136153.3 Ų153.370%0.69778%0.784SS**  trans81.494.3157.7-51.5154000115
200Y24.7Very low26.4Very low231 Ų231151.9 Ų151.991%0.90679%0.785SS**  -151.4112.6112.8-104.9-78.9000109.3
201S22.7Very low26.2Very low100 Ų100149.9 Ų149.970%0.69979%0.787SS**  trans-87.9154.2172.1-63.60000110.6
202R23.2Very low26Very low249 Ų249149.1 Ų149.194%0.9479%0.791SS**  trans72.6110.5158.2-69.7178.3172172.8-2.8118.1
203S28Very low26Very low100 Ų100152.1 Ų152.170%0.69980%0.797SS**  -159.9121.5108.1-170.10000111.1
204S24.8Very low25.9Very low104 Ų104150.4 Ų150.473%0.72780%0.799SS**  trans-88.7111.5168.848.40000109
205H27.9Very low25.7Very low174 Ų174148.1 Ų148.181%0.80679%0.792SS**  trans-130.993.4161.3-80.1-28.3000109.9
206F20.7Very low25.5Very low203 Ų203145.1 Ų145.189%0.8980%0.795SS**  trans-67.6129.2153.6-93.2-100.5000108.8
207I25.8Very low25.7Very low151 Ų151145.7 Ų145.777%0.77479%0.793SS**  trans-130.7118.1153.2-61.1178.5000106.2
208P25.6Very low25.5Very low114 Ų114142 Ų14274%0.7478%0.783SS**  trans-84.8133.3177.232.4-28.1000109.4
209L27.5Very low25.9Very low166 Ų166143 Ų14387%0.86979%0.785SS**  trans-115.1132.4165.1-13980.1000110
210S24.7Very low26.1Very low95 Ų95144 Ų14466%0.66479%0.791SS**  trans-63.4152.1-164.934.50000115.7D212S210-D212 PolarHBondContact O-N 2.96Å
211T24.3Very low26.3Very low135 Ų135139.4 Ų139.483%0.82878%0.781SS**  trans-61.6112162.945.90000110.9
212D27.9Very low26.7Very low148 Ų148140.2 Ų140.279%0.79178%0.784SS**  trans-130.4116.9157.4-87.6-39.3000111S210S210-D212 PolarHBondContact O-N 2.96Å
213H28.1Very low27Very low171 Ų171132.6 Ų132.679%0.79277%0.769SS**  trans-7.3133.3157-78.9-78.4000120.7
214V25.3Very low27.4Very low140 Ų140132.9 Ų132.985%0.84877%0.769SS**  trans76.1108.4131.7-178.40000117.7
215G26.8Very low28.2Very low63 Ų63138.1 Ų138.165%0.64977%0.774SS**  trans171.182.1161.800000109.9Q217G215-Q217 PolarHBondContact O-N 3.23Å
216S25.1Very low29.3Very low129 Ų129135.7 Ų135.790%0.90277%0.766SS**  trans-64.475170.255.10000110
217Q28.3Very low30.8Very low174 Ų174129 Ų12981%0.81374%0.742SS**  trans-85.7118.2161-69.7-168.3-0.400106.3G215 T219G215-Q217 PolarHBondContact O-N 3.23Å; Q217-T219 PolarHBondContact O-N 3.4Å
218S26.6Very low32.7Very low105 Ų105126.7 Ų126.773%0.73473%0.731SS**  trans-43.5109.2174.758.10000109N220S218-N220 PolarHBondContact O-N 3.47Å
219T30Very low35.1Very low116 Ų116122.2 Ų122.271%0.71270%0.703SS**  trans-58.6116.6165.8450000105.1Q217 I221Q217-T219 PolarHBondContact O-N 3.4Å; T219-I221 PolarHBondContact O-N 3.06Å
220N30Very low37.8Very low156 Ų156120.5 Ų120.583%0.83470%0.698SS**  trans-6083.1163.3-82.9-42.6000106.1S218 P222S218-N220 PolarHBondContact O-N 3.47Å; N220-P222 WeakPolarHBondContact O-CD 3.08Å; N220-P222 VanDerWaalsContact O-N 3.09Å
221I29.3Very low40.9Very low135 Ų135118.8 Ų118.869%0.69268%0.68SS**  trans-57.2113.1163.9-62.5173.2000103.5T219 S223T219-I221 PolarHBondContact O-N 3.06Å; I221-S223 PolarHBondContact O-N 3.33Å
222P30.8Very low44.2Very low117 Ų117115 Ų11576%0.7666%0.657SS**  trans-56.9118.8176.6-19.832.2000106.5N220N220-P222 WeakPolarHBondContact O-CD 3.08Å; N220-P222 VanDerWaalsContact O-N 3.09Å
223S28.5Very low47.3Very low89 Ų89109 Ų10962%0.62263%0.626SS**  trans-45.5129.1178.2179.60000108.7I221 Y225I221-S223 PolarHBondContact O-N 3.33Å; S223-Y225 PolarHBondContact O-N 2.83Å; S223-Y225 VanDerWaalsContact O-N 3.08Å
224P36.8Very low50.5Low106 Ų106100.9 Ų100.969%0.68859%0.589SS**  trans-53.9123.3179.221.4-31.2000107.8I226P224-I226 VanDerWaalsContact C-N 3.34Å; P224-I226 WeakPolarHBondContact O-CG1 3.4Å; P224-I226 PolarHBondContact O-N 3.07Å
225Y42.9Very low53.7Low213 Ų21397.4 Ų97.484%0.83557%0.57SS**  trans-46.194-177.2-117.6-98.6000110S223 P227S223-Y225 PolarHBondContact O-N 2.83Å; S223-Y225 VanDerWaalsContact O-N 3.08Å; Y225-P227 VanDerWaalsContact O-CD 3.28Å; Y225-P227 WeakPolarHBondContact O-CD 3.46Å
226I49.5Very low56.6Low124 Ų12495.6 Ų95.664%0.63655%0.551SS**  trans-71.2119.5172.2-59.8177.7000104.8P224 L228P224-I226 VanDerWaalsContact C-N 3.34Å; P224-I226 WeakPolarHBondContact O-CG1 3.4Å; P224-I226 PolarHBondContact O-N 3.07Å; I226-L228 PolarHBondContact O-N 3.18Å
227P51.9Low59.8Low62 Ų6290.2 Ų90.240%0.40351%0.511SS..  trans-56.2111.2175.6-19.830.8000108.7P153 Y225 S229P153-P227 HydrophobicContact CB-CB 3.94Å; P153-P227 HydrophobicContact CG-CB 4.35Å; P153-P227 HydrophobicContact CG-CG 4.49Å; Y225-P227 VanDerWaalsContact O-CD 3.28Å; Y225-P227 WeakPolarHBondContact O-CD 3.46Å; P227-S229 PolarHBondContact O-N 3.34Å
228L66.4Low63Low103 Ų10382 Ų8254%0.53947%0.473SS..SBendtrans-66.3-8.5-175.3-69.9172.8000113.2R156 L158 I226R156-L228 HydrophobicContact CB-CB 3.95Å; L158-L228 HydrophobicContact CD1-CD1 4.14Å; L158-L228 HydrophobicContact CD2-CD1 3.91Å; L158-L228 HydrophobicContact CG-CD1 3.89Å; I226-L228 PolarHBondContact O-N 3.18Å
229S77.1Confident66.3Low20 Ų2077 Ų7714%0.1444%0.438CS..  trans-130.5138.4167.5166.40000109.7P153 L154 P227 Q231P153-S229 WeakPolarHBondContact CB-O 3.09Å; L154-S229 VanDerWaalsContact O-CB 3.22Å; L154-S229 WeakPolarHBondContact O-CB 3.5Å; P227-S229 PolarHBondContact O-N 3.34Å; S229-Q231 VanDerWaalsContact C-N 3.28Å; S229-Q231 WeakPolarHBondContact OG-CB 3.42Å; S229-Q231 PolarHBondContact OG-N 2.92Å
230V83Confident69.5Low129 Ų12971.4 Ų71.478%0.78240%0.404SS*.  trans-90.58.8176.1-63.50000112.2T232V230-T232 PolarHBondContact O-N 3.16Å; V230-T232 VanDerWaalsContact O-N 3.15Å
231Q90.1Very high72.8Confident60 Ų6064 Ų6428%0.2836%0.364SS..  trans-77.1107.4-173.1-16470.224.300110.2L154 S229 S233 W237 P303L154-Q231 HydrophobicContact CD1-CB 4.18Å; L154-Q231 HydrophobicContact CD1-CG 4.1Å; L154-Q231 PolarHBondContact N-O 3.4Å; S229-Q231 VanDerWaalsContact C-N 3.28Å; S229-Q231 WeakPolarHBondContact OG-CB 3.42Å; S229-Q231 PolarHBondContact OG-N 2.92Å; Q231-S233 WeakPolarHBondContact CG-O 3.42Å; Q231-S233 PolarHBondContact NE2-O 2.69Å; Q231-W237 HydrophobicContact CG-CZ2 3.78Å; Q231-W237 VanDerWaalsContact NE2-NE1 3.18Å; Q231-P303 HydrophobicContact CB-CB 3.88Å; Q231-P303 HydrophobicContact CG-CB 4.2Å
232T93.5Very high76Confident55 Ų5557.7 Ų57.734%0.33733%0.331SS..  trans-111.58.3178.555.50000113.1D149 D150 F151 P153 V230D149-T232 CarbonylContact C-O 3.6Å; D150-T232 PolarHBondContact N-O 2.86Å; D150-T232 VanDerWaalsContact N-O 3.09Å; F151-T232 VanDerWaalsContact CD2-C 3.45Å; F151-T232 WeakPolarHBondContact CD2-O 3.39Å; F151-T232 WeakPolarHBondContact CE2-O 3.43Å; F151-T232 WeakPolarHBondContact CG-O 3.04Å; F151-T232 VanDerWaalsContact CZ-C 3.5Å; F151-T232 PolarHBondContact N-O 2.82Å; F151-T232 WeakPolarHBondContact O-CA 3.31Å; F151-T232 WeakPolarHBondContact O-CB 3.12Å; F151-T232 WeakPolarHBondContact O-CG2 3.49Å; P153-T232 HydrophobicContact CB-CG2 4.37Å; P153-T232 HydrophobicContact CG-CG2 3.93Å; V230-T232 PolarHBondContact O-N 3.16Å; V230-T232 VanDerWaalsContact O-N 3.15Å
233S93.9Very high79.3Confident22 Ų2252.1 Ų52.115%0.15430%0.295CS..  trans-141.7145.3174.1179.20000111.3R148 Q231 C235 W237R148-S233 WeakPolarHBondContact O-CA 3.27Å; R148-S233 PolarHBondContact O-OG 3.1Å; Q231-S233 WeakPolarHBondContact CG-O 3.42Å; Q231-S233 PolarHBondContact NE2-O 2.69Å; S233-C235 WeakPolarHBondContact OG-CB 3.43Å; S233-C235 PolarHBondContact OG-N 3.07Å; S233-C235 VanDerWaalsContact OG-N 3.16Å; S233-W237 PolarHBondContact O-NE1 3.14Å
234D94.6Very high82.6Confident0 Ų047.9 Ų47.90%027%0.266CS..  trans-99.66173.475.9-55000114Y147 R148 F151 G236 W237 G238 R242 L292Y147-D234 WeakPolarHBondContact CA-OD1 3.11Å; Y147-D234 WeakPolarHBondContact CD1-O 3.49Å; Y147-D234 WeakPolarHBondContact CD1-OD2 2.93Å; Y147-D234 VanDerWaalsContact CE1-O 3.25Å; Y147-D234 WeakPolarHBondContact CE1-O 3.27Å; R148-D234 PolarHBondContact N-OD1 3.28Å; R148-D234 PolarHBondContact O-N 3.05Å; R148-D234 VanDerWaalsContact O-N 3.13Å; R148-D234 VanDerWaalsContact O-OD1 3.11Å; F151-D234 HydrophobicContact CE1-CB 4.17Å; F151-D234 HydrophobicContact CZ-CB 4.11Å; D234-G236 PolarHBondContact O-N 2.77Å; D234-W237 HydrophobicContact CB-CH2 4.27Å; D234-W237 HydrophobicContact CB-CZ2 3.79Å; D234-W237 PolarHBondContact O-N 3.28Å; D234-W237 VanDerWaalsContact O-N 3.14Å; D234-G238 PolarHBondContact O-N 2.87Å; D234-R242 IonicContact OD1-CZ 4Å; D234-R242 IonicContact OD1-NE 3.73Å; D234-R242 PolarHBondContact OD1-NE 3Å; D234-R242 IonicContact OD1-NH2 3.37Å; D234-R242 PolarHBondContact OD1-NH2 3.31Å; D234-R242 WeakPolarHBondContact OD2-CG 3.46Å; D234-R242 IonicContact OD2-CZ 3.05Å; D234-R242 IonicContact OD2-NE 2.63Å; D234-R242 PolarHBondContact OD2-NE 2.88Å; D234-R242 IonicContact OD2-NH2 2.8Å; D234-L292 HydrophobicContact CB-CD2 3.59Å
235C92.1Very high85.6Confident67 Ų6742.8 Ų42.845%0.45323%0.233SC..THydrogen-bonded Turntrans-53.6124.3178.8-174.30000111.5S233 W237 T453S233-C235 WeakPolarHBondContact OG-CB 3.43Å; S233-C235 PolarHBondContact OG-N 3.07Å; S233-C235 VanDerWaalsContact OG-N 3.16Å; C235-W237 VanDerWaalsContact C-N 3.35Å; C235-W237 PolarHBondContact O-N 3.19Å; C235-T453 PolarHBondContact SG-OG1 2.69Å
236G88Confident88.2Confident25 Ų2532.7 Ų32.726%0.25819%0.193SC..THydrogen-bonded Turntrans81.22.3176.400000116D234 K432D234-G236 PolarHBondContact O-N 2.77Å; G236-K432 VanDerWaalsContact O-CE 3.27Å; G236-K432 WeakPolarHBondContact O-CE 3.39Å; G236-K432 WeakPolarHBondContact O-CG 3.25Å
237W92.2Very high90.6Very high17 Ų1726.9 Ų26.96%0.06416%0.163CC..THydrogen-bonded Turntrans-143.3-28.2175.165-89.2000114.4L154 Q231 S233 D234 C235 C239 F241 V296 P303 G304L154-W237 HydrophobicContact CD1-CH2 3.43Å; L154-W237 VanDerWaalsContact CD1-CH2 3.43Å; L154-W237 HydrophobicContact CD1-CZ2 3.52Å; Q231-W237 HydrophobicContact CG-CZ2 3.78Å; Q231-W237 VanDerWaalsContact NE2-NE1 3.18Å; S233-W237 PolarHBondContact O-NE1 3.14Å; D234-W237 HydrophobicContact CB-CH2 4.27Å; D234-W237 HydrophobicContact CB-CZ2 3.79Å; D234-W237 PolarHBondContact O-N 3.28Å; D234-W237 VanDerWaalsContact O-N 3.14Å; C235-W237 VanDerWaalsContact C-N 3.35Å; C235-W237 PolarHBondContact O-N 3.19Å; W237-C239 VanDerWaalsContact C-N 3.31Å; W237-C239 PolarHBondContact O-N 2.99Å; W237-F241 HydrophobicContact CE3-CD2 4.49Å; W237-F241 HydrophobicContact CE3-CE2 4.31Å; W237-F241 HydrophobicContact CZ3-CD2 4.07Å; W237-F241 AromaticContact CZ3-CE2 3.83Å; W237-F241 HydrophobicContact CZ3-CE2 3.83Å; W237-V296 HydrophobicContact CH2-CG2 3.93Å; W237-V296 HydrophobicContact CZ3-CG2 4.02Å; W237-P303 HydrophobicContact CH2-CB 4.45Å; W237-G304 WeakPolarHBondContact CB-O 3.49Å; W237-G304 VanDerWaalsContact CD2-N 3.34Å
238G95.2Very high92.8Very high0 Ų024 Ų240%014%0.144CC..THydrogen-bonded Turntrans-75.5-1.9-174.400000117.1D234 M240 F241 R242D234-G238 PolarHBondContact O-N 2.87Å; G238-M240 VanDerWaalsContact C-N 3.27Å; G238-M240 PolarHBondContact O-N 2.91Å; G238-M240 VanDerWaalsContact O-N 3.09Å; G238-F241 WeakPolarHBondContact O-CA 3.17Å; G238-F241 WeakPolarHBondContact O-CB 3.35Å; G238-F241 PolarHBondContact O-N 2.81Å; G238-R242 PolarHBondContact O-N 3.09Å
239C96.2Very high94.4Very high0 Ų019 Ų190%012%0.119CC..Hα-helixtrans-56.4-39.2-165.149.80000113.1Y147 W237 R242 C243 P450Y147-C239 HydrophobicContact CE1-CB 4.01Å; Y147-C239 VanDerWaalsContact CE1-N 3.31Å; Y147-C239 VanDerWaalsContact OH-CB 3.31Å; Y147-C239 WeakPolarHBondContact OH-CB 3.48Å; W237-C239 VanDerWaalsContact C-N 3.31Å; W237-C239 PolarHBondContact O-N 2.99Å; C239-R242 PolarHBondContact O-N 2.98Å; C239-C243 PolarHBondContact O-N 3.26Å; C239-C243 PolarHBondContact O-SG 2.77Å; C239-P450 HydrophobicContact CB-CG 3.86Å
240M97.9Very high95.4Very high0 Ų018.5 Ų18.50%011%0.114CC..Hα-helixtrans-70.6-35.2177.2-172.859.168.200112.7G238 R242 C243 G244 C307 P309 I312 I427 S434G238-M240 VanDerWaalsContact C-N 3.27Å; G238-M240 PolarHBondContact O-N 2.91Å; G238-M240 VanDerWaalsContact O-N 3.09Å; M240-R242 VanDerWaalsContact C-N 3.33Å; M240-C243 WeakPolarHBondContact O-CB 3.31Å; M240-C243 PolarHBondContact O-N 2.89Å; M240-C243 HydrophobicContact SD-CB 4.24Å; M240-G244 PolarHBondContact O-N 2.93Å; M240-C307 WeakPolarHBondContact CB-O 3.27Å; M240-C307 WeakPolarHBondContact CG-O 3.43Å; M240-P309 HydrophobicContact CE-CG 3.67Å; M240-P309 HydrophobicContact SD-CG 4.34Å; M240-I312 HydrophobicContact CG-CB 4.05Å; M240-I312 HydrophobicContact CG-CG2 3.64Å; M240-I312 HydrophobicContact SD-CG2 3.9Å; M240-I427 HydrophobicContact SD-CB 4.32Å; M240-I427 HydrophobicContact SD-CD1 4.11Å; M240-I427 HydrophobicContact SD-CG1 4.39Å; M240-S434 WeakPolarHBondContact CE-OG 3.36Å
241F98.2Very high96.1Very high0 Ų012.3 Ų12.30%08%0.077CC..Hα-helixtrans-61.4-45.4172.9-70.4-79.6000110.7W237 G238 C243 G244 Q245 L292 L295 V296 S299 C307 I312W237-F241 HydrophobicContact CE3-CD2 4.49Å; W237-F241 HydrophobicContact CE3-CE2 4.31Å; W237-F241 HydrophobicContact CZ3-CD2 4.07Å; W237-F241 AromaticContact CZ3-CE2 3.83Å; W237-F241 HydrophobicContact CZ3-CE2 3.83Å; G238-F241 WeakPolarHBondContact O-CA 3.17Å; G238-F241 WeakPolarHBondContact O-CB 3.35Å; G238-F241 PolarHBondContact O-N 2.81Å; F241-C243 VanDerWaalsContact C-N 3.35Å; F241-C243 PolarHBondContact O-N 3.15Å; F241-G244 PolarHBondContact O-N 3.09Å; F241-G244 VanDerWaalsContact O-N 3.14Å; F241-Q245 WeakPolarHBondContact O-CG 3.43Å; F241-Q245 PolarHBondContact O-N 2.83Å; F241-L292 HydrophobicContact CB-CD1 3.48Å; F241-L292 VanDerWaalsContact CB-CD1 3.48Å; F241-L292 HydrophobicContact CD1-CD1 4.43Å; F241-L292 HydrophobicContact CD2-CD1 4.43Å; F241-L292 HydrophobicContact CG-CD1 3.9Å; F241-L295 HydrophobicContact CD1-CB 3.92Å; F241-L295 HydrophobicContact CE1-CB 4.35Å; F241-V296 HydrophobicContact CD1-CG2 4.18Å; F241-V296 HydrophobicContact CD2-CG2 4.34Å; F241-V296 HydrophobicContact CE1-CB 4.4Å; F241-V296 HydrophobicContact CE1-CG2 3.88Å; F241-V296 HydrophobicContact CE2-CG2 4.05Å; F241-V296 HydrophobicContact CG-CG2 4.39Å; F241-V296 HydrophobicContact CZ-CB 4.38Å; F241-V296 HydrophobicContact CZ-CG2 3.81Å; F241-S299 WeakPolarHBondContact CZ-OG 3.43Å; F241-C307 HydrophobicContact CD2-CB 4.13Å; F241-C307 HydrophobicContact CE1-CB 4.2Å; F241-C307 HydrophobicContact CE2-CB 3.45Å; F241-C307 VanDerWaalsContact CE2-CB 3.45Å; F241-C307 HydrophobicContact CZ-CB 3.5Å; F241-C307 VanDerWaalsContact CZ-CB 3.5Å; F241-I312 HydrophobicContact CD1-CD1 3.57Å; F241-I312 HydrophobicContact CE1-CD1 4.14Å; F241-I312 HydrophobicContact CG-CD1 4.3Å
242R98.2Very high96.5Very high2 Ų29.5 Ų9.51%0.0086%0.063CC..Hα-helixtrans-62.1-39.5175.1-60.6-52.8-176.5172.67.3112.8F145 T146 Y147 D234 G238 C239 M240 Q245 M246 D282 P450F145-R242 HydrophobicContact CB-CB 4.46Å; F145-R242 WeakPolarHBondContact O-CB 3.47Å; T146-R242 WeakPolarHBondContact O-CD 3.5Å; T146-R242 PolarHBondContact O-NE 3.3Å; T146-R242 VanDerWaalsContact O-NE 3.15Å; Y147-R242 HydrophobicContact CD1-CG 4.49Å; D234-R242 IonicContact OD1-CZ 4Å; D234-R242 IonicContact OD1-NE 3.73Å; D234-R242 PolarHBondContact OD1-NE 3Å; D234-R242 IonicContact OD1-NH2 3.37Å; D234-R242 PolarHBondContact OD1-NH2 3.31Å; D234-R242 WeakPolarHBondContact OD2-CG 3.46Å; D234-R242 IonicContact OD2-CZ 3.05Å; D234-R242 IonicContact OD2-NE 2.63Å; D234-R242 PolarHBondContact OD2-NE 2.88Å; D234-R242 IonicContact OD2-NH2 2.8Å; G238-R242 PolarHBondContact O-N 3.09Å; C239-R242 PolarHBondContact O-N 2.98Å; M240-R242 VanDerWaalsContact C-N 3.33Å; R242-Q245 PolarHBondContact O-N 3.2Å; R242-M246 WeakPolarHBondContact O-CG 3.37Å; R242-M246 PolarHBondContact O-N 2.93Å; R242-D282 IonicContact CZ-OD1 3.49Å; R242-D282 IonicContact CZ-OD2 3.5Å; R242-D282 VanDerWaalsContact CZ-OD2 3.3Å; R242-D282 VanDerWaalsContact NH1-CG 3.28Å; R242-D282 IonicContact NH1-OD1 2.75Å; R242-D282 PolarHBondContact NH1-OD1 3.47Å; R242-D282 IonicContact NH1-OD2 3.64Å; R242-D282 PolarHBondContact NH1-OD2 2.97Å; R242-D282 IonicContact NH2-OD1 2.91Å; R242-D282 PolarHBondContact NH2-OD1 3.39Å; R242-D282 IonicContact NH2-OD2 3.57Å; R242-D282 PolarHBondContact NH2-OD2 3.34Å; R242-P450 HydrophobicContact CB-CB 3.65Å; R242-P450 HydrophobicContact CG-CB 4.39Å
243C98.7Very high96.7Very high0 Ų07 Ų70%05%0.048CC..Hα-helixtrans-60.6-45.1171.4-66.70000111.9C239 M240 F241 M246 L247 I427 S435C239-C243 PolarHBondContact O-N 3.26Å; C239-C243 PolarHBondContact O-SG 2.77Å; M240-C243 WeakPolarHBondContact O-CB 3.31Å; M240-C243 PolarHBondContact O-N 2.89Å; M240-C243 HydrophobicContact SD-CB 4.24Å; F241-C243 VanDerWaalsContact C-N 3.35Å; F241-C243 PolarHBondContact O-N 3.15Å; C243-M246 PolarHBondContact O-N 3.09Å; C243-L247 PolarHBondContact O-N 3.42Å; C243-I427 HydrophobicContact CB-CB 4.01Å; C243-I427 HydrophobicContact CB-CG2 3.68Å; C243-I427 WeakPolarHBondContact O-CG2 3.22Å; C243-S435 VanDerWaalsContact SG-CA 3.56Å
244G98.7Very high96.8Very high0 Ų06.5 Ų6.50%04%0.044CC..Hα-helixtrans-61.5-41.1175.100000113.1M240 F241 L247 L248M240-G244 PolarHBondContact O-N 2.93Å; F241-G244 PolarHBondContact O-N 3.09Å; F241-G244 VanDerWaalsContact O-N 3.14Å; G244-L247 PolarHBondContact O-N 3.02Å; G244-L248 WeakPolarHBondContact O-CB 3.35Å; G244-L248 PolarHBondContact O-N 3.09Å
245Q98.7Very high97Very high0 Ų06.9 Ų6.90%05%0.046CC..Hα-helixtrans-59.7-47172.7-70.9-175.3-51.900111.1F145 F241 R242 L247 L248 A249 F280 L290 L295F145-Q245 HydrophobicContact CB-CB 4.13Å; F145-Q245 HydrophobicContact CD1-CB 4.37Å; F145-Q245 HydrophobicContact CD2-CB 3.87Å; F145-Q245 HydrophobicContact CE2-CB 4.43Å; F145-Q245 HydrophobicContact CG-CB 3.85Å; F241-Q245 WeakPolarHBondContact O-CG 3.43Å; F241-Q245 PolarHBondContact O-N 2.83Å; R242-Q245 PolarHBondContact O-N 3.2Å; Q245-L247 PolarHBondContact O-N 3.25Å; Q245-L248 PolarHBondContact O-N 2.95Å; Q245-A249 WeakPolarHBondContact O-CB 3.37Å; Q245-A249 PolarHBondContact O-N 3.01Å; Q245-F280 HydrophobicContact CB-CD1 3.92Å; Q245-F280 HydrophobicContact CB-CE1 4.13Å; Q245-F280 HydrophobicContact CG-CD1 3.79Å; Q245-F280 HydrophobicContact CG-CE1 4.21Å; Q245-F280 PolarHBondContact NE2-O 3.24Å; Q245-L290 PolarHBondContact NE2-O 2.97Å; Q245-L295 HydrophobicContact CG-CD1 3.43Å; Q245-L295 VanDerWaalsContact CG-CD1 3.43Å
246M98.8Very high97.1Very high1 Ų15.5 Ų5.51%0.0053%0.032CC..Hα-helixtrans-61-43.4177.5-72.3-175.8-81.700112.6F145 R242 C243 Q250 Y436 L448 P450F145-M246 HydrophobicContact CB-CG 3.98Å; F145-M246 HydrophobicContact CD2-CB 4.3Å; F145-M246 HydrophobicContact CD2-CG 3.6Å; F145-M246 HydrophobicContact CG-CG 4.29Å; F145-M246 WeakPolarHBondContact O-CE 3.21Å; R242-M246 WeakPolarHBondContact O-CG 3.37Å; R242-M246 PolarHBondContact O-N 2.93Å; C243-M246 PolarHBondContact O-N 3.09Å; M246-Q250 WeakPolarHBondContact O-CB 3.19Å; M246-Q250 PolarHBondContact O-N 3.43Å; M246-Y436 HydrophobicContact CB-CD1 3.4Å; M246-Y436 HydrophobicContact CB-CD2 4.45Å; M246-Y436 HydrophobicContact CB-CE1 3.73Å; M246-Y436 HydrophobicContact CB-CG 3.8Å; M246-Y436 HydrophobicContact CE-CD1 4.49Å; M246-Y436 HydrophobicContact CE-CG 4.46Å; M246-Y436 HydrophobicContact CG-CD1 4.12Å; M246-Y436 HydrophobicContact SD-CD1 3.82Å; M246-Y436 HydrophobicContact SD-CG 4.36Å; M246-L448 HydrophobicContact CE-CB 4.48Å; M246-L448 HydrophobicContact SD-CB 3.69Å; M246-L448 HydrophobicContact SD-CD1 4.02Å; M246-L448 HydrophobicContact SD-CG 4.48Å; M246-P450 HydrophobicContact CE-CB 4Å
247L98.9Very high97.5Very high1 Ų16.2 Ų6.21%0.0053%0.03CC..Hα-helixtrans-63.7-47.9177.3-177.3152.3000111.7C243 G244 Q245 Q250 A251 L393 L395 I427 Y436C243-L247 PolarHBondContact O-N 3.42Å; G244-L247 PolarHBondContact O-N 3.02Å; Q245-L247 PolarHBondContact O-N 3.25Å; L247-Q250 PolarHBondContact O-N 2.63Å; L247-A251 PolarHBondContact O-N 3.09Å; L247-L393 HydrophobicContact CD2-CD1 4.47Å; L247-L395 HydrophobicContact CD2-CD2 3.5Å; L247-L395 VanDerWaalsContact CD2-CD2 3.5Å; L247-I427 HydrophobicContact CB-CG2 3.92Å; L247-I427 HydrophobicContact CD1-CD1 4.32Å; L247-I427 HydrophobicContact CD1-CG1 4.14Å; L247-I427 HydrophobicContact CD1-CG2 3.83Å; L247-Y436 HydrophobicContact CB-CD2 4.37Å; L247-Y436 HydrophobicContact CB-CE2 3.97Å
248L98.8Very high97.6Very high1 Ų16.9 Ų6.91%0.0054%0.042CC..Hα-helixtrans-65.8-44.9179.1-18059.2000111.3G244 Q245 Q250 A251 L252 F280 L290 I316 M320 L393G244-L248 WeakPolarHBondContact O-CB 3.35Å; G244-L248 PolarHBondContact O-N 3.09Å; Q245-L248 PolarHBondContact O-N 2.95Å; L248-Q250 VanDerWaalsContact C-N 3.27Å; L248-Q250 PolarHBondContact O-N 3.34Å; L248-A251 WeakPolarHBondContact O-CB 2.95Å; L248-A251 PolarHBondContact O-N 3.21Å; L248-A251 VanDerWaalsContact O-N 3.13Å; L248-L252 HydrophobicContact CG-CD1 4.24Å; L248-L252 WeakPolarHBondContact O-CG 3.38Å; L248-L252 PolarHBondContact O-N 3.45Å; L248-F280 HydrophobicContact CB-CE1 4.33Å; L248-F280 HydrophobicContact CB-CZ 4.15Å; L248-F280 HydrophobicContact CD2-CE1 3.99Å; L248-F280 HydrophobicContact CD2-CZ 3.99Å; L248-F280 HydrophobicContact CG-CE1 4.29Å; L248-F280 HydrophobicContact CG-CZ 3.9Å; L248-L290 HydrophobicContact CD2-CD1 3.97Å; L248-L290 HydrophobicContact CD2-CD2 4.2Å; L248-L290 HydrophobicContact CD2-CG 4.5Å; L248-I316 HydrophobicContact CD1-CG2 4.05Å; L248-I316 HydrophobicContact CD2-CG2 4.12Å; L248-I316 HydrophobicContact CG-CG2 4.47Å; L248-M320 HydrophobicContact CD1-CG 4.06Å; L248-M320 HydrophobicContact CD1-SD 3.95Å; L248-M320 HydrophobicContact CD2-CG 4.09Å; L248-M320 HydrophobicContact CD2-SD 3.98Å; L248-M320 HydrophobicContact CG-SD 4.45Å; L248-L393 HydrophobicContact CD1-CD2 3.54Å
249A98.5Very high97.5Very high0 Ų09.6 Ų9.60%05%0.052CC..Hα-helixtrans-61.3-37.5177.400000111.6L143 F145 Q245 A251 L252 V253 F280L143-A249 HydrophobicContact CB-CB 4.46Å; L143-A249 HydrophobicContact CD1-CB 3.95Å; F145-A249 HydrophobicContact CD2-CB 4.49Å; F145-A249 HydrophobicContact CE2-CB 3.45Å; F145-A249 VanDerWaalsContact CE2-CB 3.45Å; F145-A249 HydrophobicContact CZ-CB 3.99Å; Q245-A249 WeakPolarHBondContact O-CB 3.37Å; Q245-A249 PolarHBondContact O-N 3.01Å; A249-A251 PolarHBondContact O-N 3.23Å; A249-L252 PolarHBondContact O-N 3.14Å; A249-V253 WeakPolarHBondContact O-CB 3.33Å; A249-V253 WeakPolarHBondContact O-CG2 3.33Å; A249-V253 PolarHBondContact O-N 3.46Å; A249-F280 HydrophobicContact CB-CD2 4.2Å; A249-F280 HydrophobicContact CB-CE2 3.58Å; A249-F280 HydrophobicContact CB-CZ 3.79Å
250Q98.7Very high97.4Very high8 Ų815 Ų154%0.0378%0.081CC..Hα-helixtrans-60.7-44.3173.8178.956.929.800111.6L107 M246 L247 L248 L252 V253 V254 V424 Y436L107-Q250 HydrophobicContact CD1-CG 4.19Å; L107-Q250 HydrophobicContact CD2-CG 4.41Å; M246-Q250 WeakPolarHBondContact O-CB 3.19Å; M246-Q250 PolarHBondContact O-N 3.43Å; L247-Q250 PolarHBondContact O-N 2.63Å; L248-Q250 VanDerWaalsContact C-N 3.27Å; L248-Q250 PolarHBondContact O-N 3.34Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 2.76Å; Q250-V253 PolarHBondContact O-N 2.99Å; Q250-V254 VanDerWaalsContact O-CG2 3.31Å; Q250-V254 WeakPolarHBondContact O-CG2 3.46Å; Q250-V254 PolarHBondContact O-N 2.69Å; Q250-V424 HydrophobicContact CG-CB 3.97Å; Q250-V424 HydrophobicContact CG-CG1 4.37Å; Q250-Y436 WeakPolarHBondContact CB-OH 3.27Å; Q250-Y436 WeakPolarHBondContact CG-OH 3.5Å
251A98.7Very high97.2Very high0 Ų016.5 Ų16.50%09%0.086CC..Hα-helixtrans-60.5-41.217500000112L247 L248 A249 V254 H255 L393 V424 Y491L247-A251 PolarHBondContact O-N 3.09Å; L248-A251 WeakPolarHBondContact O-CB 2.95Å; L248-A251 PolarHBondContact O-N 3.21Å; L248-A251 VanDerWaalsContact O-N 3.13Å; A249-A251 PolarHBondContact O-N 3.23Å; A251-V254 PolarHBondContact O-N 3.07Å; A251-H255 WeakPolarHBondContact O-CB 3.32Å; A251-H255 PolarHBondContact O-N 3.02Å; A251-L393 HydrophobicContact CB-CD1 3.87Å; A251-L393 HydrophobicContact CB-CD2 4.01Å; A251-L393 HydrophobicContact CB-CG 4.42Å; A251-V424 HydrophobicContact CB-CG2 4.37Å; A251-Y491 HydrophobicContact CB-CD2 4.27Å
252L98.1Very high96.8Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-69.9-37.8178.2-62.4173.1000112.7L248 A249 Q250 V254 H255 F256 I276 W279 F280 L290 M320 L330 V333L248-L252 HydrophobicContact CG-CD1 4.24Å; L248-L252 WeakPolarHBondContact O-CG 3.38Å; L248-L252 PolarHBondContact O-N 3.45Å; A249-L252 PolarHBondContact O-N 3.14Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 2.76Å; L252-V254 VanDerWaalsContact C-N 3.35Å; L252-H255 PolarHBondContact O-N 2.86Å; L252-F256 HydrophobicContact CB-CD2 4.33Å; L252-F256 HydrophobicContact CD2-CE2 4.02Å; L252-F256 VanDerWaalsContact O-CD2 3.3Å; L252-F256 WeakPolarHBondContact O-CD2 3.37Å; L252-F256 PolarHBondContact O-N 2.76Å; L252-I276 HydrophobicContact CB-CD1 4.46Å; L252-W279 HydrophobicContact CD1-CE3 4.03Å; L252-W279 HydrophobicContact CD1-CZ3 4.2Å; L252-F280 HydrophobicContact CD1-CE2 3.88Å; L252-F280 HydrophobicContact CD1-CZ 3.9Å; L252-L290 HydrophobicContact CD1-CD1 3.58Å; L252-M320 HydrophobicContact CD2-CE 4.41Å; L252-L330 HydrophobicContact CD1-CD2 4.34Å; L252-L330 HydrophobicContact CD2-CD2 4.27Å; L252-V333 HydrophobicContact CD2-CG2 4.26Å
253V97.1Very high96.3Very high3 Ų321.6 Ų21.62%0.01811%0.11CC..Hα-helixtrans-59.7-48171.8164.80000109.8L143 A249 Q250 H255 L257 G258 W261 I276L143-V253 HydrophobicContact CD1-CG2 3.83Å; L143-V253 HydrophobicContact CG-CG2 4.39Å; A249-V253 WeakPolarHBondContact O-CB 3.33Å; A249-V253 WeakPolarHBondContact O-CG2 3.33Å; A249-V253 PolarHBondContact O-N 3.46Å; Q250-V253 PolarHBondContact O-N 2.99Å; V253-H255 VanDerWaalsContact C-N 3.27Å; V253-H255 PolarHBondContact O-N 3Å; V253-L257 HydrophobicContact CG1-CD1 4.34Å; V253-L257 HydrophobicContact CG2-CD1 4.46Å; V253-L257 CarbonylContact O-C 3.12Å; V253-L257 WeakPolarHBondContact O-CA 3.39Å; V253-L257 VanDerWaalsContact O-CB 3.29Å; V253-L257 WeakPolarHBondContact O-CB 3.34Å; V253-L257 PolarHBondContact O-N 3.19Å; V253-G258 PolarHBondContact O-N 3.35Å; V253-G258 VanDerWaalsContact O-N 3.11Å; V253-W261 HydrophobicContact CG1-CE3 3.82Å; V253-W261 HydrophobicContact CG1-CZ3 4.34Å; V253-I276 HydrophobicContact CG2-CD1 3.94Å
254V97.3Very high95.3Very high12 Ų1224.6 Ų24.67%0.07313%0.128CC..Hα-helixtrans-61.3-39.5176.3176.10000111.1Q250 A251 L252 G258 R259 V424 Y491Q250-V254 VanDerWaalsContact O-CG2 3.31Å; Q250-V254 WeakPolarHBondContact O-CG2 3.46Å; Q250-V254 PolarHBondContact O-N 2.69Å; A251-V254 PolarHBondContact O-N 3.07Å; L252-V254 VanDerWaalsContact C-N 3.35Å; V254-G258 VanDerWaalsContact O-CA 3.24Å; V254-G258 WeakPolarHBondContact O-CA 3.41Å; V254-G258 PolarHBondContact O-N 3.38Å; V254-G258 VanDerWaalsContact O-N 3.17Å; V254-R259 HydrophobicContact CG1-CG 3.65Å; V254-R259 HydrophobicContact CG2-CG 4.18Å; V254-V424 HydrophobicContact CG2-CG1 4.44Å; V254-Y491 HydrophobicContact CB-CD1 4.13Å; V254-Y491 HydrophobicContact CB-CE1 4.35Å; V254-Y491 HydrophobicContact CG1-CD1 3.46Å; V254-Y491 VanDerWaalsContact CG1-CD1 3.46Å; V254-Y491 HydrophobicContact CG1-CE1 3.58Å; V254-Y491 HydrophobicContact CG1-CG 4.44Å
255H97.2Very high93.7Very high7 Ų731.7 Ų31.73%0.03216%0.159CC..Hα-helixtrans-66.9-50.1-179.7-175.785.8000113.4A251 L252 V253 Q332 V333 Y491 R493A251-H255 WeakPolarHBondContact O-CB 3.32Å; A251-H255 PolarHBondContact O-N 3.02Å; L252-H255 PolarHBondContact O-N 2.86Å; V253-H255 VanDerWaalsContact C-N 3.27Å; V253-H255 PolarHBondContact O-N 3Å; H255-Q332 PolarHBondContact NE2-OE1 3.43Å; H255-Q332 VanDerWaalsContact NE2-OE1 3.08Å; H255-V333 HydrophobicContact CB-CG2 4.27Å; H255-Y491 WeakPolarHBondContact CA-OH 3.27Å; H255-Y491 HydrophobicContact CB-CE2 3.82Å; H255-Y491 WeakPolarHBondContact CB-OH 3.23Å; H255-Y491 AromaticContact ND1-CE2 3.77Å; H255-Y491 AromaticContact ND1-CZ 3.62Å; H255-Y491 PolarHBondContact ND1-OH 3.43Å; H255-R493 PolarHBondContact ND1-NE 3.32Å; H255-R493 PolarHBondContact O-NH2 3.41Å
256F95.6Very high91.6Very high39 Ų3938.8 Ų38.817%0.17120%0.197CC..Hα-helixtrans-93.6-27.9-171.4-69.6-70.2000113.8L252 F272 I276 W279 R329L252-F256 HydrophobicContact CB-CD2 4.33Å; L252-F256 HydrophobicContact CD2-CE2 4.02Å; L252-F256 VanDerWaalsContact O-CD2 3.3Å; L252-F256 WeakPolarHBondContact O-CD2 3.37Å; L252-F256 PolarHBondContact O-N 2.76Å; F256-F272 HydrophobicContact CB-CD1 4.35Å; F256-F272 HydrophobicContact CD1-CD1 4.12Å; F256-F272 HydrophobicContact CD1-CE1 4.03Å; F256-F272 HydrophobicContact CE1-CE1 4.44Å; F256-F272 HydrophobicContact CG-CD1 4.32Å; F256-I276 HydrophobicContact CB-CD1 4.4Å; F256-W279 HydrophobicContact CD2-CH2 4.17Å; F256-W279 HydrophobicContact CD2-CZ3 4.04Å; F256-W279 AromaticContact CE2-CH2 3.54Å; F256-W279 HydrophobicContact CE2-CH2 3.54Å; F256-W279 AromaticContact CE2-CZ3 3.61Å; F256-W279 HydrophobicContact CE2-CZ3 3.61Å; F256-W279 AromaticContact CZ-CH2 3.81Å; F256-W279 HydrophobicContact CZ-CH2 3.81Å; F256-W279 HydrophobicContact CZ-CZ3 4.35Å; F256-R329 HydrophobicContact CE1-CB 4.4Å; F256-R329 HydrophobicContact CZ-CB 4.18Å
257L94.9Very high89.4Confident40 Ų4044 Ų4421%0.20922%0.222CC..Hα-helixtrans-115.9-17.7-174.5-50.5177.4000112.9V253 W261 F272 I276V253-L257 HydrophobicContact CG1-CD1 4.34Å; V253-L257 HydrophobicContact CG2-CD1 4.46Å; V253-L257 CarbonylContact O-C 3.12Å; V253-L257 WeakPolarHBondContact O-CA 3.39Å; V253-L257 VanDerWaalsContact O-CB 3.29Å; V253-L257 WeakPolarHBondContact O-CB 3.34Å; V253-L257 PolarHBondContact O-N 3.19Å; L257-W261 HydrophobicContact CB-CB 3.75Å; L257-W261 HydrophobicContact CB-CD2 4.25Å; L257-W261 HydrophobicContact CB-CG 3.63Å; L257-W261 HydrophobicContact CD1-CD2 3.74Å; L257-W261 HydrophobicContact CD1-CE3 4.22Å; L257-W261 HydrophobicContact CD1-CG 3.99Å; L257-W261 HydrophobicContact CD1-CZ2 4.18Å; L257-W261 HydrophobicContact CG-CG 4.4Å; L257-F272 HydrophobicContact CD2-CB 3.69Å; L257-I276 HydrophobicContact CD1-CD1 4.09Å; L257-I276 HydrophobicContact CG-CD1 4.3Å
258G94.7Very high87.1Confident30 Ų3052.8 Ų52.831%0.30926%0.255SS..  trans85.7164.6-178.700000114V253 V254 N260 W261V253-G258 PolarHBondContact O-N 3.35Å; V253-G258 VanDerWaalsContact O-N 3.11Å; V254-G258 VanDerWaalsContact O-CA 3.24Å; V254-G258 WeakPolarHBondContact O-CA 3.41Å; V254-G258 PolarHBondContact O-N 3.38Å; V254-G258 VanDerWaalsContact O-N 3.17Å; G258-N260 VanDerWaalsContact C-N 3.29Å; G258-N260 PolarHBondContact O-N 2.96Å; G258-W261 WeakPolarHBondContact O-CB 3.48Å; G258-W261 PolarHBondContact O-N 2.92Å
259R94.4Very high84.8Confident58 Ų5857.3 Ų57.322%0.21928%0.279CS..THydrogen-bonded Turntrans-66.8-27.6-178.1-65.8-167.7174.3-87.6-7.6113.9L107 V254 W261 R262 P421 A422 F423L107-R259 PolarHBondContact O-NH1 3.37Å; V254-R259 HydrophobicContact CG1-CG 3.65Å; V254-R259 HydrophobicContact CG2-CG 4.18Å; R259-W261 VanDerWaalsContact C-N 3.3Å; R259-W261 PolarHBondContact O-N 3.28Å; R259-R262 PolarHBondContact O-NH1 2.83Å; R259-R262 VanDerWaalsContact O-NH1 3.17Å; R259-P421 PolarHBondContact NE-O 3.41Å; R259-P421 PolarHBondContact NH1-O 3.47Å; R259-P421 PolarHBondContact NH2-O 3.38Å; R259-A422 PolarHBondContact NH2-O 3.12Å; R259-F423 PolarHBondContact NH1-O 2.78Å
260N93.1Very high83.1Confident112 Ų11258.6 Ų58.660%0.59929%0.288SS*.THydrogen-bonded Turntrans-85.3-2.5-178.1-63.3-17.1000113.2R109 G258 R262R109-N260 PolarHBondContact NH1-OD1 3.3Å; R109-N260 PolarHBondContact NH2-OD1 3.05Å; G258-N260 VanDerWaalsContact C-N 3.29Å; G258-N260 PolarHBondContact O-N 2.96Å; N260-R262 VanDerWaalsContact C-NH1 3.31Å; N260-R262 PolarHBondContact O-N 3.2Å; N260-R262 PolarHBondContact O-NH1 2.73Å
261W93.2Very high82.1Confident32 Ų3264.5 Ų64.512%0.12132%0.32CS..  trans-60.9136-179.7-18081.2000111.4S141 R142 V253 L257 G258 R259 L263S141-W261 WeakPolarHBondContact O-CZ3 3.32Å; R142-W261 PolarHBondContact NH2-O 3.42Å; V253-W261 HydrophobicContact CG1-CE3 3.82Å; V253-W261 HydrophobicContact CG1-CZ3 4.34Å; L257-W261 HydrophobicContact CB-CB 3.75Å; L257-W261 HydrophobicContact CB-CD2 4.25Å; L257-W261 HydrophobicContact CB-CG 3.63Å; L257-W261 HydrophobicContact CD1-CD2 3.74Å; L257-W261 HydrophobicContact CD1-CE3 4.22Å; L257-W261 HydrophobicContact CD1-CG 3.99Å; L257-W261 HydrophobicContact CD1-CZ2 4.18Å; L257-W261 HydrophobicContact CG-CG 4.4Å; G258-W261 WeakPolarHBondContact O-CB 3.48Å; G258-W261 PolarHBondContact O-N 2.92Å; R259-W261 VanDerWaalsContact C-N 3.3Å; R259-W261 PolarHBondContact O-N 3.28Å; W261-L263 HydrophobicContact CH2-CB 4.38Å; W261-L263 HydrophobicContact CH2-CD1 4.5Å
262R90.7Very high81.5Confident44 Ų4468.6 Ų68.617%0.16634%0.338CS..  trans-134.1142.8176.8-61.1-65.2177.9-886.9109.3Y111 D138 S141 R259 N260 T264Y111-R262 PolarHBondContact OH-NH2 2.94Å; D138-R262 IonicContact OD1-CZ 2.94Å; D138-R262 IonicContact OD1-NE 2.79Å; D138-R262 PolarHBondContact OD1-NE 2.86Å; D138-R262 IonicContact OD1-NH1 3.16Å; D138-R262 PolarHBondContact OD1-NH1 2.78Å; D138-R262 IonicContact OD1-NH2 3.56Å; D138-R262 PolarHBondContact OD1-NH2 3.03Å; D138-R262 VanDerWaalsContact OD1-NH2 3.16Å; D138-R262 IonicContact OD2-CZ 2.95Å; D138-R262 IonicContact OD2-NH2 3.41Å; D138-R262 PolarHBondContact OD2-NH2 3.22Å; S141-R262 WeakPolarHBondContact OG-CA 3.49Å; R259-R262 PolarHBondContact O-NH1 2.83Å; R259-R262 VanDerWaalsContact O-NH1 3.17Å; N260-R262 VanDerWaalsContact C-NH1 3.31Å; N260-R262 PolarHBondContact O-N 3.2Å; N260-R262 PolarHBondContact O-NH1 2.73Å; R262-T264 PolarHBondContact O-N 2.9Å
263L86.7Confident81Confident65 Ų6569.3 Ų69.334%0.3434%0.343SS..  trans-68.4115.6171.4-176.770.1000108.5S141 W261 H470S141-L263 PolarHBondContact OG-N 2.94Å; W261-L263 HydrophobicContact CH2-CB 4.38Å; W261-L263 HydrophobicContact CH2-CD1 4.5Å; L263-H470 HydrophobicContact CD2-CB 4.47Å
264T77.9Confident80.7Confident63 Ų6370.1 Ų70.139%0.38735%0.347SS..  trans-108.7146.8173.465.70000109.8R262 N266 Q267R262-T264 PolarHBondContact O-N 2.9Å; T264-N266 PolarHBondContact O-N 3.39Å; T264-Q267 PolarHBondContact O-N 3.34Å; T264-Q267 WeakPolarHBondContact OG1-CB 3.4Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.3Å; T264-Q267 PolarHBondContact OG1-N 3.38Å; T264-Q267 VanDerWaalsContact OG1-N 3.13Å
265K64.9Low80.5Confident149 Ų14971.3 Ų71.365%0.64835%0.352SS*.SBendtrans-59.7-30.2178.8-68.5-178.3179.1175.40112.5
266N55.6Low80.4Confident149 Ų14971 Ų7180%0.79735%0.35SS*.SBendtrans-90.4-23.4-176.3-67.3-5.7000113.3T264 R268T264-N266 PolarHBondContact O-N 3.39Å; N266-R268 PolarHBondContact O-N 2.84Å; N266-R268 VanDerWaalsContact O-N 3.15Å
267Q51.9Low80.4Confident112 Ų11269.2 Ų69.252%0.52334%0.343SS..  trans-90.658.5174.3-64-154.3-12.400112.4T264 D269T264-Q267 PolarHBondContact O-N 3.34Å; T264-Q267 WeakPolarHBondContact OG1-CB 3.4Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.3Å; T264-Q267 PolarHBondContact OG1-N 3.38Å; T264-Q267 VanDerWaalsContact OG1-N 3.13Å; Q267-D269 PolarHBondContact O-N 2.87Å; Q267-D269 VanDerWaalsContact O-N 3.17Å
268R50.6Low80.4Confident185 Ų18570 Ų7070%0.69834%0.344SS*.THydrogen-bonded Turntrans-66.73.3158-76.5-178167.8-174.7-4.9112.8N266N266-R268 PolarHBondContact O-N 2.84Å; N266-R268 VanDerWaalsContact O-N 3.15Å
269D51.6Low80.5Confident95 Ų9568.5 Ų68.551%0.50833%0.329SS..THydrogen-bonded Turntrans-124.78.5-166.2-60.8-45.5000115.3Q267 D271 K463Q267-D269 PolarHBondContact O-N 2.87Å; Q267-D269 VanDerWaalsContact O-N 3.17Å; D269-D271 PolarHBondContact O-N 3.37Å; D269-K463 IonicContact OD1-NZ 2.81Å; D269-K463 PolarHBondContact OD1-NZ 2.8Å
270S61.8Low80.7Confident27 Ų2765.8 Ų65.819%0.18932%0.319CS..  trans-74100.6166.274.50000108.4F272 S273S270-F272 PolarHBondContact O-N 3.41Å; S270-S273 PolarHBondContact O-N 3.44Å; S270-S273 PolarHBondContact O-OG 3.01Å; S270-S273 VanDerWaalsContact O-OG 3.05Å; S270-S273 WeakPolarHBondContact OG-CB 3.39Å; S270-S273 PolarHBondContact OG-OG 3.13Å
271D77.4Confident80.8Confident133 Ų13361.3 Ų61.371%0.71130%0.295SS*.Hα-helixtrans-47.5-31.3-177.4-72.2-31.4000113.4D269 Q275D269-D271 PolarHBondContact O-N 3.37Å; D271-Q275 VanDerWaalsContact O-CB 3.3Å; D271-Q275 WeakPolarHBondContact O-CB 3.42Å; D271-Q275 PolarHBondContact O-N 3.21Å
272F86.3Confident80.9Confident85 Ų8560.2 Ų60.237%0.37329%0.292SS..Hα-helixtrans-73.8-35.2-179.3-81.9-78.3000115.4F256 L257 S270 L274 Q275 I276F256-F272 HydrophobicContact CB-CD1 4.35Å; F256-F272 HydrophobicContact CD1-CD1 4.12Å; F256-F272 HydrophobicContact CD1-CE1 4.03Å; F256-F272 HydrophobicContact CE1-CE1 4.44Å; F256-F272 HydrophobicContact CG-CD1 4.32Å; L257-F272 HydrophobicContact CD2-CB 3.69Å; S270-F272 PolarHBondContact O-N 3.41Å; F272-L274 VanDerWaalsContact C-N 3.34Å; F272-Q275 WeakPolarHBondContact O-CB 3.17Å; F272-Q275 PolarHBondContact O-N 2.93Å; F272-I276 WeakPolarHBondContact O-CG1 3.3Å; F272-I276 PolarHBondContact O-N 3.37Å
273S88.4Confident81.1Confident16 Ų1659 Ų5911%0.11229%0.29CS..Hα-helixtrans-65.7-42.3178.964.70000110.8S270 I276 I277S270-S273 PolarHBondContact O-N 3.44Å; S270-S273 PolarHBondContact O-OG 3.01Å; S270-S273 VanDerWaalsContact O-OG 3.05Å; S270-S273 WeakPolarHBondContact OG-CB 3.39Å; S270-S273 PolarHBondContact OG-OG 3.13Å; S273-I276 PolarHBondContact O-N 2.99Å; S273-I277 PolarHBondContact O-N 3.5Å
274L90.4Very high81.4Confident19 Ų1959.3 Ų59.310%0.09929%0.286CS..Hα-helixtrans-64.5-40.6172.1-63.5179.1000111.5F272 I276 I277 K278 F464 V466F272-L274 VanDerWaalsContact C-N 3.34Å; L274-I276 VanDerWaalsContact C-N 3.35Å; L274-I276 PolarHBondContact O-N 3.37Å; L274-I277 PolarHBondContact O-N 3.17Å; L274-K278 WeakPolarHBondContact O-CG 3.38Å; L274-K278 PolarHBondContact O-N 2.88Å; L274-F464 HydrophobicContact CB-CZ 4.4Å; L274-F464 HydrophobicContact CD2-CE1 4.33Å; L274-F464 HydrophobicContact CD2-CE2 4.19Å; L274-F464 HydrophobicContact CD2-CZ 3.93Å; L274-V466 HydrophobicContact CD2-CG1 3.42Å; L274-V466 VanDerWaalsContact CD2-CG1 3.42Å
275Q92.9Very high82.1Confident37 Ų3757.5 Ų57.517%0.17328%0.277CS..Hα-helixtrans-60.8-42.3176.8-177.562.578.200112.5D271 F272 I277 K278 W279D271-Q275 VanDerWaalsContact O-CB 3.3Å; D271-Q275 WeakPolarHBondContact O-CB 3.42Å; D271-Q275 PolarHBondContact O-N 3.21Å; F272-Q275 WeakPolarHBondContact O-CB 3.17Å; F272-Q275 PolarHBondContact O-N 2.93Å; Q275-I277 VanDerWaalsContact C-N 3.33Å; Q275-I277 PolarHBondContact O-N 3.19Å; Q275-K278 PolarHBondContact O-N 3.49Å; Q275-W279 HydrophobicContact CG-CD2 4.47Å; Q275-W279 HydrophobicContact CG-CZ2 3.95Å; Q275-W279 PolarHBondContact O-N 3.38Å
276I95.6Very high83.5Confident0 Ų052.7 Ų52.70%026%0.261CS..Hα-helixtrans-58.7-48.6175.6-68.2167.7000109L143 L252 V253 F256 L257 F272 S273 L274 K278 W279 F280L143-I276 HydrophobicContact CD1-CG2 3.65Å; L252-I276 HydrophobicContact CB-CD1 4.46Å; V253-I276 HydrophobicContact CG2-CD1 3.94Å; F256-I276 HydrophobicContact CB-CD1 4.4Å; L257-I276 HydrophobicContact CD1-CD1 4.09Å; L257-I276 HydrophobicContact CG-CD1 4.3Å; F272-I276 WeakPolarHBondContact O-CG1 3.3Å; F272-I276 PolarHBondContact O-N 3.37Å; S273-I276 PolarHBondContact O-N 2.99Å; L274-I276 VanDerWaalsContact C-N 3.35Å; L274-I276 PolarHBondContact O-N 3.37Å; I276-K278 VanDerWaalsContact C-N 3.34Å; I276-K278 PolarHBondContact O-N 2.91Å; I276-W279 HydrophobicContact CB-CE3 4.48Å; I276-W279 HydrophobicContact CG1-CE3 4.2Å; I276-W279 HydrophobicContact CG1-CZ3 3.99Å; I276-W279 WeakPolarHBondContact O-CB 3.21Å; I276-W279 PolarHBondContact O-N 3.34Å; I276-W279 VanDerWaalsContact O-N 3.17Å; I276-F280 HydrophobicContact CG2-CD2 4.3Å; I276-F280 HydrophobicContact CG2-CE2 4.05Å; I276-F280 WeakPolarHBondContact O-CD2 3.42Å
277I95Very high85.3Confident3 Ų350.1 Ų50.12%0.01524%0.243CC..Hα-helixtrans-59.3-44177.6-65169.4000111.5L143 S273 L274 Q275 W279 F280 N281 L459 F464 V466 W469L143-I277 HydrophobicContact CD1-CG1 4.47Å; L143-I277 HydrophobicContact CD2-CD1 3.94Å; L143-I277 HydrophobicContact CD2-CG1 3.78Å; S273-I277 PolarHBondContact O-N 3.5Å; L274-I277 PolarHBondContact O-N 3.17Å; Q275-I277 VanDerWaalsContact C-N 3.33Å; Q275-I277 PolarHBondContact O-N 3.19Å; I277-W279 VanDerWaalsContact C-N 3.25Å; I277-W279 PolarHBondContact O-N 3.36Å; I277-F280 PolarHBondContact O-N 3.03Å; I277-N281 PolarHBondContact O-N 2.84Å; I277-L459 HydrophobicContact CG2-CD1 4.22Å; I277-F464 HydrophobicContact CB-CE2 4.41Å; I277-F464 HydrophobicContact CB-CZ 4.25Å; I277-F464 HydrophobicContact CG2-CE2 3.81Å; I277-F464 HydrophobicContact CG2-CZ 3.97Å; I277-V466 HydrophobicContact CD1-CB 4.1Å; I277-V466 HydrophobicContact CD1-CG1 3.69Å; I277-W469 HydrophobicContact CD1-CB 4.42Å; I277-W469 HydrophobicContact CG2-CD2 3.79Å; I277-W469 HydrophobicContact CG2-CE3 4.25Å; I277-W469 HydrophobicContact CG2-CG 4.2Å; I277-W469 HydrophobicContact CG2-CH2 4.27Å; I277-W469 HydrophobicContact CG2-CZ2 3.83Å; I277-W469 HydrophobicContact CG2-CZ3 4.48Å
278K94.6Very high87.4Confident55 Ų5545 Ų4524%0.23922%0.219CC..Hα-helixtrans-57.9-37177.8-74.1179.5-176.5-175.40112.5L274 Q275 I276 F280 N281 F287 S288 L459 F464L274-K278 WeakPolarHBondContact O-CG 3.38Å; L274-K278 PolarHBondContact O-N 2.88Å; Q275-K278 PolarHBondContact O-N 3.49Å; I276-K278 VanDerWaalsContact C-N 3.34Å; I276-K278 PolarHBondContact O-N 2.91Å; K278-F280 PolarHBondContact O-N 3.33Å; K278-N281 WeakPolarHBondContact O-CB 3.43Å; K278-N281 PolarHBondContact O-N 3.5Å; K278-F287 CarbonylContact C-O 3.55Å; K278-S288 WeakPolarHBondContact O-CA 3.14Å; K278-S288 PolarHBondContact O-OG 3.03Å; K278-S288 VanDerWaalsContact O-OG 3.05Å; K278-L459 HydrophobicContact CG-CD1 4.14Å; K278-F464 HydrophobicContact CD-CE1 4.42Å; K278-F464 HydrophobicContact CG-CE1 3.96Å; K278-F464 HydrophobicContact CG-CZ 4.18Å
279W97.4Very high89.6Confident0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-60.9-32.2176.6-70.5-27.7000113.2L252 F256 Q275 I276 I277 S288 P289 L290 S291 D327 R329 L330L252-W279 HydrophobicContact CD1-CE3 4.03Å; L252-W279 HydrophobicContact CD1-CZ3 4.2Å; F256-W279 HydrophobicContact CD2-CH2 4.17Å; F256-W279 HydrophobicContact CD2-CZ3 4.04Å; F256-W279 AromaticContact CE2-CH2 3.54Å; F256-W279 HydrophobicContact CE2-CH2 3.54Å; F256-W279 AromaticContact CE2-CZ3 3.61Å; F256-W279 HydrophobicContact CE2-CZ3 3.61Å; F256-W279 AromaticContact CZ-CH2 3.81Å; F256-W279 HydrophobicContact CZ-CH2 3.81Å; F256-W279 HydrophobicContact CZ-CZ3 4.35Å; Q275-W279 HydrophobicContact CG-CD2 4.47Å; Q275-W279 HydrophobicContact CG-CZ2 3.95Å; Q275-W279 PolarHBondContact O-N 3.38Å; I276-W279 HydrophobicContact CB-CE3 4.48Å; I276-W279 HydrophobicContact CG1-CE3 4.2Å; I276-W279 HydrophobicContact CG1-CZ3 3.99Å; I276-W279 WeakPolarHBondContact O-CB 3.21Å; I276-W279 PolarHBondContact O-N 3.34Å; I276-W279 VanDerWaalsContact O-N 3.17Å; I277-W279 VanDerWaalsContact C-N 3.25Å; I277-W279 PolarHBondContact O-N 3.36Å; W279-S288 CarbonylContact O-C 3.57Å; W279-S288 WeakPolarHBondContact O-CA 3.31Å; W279-P289 HydrophobicContact CB-CG 4.23Å; W279-P289 HydrophobicContact CG-CG 4.01Å; W279-L290 HydrophobicContact CB-CB 4.44Å; W279-L290 HydrophobicContact CB-CD1 4.1Å; W279-L290 HydrophobicContact CB-CG 4.23Å; W279-L290 CarbonylContact O-C 3.6Å; W279-L290 WeakPolarHBondContact O-CA 3.38Å; W279-L290 WeakPolarHBondContact O-CB 3.27Å; W279-L290 PolarHBondContact O-N 3.43Å; W279-S291 PolarHBondContact O-N 2.96Å; W279-D327 PolarHBondContact NE1-OD2 3.03Å; W279-R329 HydrophobicContact CH2-CB 4.25Å; W279-R329 HydrophobicContact CZ2-CB 4.07Å; W279-L330 HydrophobicContact CD2-CD2 4.01Å; W279-L330 HydrophobicContact CE3-CD2 3.78Å; W279-L330 HydrophobicContact CH2-CD2 3.89Å; W279-L330 HydrophobicContact CZ2-CD2 4.09Å; W279-L330 HydrophobicContact CZ2-CG 4.31Å; W279-L330 HydrophobicContact CZ3-CD2 3.73Å
280F97.7Very high91.8Very high1 Ų131.7 Ų31.70%0.00416%0.162CC..THydrogen-bonded Turntrans-96.71.4-178.9-68.3-81.1000114.3F145 Q245 L248 A249 L252 I276 I277 K278 D282 L290F145-F280 HydrophobicContact CD1-CB 4.24Å; F145-F280 HydrophobicContact CE1-CB 3.38Å; F145-F280 HydrophobicContact CE1-CD2 4.31Å; F145-F280 AromaticContact CE1-CG 3.88Å; F145-F280 HydrophobicContact CE1-CG 3.88Å; F145-F280 HydrophobicContact CZ-CB 3.75Å; F145-F280 HydrophobicContact CZ-CD1 4.44Å; F145-F280 AromaticContact CZ-CD2 3.78Å; F145-F280 HydrophobicContact CZ-CD2 3.78Å; F145-F280 AromaticContact CZ-CG 3.75Å; F145-F280 HydrophobicContact CZ-CG 3.75Å; Q245-F280 HydrophobicContact CB-CD1 3.92Å; Q245-F280 HydrophobicContact CB-CE1 4.13Å; Q245-F280 HydrophobicContact CG-CD1 3.79Å; Q245-F280 HydrophobicContact CG-CE1 4.21Å; Q245-F280 PolarHBondContact NE2-O 3.24Å; L248-F280 HydrophobicContact CB-CE1 4.33Å; L248-F280 HydrophobicContact CB-CZ 4.15Å; L248-F280 HydrophobicContact CD2-CE1 3.99Å; L248-F280 HydrophobicContact CD2-CZ 3.99Å; L248-F280 HydrophobicContact CG-CE1 4.29Å; L248-F280 HydrophobicContact CG-CZ 3.9Å; A249-F280 HydrophobicContact CB-CD2 4.2Å; A249-F280 HydrophobicContact CB-CE2 3.58Å; A249-F280 HydrophobicContact CB-CZ 3.79Å; L252-F280 HydrophobicContact CD1-CE2 3.88Å; L252-F280 HydrophobicContact CD1-CZ 3.9Å; I276-F280 HydrophobicContact CG2-CD2 4.3Å; I276-F280 HydrophobicContact CG2-CE2 4.05Å; I276-F280 WeakPolarHBondContact O-CD2 3.42Å; I277-F280 PolarHBondContact O-N 3.03Å; K278-F280 PolarHBondContact O-N 3.33Å; F280-D282 PolarHBondContact O-N 3.48Å; F280-L290 HydrophobicContact CD1-CB 3.66Å; F280-L290 VanDerWaalsContact CD1-O 3.22Å; F280-L290 WeakPolarHBondContact CD1-O 3.27Å; F280-L290 HydrophobicContact CE1-CB 3.57Å; F280-L290 HydrophobicContact CE1-CD1 4Å; F280-L290 HydrophobicContact CE1-CG 4.44Å; F280-L290 HydrophobicContact CE2-CD1 3.94Å; F280-L290 HydrophobicContact CG-CB 4.21Å; F280-L290 HydrophobicContact CZ-CB 4.03Å; F280-L290 HydrophobicContact CZ-CD1 3.57Å; F280-L290 HydrophobicContact CZ-CG 4.46Å
281N95.8Very high93.5Very high18 Ų1830.4 Ų30.410%0.09615%0.153CC..  trans-56.9138.9-178.4-174.841.9000111.7I277 K278 S283 S288 S291 Q457 L459I277-N281 PolarHBondContact O-N 2.84Å; K278-N281 WeakPolarHBondContact O-CB 3.43Å; K278-N281 PolarHBondContact O-N 3.5Å; N281-S283 PolarHBondContact O-N 3.23Å; N281-S288 WeakPolarHBondContact CB-OG 3.29Å; N281-S288 WeakPolarHBondContact O-CB 3.47Å; N281-S291 WeakPolarHBondContact O-CB 3.14Å; N281-Q457 PolarHBondContact OD1-O 3.03Å; N281-L459 HydrophobicContact CB-CD1 3.56Å; N281-L459 HydrophobicContact CB-CG 4.25Å
282D96.1Very high94.5Very high9 Ų924.1 Ų24.15%0.04812%0.119CC..SBendtrans-77.471.2-172.7-67.1-36.5000111.6R148 F151 P152 R242 F280 L292 H293 T456R148-D282 WeakPolarHBondContact CB-OD2 3.37Å; R148-D282 WeakPolarHBondContact CG-OD2 3.48Å; F151-D282 HydrophobicContact CB-CB 3.97Å; F151-D282 WeakPolarHBondContact CB-O 3.35Å; F151-D282 HydrophobicContact CD1-CB 4.22Å; F151-D282 HydrophobicContact CG-CB 4.35Å; P152-D282 WeakPolarHBondContact CD-O 3.39Å; R242-D282 IonicContact CZ-OD1 3.49Å; R242-D282 IonicContact CZ-OD2 3.5Å; R242-D282 VanDerWaalsContact CZ-OD2 3.3Å; R242-D282 VanDerWaalsContact NH1-CG 3.28Å; R242-D282 IonicContact NH1-OD1 2.75Å; R242-D282 PolarHBondContact NH1-OD1 3.47Å; R242-D282 IonicContact NH1-OD2 3.64Å; R242-D282 PolarHBondContact NH1-OD2 2.97Å; R242-D282 IonicContact NH2-OD1 2.91Å; R242-D282 PolarHBondContact NH2-OD1 3.39Å; R242-D282 IonicContact NH2-OD2 3.57Å; R242-D282 PolarHBondContact NH2-OD2 3.34Å; F280-D282 PolarHBondContact O-N 3.48Å; D282-L292 VanDerWaalsContact OD1-CB 3.29Å; D282-L292 WeakPolarHBondContact OD1-CB 3.49Å; D282-H293 PolarHBondContact O-CE1 3.48Å; D282-H293 VanDerWaalsContact O-CE1 3.3Å; D282-T456 HydrophobicContact CB-CG2 4.29Å
283S94Very high95Very high18 Ų1820.1 Ų20.113%0.12610%0.102CC..SBendtrans-151.3168.2178.676.30000111.9N281 S285 S288 S291 H293N281-S283 PolarHBondContact O-N 3.23Å; S283-S285 VanDerWaalsContact C-N 3.27Å; S283-S285 WeakPolarHBondContact OG-CB 3.24Å; S283-S285 PolarHBondContact OG-N 2.56Å; S283-S288 PolarHBondContact OG-OG 3.46Å; S283-S291 WeakPolarHBondContact O-CB 3.42Å; S283-S291 PolarHBondContact O-OG 3.3Å; S283-H293 PolarHBondContact N-ND1 3.44Å
284W93.5Very high95.3Very high71 Ų7120.7 Ų20.727%0.26910%0.101SC..  trans-81.6-3.1170.5-72.4114.4000114.1P153 L155 H293 R294 Q297P153-W284 PolarHBondContact O-NE1 2.69Å; P153-W284 VanDerWaalsContact O-NE1 3.12Å; L155-W284 HydrophobicContact CB-CH2 4.41Å; L155-W284 HydrophobicContact CB-CZ2 3.78Å; L155-W284 HydrophobicContact CD1-CH2 4.44Å; L155-W284 HydrophobicContact CD1-CZ2 3.89Å; L155-W284 HydrophobicContact CG-CZ2 3.68Å; W284-H293 AromaticContact CD1-CD2 3.79Å; W284-H293 HydrophobicContact CD2-CB 3.74Å; W284-H293 AromaticContact CE2-CD2 3.61Å; W284-H293 AromaticContact CE2-CG 3.97Å; W284-H293 HydrophobicContact CE3-CB 3.83Å; W284-H293 HydrophobicContact CG-CB 4.48Å; W284-H293 HydrophobicContact CH2-CB 3.7Å; W284-H293 WeakPolarHBondContact CH2-O 3.42Å; W284-H293 HydrophobicContact CZ2-CB 3.6Å; W284-H293 HydrophobicContact CZ3-CB 3.82Å; W284-H293 AromaticContact NE1-CD2 3.35Å; W284-H293 PolarHBondContact NE1-CD2 3.31Å; W284-H293 VanDerWaalsContact NE1-CD2 3.35Å; W284-R294 HydrophobicContact CE3-CG 4.13Å; W284-R294 HydrophobicContact CZ3-CG 3.82Å; W284-R294 PolarHBondContact O-NH2 2.86Å; W284-Q297 HydrophobicContact CH2-CB 4.18Å
285S93.1Very high95.6Very high26 Ų2619.8 Ų19.818%0.18210%0.096CC..  trans-47.2138.8-175.91780000112.3S283 F287 S288 R294S283-S285 VanDerWaalsContact C-N 3.27Å; S283-S285 WeakPolarHBondContact OG-CB 3.24Å; S283-S285 PolarHBondContact OG-N 2.56Å; S285-F287 PolarHBondContact O-N 3.05Å; S285-F287 VanDerWaalsContact O-N 3.14Å; S285-F287 WeakPolarHBondContact OG-CD2 3.21Å; S285-F287 PolarHBondContact OG-N 3.16Å; S285-S288 PolarHBondContact O-N 2.67Å; S285-R294 PolarHBondContact O-NH2 3.3Å
286P93.4Very high95.8Very high48 Ų4818.1 Ų18.131%0.3129%0.089SC..THydrogen-bonded Turntrans-56.8-26.9173.224.2-33.6000112.6S288P286-S288 PolarHBondContact O-N 3.41Å
287F93.8Very high95.7Very high95 Ų9521.3 Ų21.342%0.41710%0.104SC..THydrogen-bonded Turntrans-77.7-4.4176.3-54.7-67.2000114.3I183 K278 S285 P289I183-F287 HydrophobicContact CG2-CE2 4.24Å; K278-F287 CarbonylContact C-O 3.55Å; S285-F287 PolarHBondContact O-N 3.05Å; S285-F287 VanDerWaalsContact O-N 3.14Å; S285-F287 WeakPolarHBondContact OG-CD2 3.21Å; S285-F287 PolarHBondContact OG-N 3.16Å; F287-P289 WeakPolarHBondContact O-CD 3.22Å
288S96.2Very high95.6Very high4 Ų423 Ų233%0.02811%0.112CC..  trans-116.159.8179.6-540000111.9K278 W279 N281 S283 S285 P286 L290 S291 R294K278-S288 WeakPolarHBondContact O-CA 3.14Å; K278-S288 PolarHBondContact O-OG 3.03Å; K278-S288 VanDerWaalsContact O-OG 3.05Å; W279-S288 CarbonylContact O-C 3.57Å; W279-S288 WeakPolarHBondContact O-CA 3.31Å; N281-S288 WeakPolarHBondContact CB-OG 3.29Å; N281-S288 WeakPolarHBondContact O-CB 3.47Å; S283-S288 PolarHBondContact OG-OG 3.46Å; S285-S288 PolarHBondContact O-N 2.67Å; P286-S288 PolarHBondContact O-N 3.41Å; S288-L290 PolarHBondContact O-N 2.86Å; S288-L290 VanDerWaalsContact O-N 3.16Å; S288-S291 WeakPolarHBondContact O-CB 3.31Å; S288-S291 PolarHBondContact O-N 2.87Å; S288-S291 PolarHBondContact O-OG 2.92Å; S288-R294 PolarHBondContact O-NE 2.96Å
289P97.1Very high95.6Very high1 Ų120.9 Ų20.91%0.00610%0.104CC..THydrogen-bonded Turntrans-62.6-20.5-174.624.8-35.9000116.9W279 F287 R294 V319 D327 L330W279-P289 HydrophobicContact CB-CG 4.23Å; W279-P289 HydrophobicContact CG-CG 4.01Å; F287-P289 WeakPolarHBondContact O-CD 3.22Å; P289-R294 WeakPolarHBondContact O-CD 3.41Å; P289-V319 VanDerWaalsContact O-CG2 3.23Å; P289-V319 WeakPolarHBondContact O-CG2 3.33Å; P289-D327 HydrophobicContact CG-CB 4.47Å; P289-L330 HydrophobicContact CB-CD1 3.95Å; P289-L330 HydrophobicContact CG-CD1 3.64Å
290L98.3Very high95.1Very high0 Ų025.8 Ų25.80%013%0.13CC..THydrogen-bonded Turntrans-115.322-175.3-49.8178.2000111.4Q245 L248 L252 W279 F280 S288 V319 M320 L330Q245-L290 PolarHBondContact NE2-O 2.97Å; L248-L290 HydrophobicContact CD2-CD1 3.97Å; L248-L290 HydrophobicContact CD2-CD2 4.2Å; L248-L290 HydrophobicContact CD2-CG 4.5Å; L252-L290 HydrophobicContact CD1-CD1 3.58Å; W279-L290 HydrophobicContact CB-CB 4.44Å; W279-L290 HydrophobicContact CB-CD1 4.1Å; W279-L290 HydrophobicContact CB-CG 4.23Å; W279-L290 CarbonylContact O-C 3.6Å; W279-L290 WeakPolarHBondContact O-CA 3.38Å; W279-L290 WeakPolarHBondContact O-CB 3.27Å; W279-L290 PolarHBondContact O-N 3.43Å; F280-L290 HydrophobicContact CD1-CB 3.66Å; F280-L290 VanDerWaalsContact CD1-O 3.22Å; F280-L290 WeakPolarHBondContact CD1-O 3.27Å; F280-L290 HydrophobicContact CE1-CB 3.57Å; F280-L290 HydrophobicContact CE1-CD1 4Å; F280-L290 HydrophobicContact CE1-CG 4.44Å; F280-L290 HydrophobicContact CE2-CD1 3.94Å; F280-L290 HydrophobicContact CG-CB 4.21Å; F280-L290 HydrophobicContact CZ-CB 4.03Å; F280-L290 HydrophobicContact CZ-CD1 3.57Å; F280-L290 HydrophobicContact CZ-CG 4.46Å; S288-L290 PolarHBondContact O-N 2.86Å; S288-L290 VanDerWaalsContact O-N 3.16Å; L290-V319 HydrophobicContact CD2-CG1 3.93Å; L290-V319 HydrophobicContact CD2-CG2 4.35Å; L290-M320 HydrophobicContact CD1-SD 4.14Å; L290-M320 HydrophobicContact CD2-CG 4.47Å; L290-M320 HydrophobicContact CD2-SD 3.74Å; L290-L330 HydrophobicContact CD1-CD1 4.36Å; L290-L330 HydrophobicContact CD1-CD2 4.02Å; L290-L330 HydrophobicContact CD2-CD1 4.11Å; L290-L330 HydrophobicContact CG-CD1 4.22Å
291S97.7Very high94.7Very high0 Ų030.4 Ų30.40%015%0.148CC..  trans-60.8158.6179.2680000112.7W279 N281 S283 S288 H293 R294 L295W279-S291 PolarHBondContact O-N 2.96Å; N281-S291 WeakPolarHBondContact O-CB 3.14Å; S283-S291 WeakPolarHBondContact O-CB 3.42Å; S283-S291 PolarHBondContact O-OG 3.3Å; S288-S291 WeakPolarHBondContact O-CB 3.31Å; S288-S291 PolarHBondContact O-N 2.87Å; S288-S291 PolarHBondContact O-OG 2.92Å; S291-H293 PolarHBondContact O-N 3.19Å; S291-R294 PolarHBondContact O-N 3.01Å; S291-R294 PolarHBondContact OG-N 2.87Å; S291-L295 PolarHBondContact O-N 2.74Å
292L97.3Very high94.4Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-52.1-42.4171.5175.369.3000111F151 D234 F241 D282 R294 L295 V296F151-L292 HydrophobicContact CE1-CD2 3.77Å; F151-L292 HydrophobicContact CZ-CD2 3.7Å; D234-L292 HydrophobicContact CB-CD2 3.59Å; F241-L292 HydrophobicContact CB-CD1 3.48Å; F241-L292 VanDerWaalsContact CB-CD1 3.48Å; F241-L292 HydrophobicContact CD1-CD1 4.43Å; F241-L292 HydrophobicContact CD2-CD1 4.43Å; F241-L292 HydrophobicContact CG-CD1 3.9Å; D282-L292 VanDerWaalsContact OD1-CB 3.29Å; D282-L292 WeakPolarHBondContact OD1-CB 3.49Å; L292-R294 VanDerWaalsContact C-N 3.33Å; L292-R294 PolarHBondContact O-N 3.46Å; L292-L295 PolarHBondContact O-N 3.41Å; L292-V296 HydrophobicContact CD1-CG2 3.97Å; L292-V296 HydrophobicContact CG-CG2 4.17Å; L292-V296 VanDerWaalsContact O-CG2 3.27Å; L292-V296 WeakPolarHBondContact O-CG2 3.22Å; L292-V296 PolarHBondContact O-N 2.83Å
293H96Very high94.1Very high1 Ų133.9 Ų33.91%0.00516%0.164CC..Hα-helixtrans-53.7-48.3180-6168.2000112.9F151 P152 L154 D282 S283 W284 S291 V296 Q297F151-H293 AromaticContact CD2-CE1 3.79Å; F151-H293 AromaticContact CD2-NE2 3.7Å; F151-H293 AromaticContact CG-CE1 3.98Å; P152-H293 PolarHBondContact O-NE2 3.01Å; L154-H293 HydrophobicContact CD2-CB 4.04Å; D282-H293 PolarHBondContact O-CE1 3.48Å; D282-H293 VanDerWaalsContact O-CE1 3.3Å; S283-H293 PolarHBondContact N-ND1 3.44Å; W284-H293 AromaticContact CD1-CD2 3.79Å; W284-H293 HydrophobicContact CD2-CB 3.74Å; W284-H293 AromaticContact CE2-CD2 3.61Å; W284-H293 AromaticContact CE2-CG 3.97Å; W284-H293 HydrophobicContact CE3-CB 3.83Å; W284-H293 HydrophobicContact CG-CB 4.48Å; W284-H293 HydrophobicContact CH2-CB 3.7Å; W284-H293 WeakPolarHBondContact CH2-O 3.42Å; W284-H293 HydrophobicContact CZ2-CB 3.6Å; W284-H293 HydrophobicContact CZ3-CB 3.82Å; W284-H293 AromaticContact NE1-CD2 3.35Å; W284-H293 PolarHBondContact NE1-CD2 3.31Å; W284-H293 VanDerWaalsContact NE1-CD2 3.35Å; S291-H293 PolarHBondContact O-N 3.19Å; H293-V296 PolarHBondContact O-N 3.04Å; H293-Q297 WeakPolarHBondContact O-CB 3.15Å; H293-Q297 PolarHBondContact O-N 3.14Å
294R95.9Very high93.9Very high28 Ų2834.9 Ų34.911%0.10618%0.177CC..Hα-helixtrans-74.1-37.7-179.4-65.7175.2-177.3-154.74.6111.7W284 S285 S288 P289 S291 L292 V296 Q297 M298 V319W284-R294 HydrophobicContact CE3-CG 4.13Å; W284-R294 HydrophobicContact CZ3-CG 3.82Å; W284-R294 PolarHBondContact O-NH2 2.86Å; S285-R294 PolarHBondContact O-NH2 3.3Å; S288-R294 PolarHBondContact O-NE 2.96Å; P289-R294 WeakPolarHBondContact O-CD 3.41Å; S291-R294 PolarHBondContact O-N 3.01Å; S291-R294 PolarHBondContact OG-N 2.87Å; L292-R294 VanDerWaalsContact C-N 3.33Å; L292-R294 PolarHBondContact O-N 3.46Å; R294-V296 VanDerWaalsContact C-N 3.34Å; R294-V296 PolarHBondContact O-N 3.23Å; R294-Q297 PolarHBondContact O-N 2.87Å; R294-M298 VanDerWaalsContact O-CB 3.32Å; R294-M298 WeakPolarHBondContact O-CB 3.11Å; R294-M298 WeakPolarHBondContact O-CG 3.08Å; R294-M298 PolarHBondContact O-N 3.13Å; R294-V319 HydrophobicContact CB-CG2 3.71Å
295L97.3Very high93.8Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-60.7-43.7173.5-79.5167.2000111.9F241 Q245 S291 L292 M298 S299 I312 A315 I316 V319F241-L295 HydrophobicContact CD1-CB 3.92Å; F241-L295 HydrophobicContact CE1-CB 4.35Å; Q245-L295 HydrophobicContact CG-CD1 3.43Å; Q245-L295 VanDerWaalsContact CG-CD1 3.43Å; S291-L295 PolarHBondContact O-N 2.74Å; L292-L295 PolarHBondContact O-N 3.41Å; L295-M298 PolarHBondContact O-N 2.78Å; L295-S299 VanDerWaalsContact O-CB 3.3Å; L295-S299 WeakPolarHBondContact O-CB 3.47Å; L295-S299 PolarHBondContact O-N 3.31Å; L295-I312 HydrophobicContact CD2-CD1 4.12Å; L295-A315 HydrophobicContact CD2-CB 4.27Å; L295-I316 HydrophobicContact CD2-CG1 4.13Å; L295-V319 HydrophobicContact CD2-CB 4.26Å; L295-V319 HydrophobicContact CD2-CG1 3.64Å; L295-V319 HydrophobicContact CG-CG1 4.3Å
296V95.6Very high93.6Very high2 Ų238.2 Ų38.21%0.01219%0.189CC..Hα-helixtrans-61.8-48.9175.8172.90000109.9L154 W237 F241 L292 H293 R294 M298 S299 P303L154-V296 HydrophobicContact CD2-CB 4.49Å; L154-V296 HydrophobicContact CD2-CG2 4.44Å; W237-V296 HydrophobicContact CH2-CG2 3.93Å; W237-V296 HydrophobicContact CZ3-CG2 4.02Å; F241-V296 HydrophobicContact CD1-CG2 4.18Å; F241-V296 HydrophobicContact CD2-CG2 4.34Å; F241-V296 HydrophobicContact CE1-CB 4.4Å; F241-V296 HydrophobicContact CE1-CG2 3.88Å; F241-V296 HydrophobicContact CE2-CG2 4.05Å; F241-V296 HydrophobicContact CG-CG2 4.39Å; F241-V296 HydrophobicContact CZ-CB 4.38Å; F241-V296 HydrophobicContact CZ-CG2 3.81Å; L292-V296 HydrophobicContact CD1-CG2 3.97Å; L292-V296 HydrophobicContact CG-CG2 4.17Å; L292-V296 VanDerWaalsContact O-CG2 3.27Å; L292-V296 WeakPolarHBondContact O-CG2 3.22Å; L292-V296 PolarHBondContact O-N 2.83Å; H293-V296 PolarHBondContact O-N 3.04Å; R294-V296 VanDerWaalsContact C-N 3.34Å; R294-V296 PolarHBondContact O-N 3.23Å; V296-M298 VanDerWaalsContact C-N 3.31Å; V296-M298 PolarHBondContact O-N 3.36Å; V296-S299 PolarHBondContact O-N 3.16Å; V296-S299 PolarHBondContact O-OG 3.46Å; V296-P303 HydrophobicContact CG1-CG 4.12Å
297Q93.5Very high93.6Very high68 Ų6835.9 Ų35.932%0.31817%0.174SC..Hα-helixtrans-56.5-42.9177.1-170.2-17515.800112.9N157 W284 H293 R294 S299N157-Q297 PolarHBondContact ND2-O 3.32Å; N157-Q297 WeakPolarHBondContact OD1-CG 3.46Å; W284-Q297 HydrophobicContact CH2-CB 4.18Å; H293-Q297 WeakPolarHBondContact O-CB 3.15Å; H293-Q297 PolarHBondContact O-N 3.14Å; R294-Q297 PolarHBondContact O-N 2.87Å; Q297-S299 VanDerWaalsContact C-N 3.34Å
298M94.1Very high93.7Very high38 Ų3831.7 Ų31.719%0.18716%0.157CC..Hα-helixtrans-79.1-16.2-177.4-67-63.9158.500113.6R294 L295 V296 D300 A315 R318 V319 K322R294-M298 VanDerWaalsContact O-CB 3.32Å; R294-M298 WeakPolarHBondContact O-CB 3.11Å; R294-M298 WeakPolarHBondContact O-CG 3.08Å; R294-M298 PolarHBondContact O-N 3.13Å; L295-M298 PolarHBondContact O-N 2.78Å; V296-M298 VanDerWaalsContact C-N 3.31Å; V296-M298 PolarHBondContact O-N 3.36Å; M298-D300 VanDerWaalsContact C-N 3.3Å; M298-A315 HydrophobicContact CB-CB 4.37Å; M298-R318 HydrophobicContact CB-CB 4.07Å; M298-R318 HydrophobicContact CG-CB 4.24Å; M298-R318 PolarHBondContact O-NH1 2.67Å; M298-R318 VanDerWaalsContact O-NH1 3.12Å; M298-R318 HydrophobicContact SD-CB 3.95Å; M298-V319 HydrophobicContact CG-CB 4.15Å; M298-V319 HydrophobicContact CG-CG2 4.42Å; M298-K322 HydrophobicContact CE-CB 4.2Å; M298-K322 HydrophobicContact CE-CG 4.15Å
299S93.1Very high93.7Very high11 Ų1131.6 Ų31.68%0.07716%0.157CC..THydrogen-bonded Turntrans-80.4-8.6179.8730000114.5F241 L295 V296 Q297 R301F241-S299 WeakPolarHBondContact CZ-OG 3.43Å; L295-S299 VanDerWaalsContact O-CB 3.3Å; L295-S299 WeakPolarHBondContact O-CB 3.47Å; L295-S299 PolarHBondContact O-N 3.31Å; V296-S299 PolarHBondContact O-N 3.16Å; V296-S299 PolarHBondContact O-OG 3.46Å; Q297-S299 VanDerWaalsContact C-N 3.34Å; S299-R301 PolarHBondContact O-N 3.08Å; S299-R301 VanDerWaalsContact O-N 3.07Å; S299-R301 WeakPolarHBondContact OG-CB 3.19Å; S299-R301 PolarHBondContact OG-N 3.19Å
300D86.9Confident93.6Very high102 Ų10234.8 Ų34.855%0.54518%0.179SC..THydrogen-bonded Turntrans55.516.9-170.6-55.8-38.2000114.1M298 R318M298-D300 VanDerWaalsContact C-N 3.3Å; D300-R318 IonicContact OD1-NH1 2.8Å; D300-R318 IonicContact OD2-CZ 3.74Å; D300-R318 IonicContact OD2-NH1 3.97Å; D300-R318 PolarHBondContact OD2-NH1 2.59Å; D300-R318 IonicContact OD2-NH2 3.35Å
301R89.3Confident93.5Very high99 Ų9936 Ų3637%0.37419%0.188SC..PPolyproline II helixtrans-93.5150.3172.5-58.5-58.5-178.9-178.6-2.5110.4S299 E305 C307 S311S299-R301 PolarHBondContact O-N 3.08Å; S299-R301 VanDerWaalsContact O-N 3.07Å; S299-R301 WeakPolarHBondContact OG-CB 3.19Å; S299-R301 PolarHBondContact OG-N 3.19Å; R301-E305 HydrophobicContact CB-CB 4.4Å; R301-C307 HydrophobicContact CG-CB 4.24Å; R301-S311 PolarHBondContact NH2-OG 2.99Å; R301-S311 VanDerWaalsContact NH2-OG 3.12Å
302K89.3Confident93.5Very high76 Ų7636 Ų3633%0.3319%0.188SC..PPolyproline II helixtrans-76148.4169.7-61.4174.5-169.5157.20109.8G304 E305K302-G304 PolarHBondContact O-N 2.88Å; K302-E305 HydrophobicContact CB-CG 4.04Å; K302-E305 PolarHBondContact N-OE2 2.99Å; K302-E305 VanDerWaalsContact N-OE2 3.09Å; K302-E305 WeakPolarHBondContact O-CB 3.37Å; K302-E305 PolarHBondContact O-N 3.46Å
303P90.4Very high93.5Very high23 Ų2336 Ų3615%0.14919%0.188CC..THydrogen-bonded Turntrans-49131.8164.9-27.436000110.7L154 Q231 W237 V296L154-P303 HydrophobicContact CB-CB 4.03Å; L154-P303 HydrophobicContact CB-CG 3.6Å; L154-P303 HydrophobicContact CD1-CB 3.8Å; L154-P303 HydrophobicContact CD1-CG 4.16Å; Q231-P303 HydrophobicContact CB-CB 3.88Å; Q231-P303 HydrophobicContact CG-CB 4.2Å; W237-P303 HydrophobicContact CH2-CB 4.45Å; V296-P303 HydrophobicContact CG1-CG 4.12Å
304G90.2Very high93.6Very high39 Ų3937.3 Ų37.340%0.40220%0.196SC..THydrogen-bonded Turntrans92.9-18.4-175.600000115.3W237 K302W237-G304 WeakPolarHBondContact CB-O 3.49Å; W237-G304 VanDerWaalsContact CD2-N 3.34Å; K302-G304 PolarHBondContact O-N 2.88Å
305E90.8Very high93.6Very high73 Ų7336 Ų3634%0.34119%0.191SC..SBendtrans-80.6151177.2-70.9179.4172.600112.1R301 K302 C307R301-E305 HydrophobicContact CB-CB 4.4Å; K302-E305 HydrophobicContact CB-CG 4.04Å; K302-E305 PolarHBondContact N-OE2 2.99Å; K302-E305 VanDerWaalsContact N-OE2 3.09Å; K302-E305 WeakPolarHBondContact O-CB 3.37Å; K302-E305 PolarHBondContact O-N 3.46Å; E305-C307 PolarHBondContact O-N 3.34Å
306W90.4Very high93.7Very high94 Ų9436 Ų3636%0.35619%0.192SC..PPolyproline II helixtrans-74.1127.1174.2175.168.7000110.8R431W306-R431 HydrophobicContact CB-CB 4.31Å; W306-R431 HydrophobicContact CB-CG 4.09Å; W306-R431 VanDerWaalsContact CD1-CA 3.46Å; W306-R431 HydrophobicContact CG-CB 4Å; W306-R431 HydrophobicContact CG-CG 4.27Å
307C93.3Very high93.7Very high0 Ų035.9 Ų35.90%019%0.191CC..PPolyproline II helixtrans-100.7124.1169.1-172.10000108.7M240 F241 R301 E305 S311 I312M240-C307 WeakPolarHBondContact CB-O 3.27Å; M240-C307 WeakPolarHBondContact CG-O 3.43Å; F241-C307 HydrophobicContact CD2-CB 4.13Å; F241-C307 HydrophobicContact CE1-CB 4.2Å; F241-C307 HydrophobicContact CE2-CB 3.45Å; F241-C307 VanDerWaalsContact CE2-CB 3.45Å; F241-C307 HydrophobicContact CZ-CB 3.5Å; F241-C307 VanDerWaalsContact CZ-CB 3.5Å; R301-C307 HydrophobicContact CG-CB 4.24Å; E305-C307 PolarHBondContact O-N 3.34Å; C307-S311 WeakPolarHBondContact SG-CB 3.45Å; C307-I312 PolarHBondContact SG-N 3.45Å; C307-I312 VanDerWaalsContact SG-N 3.44Å
308G94.8Very high93.8Very high6 Ų635.4 Ų35.46%0.06219%0.186CC..PPolyproline II helixtrans-87.2170.917700000113.4S310 S311 I312G308-S310 PolarHBondContact O-N 3.11Å; G308-S311 PolarHBondContact O-N 2.9Å; G308-I312 PolarHBondContact O-N 3.24Å
309P96.7Very high94Very high3 Ų333.7 Ų33.72%0.01918%0.178CC..Hα-helixtrans-53.1-45.6-176.3-26.634.4000114.2M240 S311 I312 C313 C486 A487M240-P309 HydrophobicContact CE-CG 3.67Å; M240-P309 HydrophobicContact SD-CG 4.34Å; P309-S311 PolarHBondContact O-N 2.75Å; P309-I312 WeakPolarHBondContact O-CG2 3.25Å; P309-I312 PolarHBondContact O-N 2.82Å; P309-C313 PolarHBondContact O-N 3.49Å; P309-C313 PolarHBondContact O-SG 3.28Å; P309-C486 VanDerWaalsContact CB-C 3.5Å; P309-A487 HydrophobicContact CB-CB 3.89Å
310S95.4Very high94.2Very high67 Ų6733.2 Ų33.247%0.46918%0.175SC..Hα-helixtrans-64.6-38.4178-168.90000113G308 S314G308-S310 PolarHBondContact O-N 3.11Å; S310-S314 PolarHBondContact O-N 3.25Å; S310-S314 PolarHBondContact O-OG 3.14Å
311S95.8Very high94.5Very high27 Ų2728.4 Ų28.419%0.18915%0.149CC..Hα-helixtrans-69.5-41.3179.3-64.40000111.3R301 C307 G308 P309 C313 S314 A315R301-S311 PolarHBondContact NH2-OG 2.99Å; R301-S311 VanDerWaalsContact NH2-OG 3.12Å; C307-S311 WeakPolarHBondContact SG-CB 3.45Å; G308-S311 PolarHBondContact O-N 2.9Å; P309-S311 PolarHBondContact O-N 2.75Å; S311-C313 VanDerWaalsContact C-N 3.35Å; S311-S314 WeakPolarHBondContact O-CB 3.45Å; S311-S314 PolarHBondContact O-N 2.92Å; S311-A315 PolarHBondContact O-N 3.07Å
312I97.7Very high94.7Very high0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-67.7-35.3177-173.260.5000111.6M240 F241 L295 C307 G308 P309 S314 A315 I316 I427M240-I312 HydrophobicContact CG-CB 4.05Å; M240-I312 HydrophobicContact CG-CG2 3.64Å; M240-I312 HydrophobicContact SD-CG2 3.9Å; F241-I312 HydrophobicContact CD1-CD1 3.57Å; F241-I312 HydrophobicContact CE1-CD1 4.14Å; F241-I312 HydrophobicContact CG-CD1 4.3Å; L295-I312 HydrophobicContact CD2-CD1 4.12Å; C307-I312 PolarHBondContact SG-N 3.45Å; C307-I312 VanDerWaalsContact SG-N 3.44Å; G308-I312 PolarHBondContact O-N 3.24Å; P309-I312 WeakPolarHBondContact O-CG2 3.25Å; P309-I312 PolarHBondContact O-N 2.82Å; I312-S314 VanDerWaalsContact C-N 3.33Å; I312-S314 PolarHBondContact O-N 3.47Å; I312-A315 HydrophobicContact CD1-CB 4.31Å; I312-A315 PolarHBondContact O-N 2.88Å; I312-I316 HydrophobicContact CG1-CD1 4.21Å; I312-I316 HydrophobicContact CG1-CG1 4.46Å; I312-I316 VanDerWaalsContact O-CG1 3.32Å; I312-I316 WeakPolarHBondContact O-CG1 3.32Å; I312-I316 PolarHBondContact O-N 3.29Å; I312-I427 HydrophobicContact CG2-CD1 3.61Å
313C97.9Very high95Very high0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-61.1-42.3172.7-68.60000112.2P309 S311 A315 I316 L317 L337 L395 P397 A487P309-C313 PolarHBondContact O-N 3.49Å; P309-C313 PolarHBondContact O-SG 3.28Å; S311-C313 VanDerWaalsContact C-N 3.35Å; C313-A315 VanDerWaalsContact C-N 3.33Å; C313-I316 PolarHBondContact O-N 3.07Å; C313-L317 PolarHBondContact O-N 3.21Å; C313-L337 HydrophobicContact CB-CD1 3.68Å; C313-L337 HydrophobicContact CB-CD2 4.32Å; C313-L395 HydrophobicContact CB-CB 4.31Å; C313-L395 HydrophobicContact CB-CD1 3.92Å; C313-P397 HydrophobicContact CB-CG 4.39Å; C313-A487 WeakPolarHBondContact SG-CB 3.44Å
314S96.3Very high95.1Very high27 Ų2725.2 Ų25.219%0.18914%0.137CC..Hα-helixtrans-63.6-40.6175.4-52.80000111.3S310 S311 I312 L317 R318S310-S314 PolarHBondContact O-N 3.25Å; S310-S314 PolarHBondContact O-OG 3.14Å; S311-S314 WeakPolarHBondContact O-CB 3.45Å; S311-S314 PolarHBondContact O-N 2.92Å; I312-S314 VanDerWaalsContact C-N 3.33Å; I312-S314 PolarHBondContact O-N 3.47Å; S314-L317 PolarHBondContact O-N 2.75Å; S314-R318 WeakPolarHBondContact O-CG 3.39Å; S314-R318 PolarHBondContact O-N 3.23Å; S314-R318 VanDerWaalsContact O-N 3.13Å
315A97Very high95.2Very high0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-65-41.2175.600000112.4L295 M298 S311 I312 C313 L317 R318 V319L295-A315 HydrophobicContact CD2-CB 4.27Å; M298-A315 HydrophobicContact CB-CB 4.37Å; S311-A315 PolarHBondContact O-N 3.07Å; I312-A315 HydrophobicContact CD1-CB 4.31Å; I312-A315 PolarHBondContact O-N 2.88Å; C313-A315 VanDerWaalsContact C-N 3.33Å; A315-L317 VanDerWaalsContact C-N 3.32Å; A315-L317 PolarHBondContact O-N 2.89Å; A315-R318 PolarHBondContact O-N 2.87Å; A315-V319 WeakPolarHBondContact O-CB 3.14Å; A315-V319 WeakPolarHBondContact O-CG1 3.29Å; A315-V319 PolarHBondContact O-N 3.28Å
316I98.4Very high95.4Very high1 Ų126.1 Ų26.11%0.00514%0.139CC..Hα-helixtrans-58.7-45.7175.3-75.3166.6000110.6L248 L295 I312 C313 V319 M320 V335 L395L248-I316 HydrophobicContact CD1-CG2 4.05Å; L248-I316 HydrophobicContact CD2-CG2 4.12Å; L248-I316 HydrophobicContact CG-CG2 4.47Å; L295-I316 HydrophobicContact CD2-CG1 4.13Å; I312-I316 HydrophobicContact CG1-CD1 4.21Å; I312-I316 HydrophobicContact CG1-CG1 4.46Å; I312-I316 VanDerWaalsContact O-CG1 3.32Å; I312-I316 WeakPolarHBondContact O-CG1 3.32Å; I312-I316 PolarHBondContact O-N 3.29Å; C313-I316 PolarHBondContact O-N 3.07Å; I316-V319 WeakPolarHBondContact O-CG1 3.41Å; I316-M320 HydrophobicContact CG2-CG 4.47Å; I316-M320 VanDerWaalsContact O-CB 3.32Å; I316-M320 WeakPolarHBondContact O-CB 3.45Å; I316-M320 VanDerWaalsContact O-CG 3.29Å; I316-M320 WeakPolarHBondContact O-CG 3.32Å; I316-M320 PolarHBondContact O-N 3.22Å; I316-V335 HydrophobicContact CG2-CG1 4.37Å; I316-V335 HydrophobicContact CG2-CG2 4.27Å; I316-L395 HydrophobicContact CB-CD1 4.19Å; I316-L395 HydrophobicContact CD1-CD1 4.44Å; I316-L395 HydrophobicContact CG2-CD1 3.87Å
317L96.5Very high95.6Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-59.3-51178.3-179.3158.4000111.7C313 S314 A315 M320 A321 V335 L337 D369 T371 Y374C313-L317 PolarHBondContact O-N 3.21Å; S314-L317 PolarHBondContact O-N 2.75Å; A315-L317 VanDerWaalsContact C-N 3.32Å; A315-L317 PolarHBondContact O-N 2.89Å; L317-M320 PolarHBondContact O-N 3.41Å; L317-A321 PolarHBondContact O-N 3.24Å; L317-V335 HydrophobicContact CB-CB 4.35Å; L317-V335 HydrophobicContact CB-CG1 4.09Å; L317-V335 HydrophobicContact CG-CB 4.43Å; L317-V335 HydrophobicContact CG-CG1 4.49Å; L317-L337 HydrophobicContact CD1-CB 3.67Å; L317-L337 HydrophobicContact CD1-CD2 4.39Å; L317-D369 HydrophobicContact CD1-CB 3.96Å; L317-D369 WeakPolarHBondContact CD1-O 3.36Å; L317-D369 WeakPolarHBondContact CD1-OD1 3.27Å; L317-D369 VanDerWaalsContact CD2-OD1 3.29Å; L317-D369 WeakPolarHBondContact CD2-OD1 3.48Å; L317-T371 HydrophobicContact CG-CG2 4.43Å; L317-T371 VanDerWaalsContact O-CG2 3.27Å; L317-T371 WeakPolarHBondContact O-CG2 3.24Å; L317-Y374 HydrophobicContact CD2-CD2 3.3Å; L317-Y374 HydrophobicContact CD2-CE2 3.59Å; L317-Y374 HydrophobicContact CD2-CG 4Å
318R95.9Very high95.6Very high58 Ų5827 Ų2722%0.21916%0.158CC..Hα-helixtrans-67.5-40.1-178.9-65.9175.8-170.1176.7-1.9112.5M298 D300 S314 A315 M320 A321 K322 Y374M298-R318 HydrophobicContact CB-CB 4.07Å; M298-R318 HydrophobicContact CG-CB 4.24Å; M298-R318 PolarHBondContact O-NH1 2.67Å; M298-R318 VanDerWaalsContact O-NH1 3.12Å; M298-R318 HydrophobicContact SD-CB 3.95Å; D300-R318 IonicContact OD1-NH1 2.8Å; D300-R318 IonicContact OD2-CZ 3.74Å; D300-R318 IonicContact OD2-NH1 3.97Å; D300-R318 PolarHBondContact OD2-NH1 2.59Å; D300-R318 IonicContact OD2-NH2 3.35Å; S314-R318 WeakPolarHBondContact O-CG 3.39Å; S314-R318 PolarHBondContact O-N 3.23Å; S314-R318 VanDerWaalsContact O-N 3.13Å; A315-R318 PolarHBondContact O-N 2.87Å; R318-M320 VanDerWaalsContact C-N 3.34Å; R318-A321 PolarHBondContact O-N 3.41Å; R318-K322 PolarHBondContact O-N 3.35Å; R318-Y374 HydrophobicContact CG-CD1 3.74Å; R318-Y374 HydrophobicContact CG-CE1 3.88Å; R318-Y374 HydrophobicContact CG-CG 4.15Å
319V97.1Very high95.5Very high2 Ų230.2 Ų30.21%0.01217%0.168CC..Hα-helixtrans-69.1-33.417984.40000111.5P289 L290 R294 L295 M298 A315 I316 G323P289-V319 VanDerWaalsContact O-CG2 3.23Å; P289-V319 WeakPolarHBondContact O-CG2 3.33Å; L290-V319 HydrophobicContact CD2-CG1 3.93Å; L290-V319 HydrophobicContact CD2-CG2 4.35Å; R294-V319 HydrophobicContact CB-CG2 3.71Å; L295-V319 HydrophobicContact CD2-CB 4.26Å; L295-V319 HydrophobicContact CD2-CG1 3.64Å; L295-V319 HydrophobicContact CG-CG1 4.3Å; M298-V319 HydrophobicContact CG-CB 4.15Å; M298-V319 HydrophobicContact CG-CG2 4.42Å; A315-V319 WeakPolarHBondContact O-CB 3.14Å; A315-V319 WeakPolarHBondContact O-CG1 3.29Å; A315-V319 PolarHBondContact O-N 3.28Å; I316-V319 WeakPolarHBondContact O-CG1 3.41Å; V319-G323 VanDerWaalsContact O-CA 3.29Å; V319-G323 WeakPolarHBondContact O-CA 3.4Å; V319-G323 PolarHBondContact O-N 3.25Å
320M97.4Very high95.5Very high1 Ų130 Ų301%0.00517%0.167CC..Hα-helixtrans-67.8-41.3172.5-78.7-65.7-66.100111.5L248 L252 L290 I316 L317 R318 S324 L330 V333 V335 T371L248-M320 HydrophobicContact CD1-CG 4.06Å; L248-M320 HydrophobicContact CD1-SD 3.95Å; L248-M320 HydrophobicContact CD2-CG 4.09Å; L248-M320 HydrophobicContact CD2-SD 3.98Å; L248-M320 HydrophobicContact CG-SD 4.45Å; L252-M320 HydrophobicContact CD2-CE 4.41Å; L290-M320 HydrophobicContact CD1-SD 4.14Å; L290-M320 HydrophobicContact CD2-CG 4.47Å; L290-M320 HydrophobicContact CD2-SD 3.74Å; I316-M320 HydrophobicContact CG2-CG 4.47Å; I316-M320 VanDerWaalsContact O-CB 3.32Å; I316-M320 WeakPolarHBondContact O-CB 3.45Å; I316-M320 VanDerWaalsContact O-CG 3.29Å; I316-M320 WeakPolarHBondContact O-CG 3.32Å; I316-M320 PolarHBondContact O-N 3.22Å; L317-M320 PolarHBondContact O-N 3.41Å; R318-M320 VanDerWaalsContact C-N 3.34Å; M320-S324 WeakPolarHBondContact O-CB 3.39Å; M320-S324 PolarHBondContact O-N 3.22Å; M320-L330 HydrophobicContact CE-CB 4.28Å; M320-L330 HydrophobicContact CE-CD2 4.27Å; M320-L330 HydrophobicContact SD-CD2 4.27Å; M320-V333 HydrophobicContact CE-CB 4.11Å; M320-V333 HydrophobicContact CE-CG1 4.49Å; M320-V335 HydrophobicContact CB-CG2 3.84Å; M320-V335 HydrophobicContact CG-CG2 3.71Å; M320-T371 HydrophobicContact CB-CG2 3.79Å
321A93.9Very high95.3Very high1 Ų129 Ų291%0.00816%0.16CC..Hα-helixtrans-60.7-52.5175.500000111.2L317 R318 S324 T371 R375L317-A321 PolarHBondContact O-N 3.24Å; R318-A321 PolarHBondContact O-N 3.41Å; A321-S324 PolarHBondContact O-N 2.67Å; A321-S324 PolarHBondContact O-OG 3.09Å; A321-T371 HydrophobicContact CB-CG2 4.19Å; A321-T371 WeakPolarHBondContact CB-O 3.3Å; A321-R375 HydrophobicContact CB-CG 4.17Å
322K93.7Very high95.2Very high115 Ų11532 Ų3250%0.517%0.171SC..Hα-helixtrans-69.2-36.5178.5-173.858.51751770112.9M298 R318 S324 S325M298-K322 HydrophobicContact CE-CB 4.2Å; M298-K322 HydrophobicContact CE-CG 4.15Å; R318-K322 PolarHBondContact O-N 3.35Å; K322-S324 VanDerWaalsContact C-N 3.25Å; K322-S324 PolarHBondContact O-N 3.25Å; K322-S325 PolarHBondContact O-N 3.35Å; K322-S325 PolarHBondContact O-OG 3.08Å
323G95.5Very high95.2Very high1 Ų132 Ų321%0.0117%0.171CC..Hα-helixtrans-62.4-33.5177.800000112.4V319 S325 L326 D327V319-G323 VanDerWaalsContact O-CA 3.29Å; V319-G323 WeakPolarHBondContact O-CA 3.4Å; V319-G323 PolarHBondContact O-N 3.25Å; G323-S325 PolarHBondContact O-N 3.02Å; G323-L326 PolarHBondContact O-N 3.44Å; G323-D327 PolarHBondContact O-N 2.78Å
324S93.3Very high95Very high14 Ų1432.3 Ų32.310%0.09817%0.172CC..THydrogen-bonded Turntrans-63.7-21.8176.870.60000114.7M320 A321 K322 L326 D327 R375M320-S324 WeakPolarHBondContact O-CB 3.39Å; M320-S324 PolarHBondContact O-N 3.22Å; A321-S324 PolarHBondContact O-N 2.67Å; A321-S324 PolarHBondContact O-OG 3.09Å; K322-S324 VanDerWaalsContact C-N 3.25Å; K322-S324 PolarHBondContact O-N 3.25Å; S324-L326 VanDerWaalsContact C-N 3.31Å; S324-D327 CarbonylContact O-C 3.56Å; S324-R375 PolarHBondContact OG-NE 3.31Å
325S92.1Very high95.1Very high50 Ų5031 Ų3135%0.3516%0.163SC..THydrogen-bonded Turntrans-80.3-12.7172.483.30000113.1K322 G323K322-S325 PolarHBondContact O-N 3.35Å; K322-S325 PolarHBondContact O-OG 3.08Å; G323-S325 PolarHBondContact O-N 3.02Å
326L94.1Very high95.1Very high82 Ų8231 Ų3143%0.42916%0.163SC..THydrogen-bonded Turntrans-107.3-28.4-178.9-65.7170.9000111.9G323 S324G323-L326 PolarHBondContact O-N 3.44Å; S324-L326 VanDerWaalsContact C-N 3.31Å
327D94.3Very high95Very high22 Ų2231.2 Ų31.212%0.11816%0.164CC..  trans-138.4107.2169.2-164.7-41.3000109.8W279 P289 G323 S324 R329 L330W279-D327 PolarHBondContact NE1-OD2 3.03Å; P289-D327 HydrophobicContact CG-CB 4.47Å; G323-D327 PolarHBondContact O-N 2.78Å; S324-D327 CarbonylContact O-C 3.56Å; D327-R329 PolarHBondContact O-N 2.72Å; D327-R329 VanDerWaalsContact OD1-CB 3.27Å; D327-R329 WeakPolarHBondContact OD1-CB 3.4Å; D327-R329 WeakPolarHBondContact OD1-CG 3.31Å; D327-R329 IonicContact OD1-CZ 3.67Å; D327-R329 PolarHBondContact OD1-N 3.17Å; D327-R329 VanDerWaalsContact OD1-N 3.07Å; D327-R329 IonicContact OD1-NE 2.83Å; D327-R329 PolarHBondContact OD1-NE 3.37Å; D327-R329 IonicContact OD1-NH2 3.66Å; D327-R329 IonicContact OD2-CZ 3.37Å; D327-R329 IonicContact OD2-NE 3.31Å; D327-R329 PolarHBondContact OD2-NE 2.87Å; D327-R329 IonicContact OD2-NH2 2.66Å; D327-R329 PolarHBondContact OD2-NH2 3.21Å; D327-L330 HydrophobicContact CB-CD1 4.32Å; D327-L330 HydrophobicContact CB-CG 4.37Å; D327-L330 WeakPolarHBondContact O-CB 3.43Å; D327-L330 PolarHBondContact O-N 3.11Å
328S93.2Very high94.9Very high91 Ų9131.3 Ų31.364%0.63617%0.165SC*.G310 helixtrans-60.3-20.2-176.261.60000113.3L330 S331S328-L330 VanDerWaalsContact C-N 3.25Å; S328-L330 PolarHBondContact O-N 2.84Å; S328-S331 VanDerWaalsContact O-CB 3.27Å; S328-S331 WeakPolarHBondContact O-CB 3.39Å; S328-S331 PolarHBondContact O-N 3.37Å; S328-S331 VanDerWaalsContact O-N 3.09Å; S328-S331 PolarHBondContact O-OG 3.16Å
329R94.2Very high94.5Very high72 Ų7233.6 Ų33.627%0.27217%0.173SC..G310 helixtrans-64.6-30.8175.7-62.7171.3-74.6-170.2-1.5112F256 W279 D327 S331 Q332F256-R329 HydrophobicContact CE1-CB 4.4Å; F256-R329 HydrophobicContact CZ-CB 4.18Å; W279-R329 HydrophobicContact CH2-CB 4.25Å; W279-R329 HydrophobicContact CZ2-CB 4.07Å; D327-R329 PolarHBondContact O-N 2.72Å; D327-R329 VanDerWaalsContact OD1-CB 3.27Å; D327-R329 WeakPolarHBondContact OD1-CB 3.4Å; D327-R329 WeakPolarHBondContact OD1-CG 3.31Å; D327-R329 IonicContact OD1-CZ 3.67Å; D327-R329 PolarHBondContact OD1-N 3.17Å; D327-R329 VanDerWaalsContact OD1-N 3.07Å; D327-R329 IonicContact OD1-NE 2.83Å; D327-R329 PolarHBondContact OD1-NE 3.37Å; D327-R329 IonicContact OD1-NH2 3.66Å; D327-R329 IonicContact OD2-CZ 3.37Å; D327-R329 IonicContact OD2-NE 3.31Å; D327-R329 PolarHBondContact OD2-NE 2.87Å; D327-R329 IonicContact OD2-NH2 2.66Å; D327-R329 PolarHBondContact OD2-NH2 3.21Å; R329-S331 PolarHBondContact O-N 2.8Å; R329-Q332 WeakPolarHBondContact O-CB 3.47Å; R329-Q332 VanDerWaalsContact O-CG 3.32Å; R329-Q332 WeakPolarHBondContact O-CG 3.46Å; R329-Q332 PolarHBondContact O-N 2.8Å
330L95.3Very high94.1Very high0 Ų040 Ų400%021%0.207CC..G310 helixtrans-67.1-18.8176.1-64.3176.6000112.6L252 W279 P289 L290 M320 D327 S328 Q332 V333L252-L330 HydrophobicContact CD1-CD2 4.34Å; L252-L330 HydrophobicContact CD2-CD2 4.27Å; W279-L330 HydrophobicContact CD2-CD2 4.01Å; W279-L330 HydrophobicContact CE3-CD2 3.78Å; W279-L330 HydrophobicContact CH2-CD2 3.89Å; W279-L330 HydrophobicContact CZ2-CD2 4.09Å; W279-L330 HydrophobicContact CZ2-CG 4.31Å; W279-L330 HydrophobicContact CZ3-CD2 3.73Å; P289-L330 HydrophobicContact CB-CD1 3.95Å; P289-L330 HydrophobicContact CG-CD1 3.64Å; L290-L330 HydrophobicContact CD1-CD1 4.36Å; L290-L330 HydrophobicContact CD1-CD2 4.02Å; L290-L330 HydrophobicContact CD2-CD1 4.11Å; L290-L330 HydrophobicContact CG-CD1 4.22Å; M320-L330 HydrophobicContact CE-CB 4.28Å; M320-L330 HydrophobicContact CE-CD2 4.27Å; M320-L330 HydrophobicContact SD-CD2 4.27Å; D327-L330 HydrophobicContact CB-CD1 4.32Å; D327-L330 HydrophobicContact CB-CG 4.37Å; D327-L330 WeakPolarHBondContact O-CB 3.43Å; D327-L330 PolarHBondContact O-N 3.11Å; S328-L330 VanDerWaalsContact C-N 3.25Å; S328-L330 PolarHBondContact O-N 2.84Å; L330-Q332 PolarHBondContact O-N 3.34Å; L330-V333 PolarHBondContact O-N 3.29Å
331S92.7Very high93.7Very high45 Ų4545.8 Ų45.832%0.31523%0.229SC..G310 helixtrans-67.6-15.3175.674.90000113.9S328 R329 V333S328-S331 VanDerWaalsContact O-CB 3.27Å; S328-S331 WeakPolarHBondContact O-CB 3.39Å; S328-S331 PolarHBondContact O-N 3.37Å; S328-S331 VanDerWaalsContact O-N 3.09Å; S328-S331 PolarHBondContact O-OG 3.16Å; R329-S331 PolarHBondContact O-N 2.8Å; S331-V333 PolarHBondContact O-N 3.35Å
332Q93.6Very high93.6Very high90 Ų9046.9 Ų46.942%0.42124%0.236SC..G310 helixtrans-70.9-17178.5-61.8-179.73.200113.3H255 R329 L330 A391H255-Q332 PolarHBondContact NE2-OE1 3.43Å; H255-Q332 VanDerWaalsContact NE2-OE1 3.08Å; R329-Q332 WeakPolarHBondContact O-CB 3.47Å; R329-Q332 VanDerWaalsContact O-CG 3.32Å; R329-Q332 WeakPolarHBondContact O-CG 3.46Å; R329-Q332 PolarHBondContact O-N 2.8Å; L330-Q332 PolarHBondContact O-N 3.34Å; Q332-A391 PolarHBondContact O-N 3.37Å
333V96Very high93.6Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-119.7122.5178.6-175.30000109.3L252 H255 M320 L330 S331 A391 L393 Y491L252-V333 HydrophobicContact CD2-CG2 4.26Å; H255-V333 HydrophobicContact CB-CG2 4.27Å; M320-V333 HydrophobicContact CE-CB 4.11Å; M320-V333 HydrophobicContact CE-CG1 4.49Å; L330-V333 PolarHBondContact O-N 3.29Å; S331-V333 PolarHBondContact O-N 3.35Å; V333-A391 CarbonylContact C-O 3.39Å; V333-A391 WeakPolarHBondContact CA-O 3.18Å; V333-A391 HydrophobicContact CG2-CB 4.33Å; V333-L393 HydrophobicContact CG1-CB 4.07Å; V333-Y491 HydrophobicContact CG2-CE2 4.49Å
334Q95.3Very high93.4Very high7 Ų743.2 Ų43.23%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-95.9140.4170.2-57.6-71.1-1300109.4L351 T371 T390 A391 I392 L393Q334-L351 HydrophobicContact CB-CD1 4.23Å; Q334-L351 HydrophobicContact CB-CD2 4.05Å; Q334-L351 HydrophobicContact CB-CG 4.02Å; Q334-L351 HydrophobicContact CG-CD1 4.09Å; Q334-L351 HydrophobicContact CG-CG 4.19Å; Q334-T371 WeakPolarHBondContact CA-OG1 3.23Å; Q334-T371 PolarHBondContact OE1-OG1 3.49Å; Q334-T390 HydrophobicContact CG-CG2 4.2Å; Q334-T390 WeakPolarHBondContact CG-OG1 3.22Å; Q334-A391 PolarHBondContact N-O 2.91Å; Q334-I392 HydrophobicContact CB-CD1 3.75Å; Q334-I392 HydrophobicContact CG-CD1 4.38Å; Q334-I392 CarbonylContact O-C 3.49Å; Q334-I392 WeakPolarHBondContact O-CA 3.08Å; Q334-L393 PolarHBondContact O-N 3.43Å
335V97.1Very high93.4Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-98.8125.6171.6-174.30000107.9I316 L317 M320 H370 T371 L393 L395I316-V335 HydrophobicContact CG2-CG1 4.37Å; I316-V335 HydrophobicContact CG2-CG2 4.27Å; L317-V335 HydrophobicContact CB-CB 4.35Å; L317-V335 HydrophobicContact CB-CG1 4.09Å; L317-V335 HydrophobicContact CG-CB 4.43Å; L317-V335 HydrophobicContact CG-CG1 4.49Å; M320-V335 HydrophobicContact CB-CG2 3.84Å; M320-V335 HydrophobicContact CG-CG2 3.71Å; V335-H370 WeakPolarHBondContact O-CA 3.32Å; V335-H370 WeakPolarHBondContact O-CB 3.35Å; V335-T371 HydrophobicContact CB-CG2 3.8Å; V335-T371 HydrophobicContact CG2-CG2 3.94Å; V335-T371 PolarHBondContact N-OG1 3.49Å; V335-T371 PolarHBondContact O-N 2.73Å; V335-T371 PolarHBondContact O-OG1 2.82Å; V335-L393 WeakPolarHBondContact CA-O 3.44Å; V335-L393 HydrophobicContact CG2-CB 4.46Å; V335-L393 HydrophobicContact CG2-CD2 4.31Å; V335-L395 HydrophobicContact CG1-CD1 3.62Å; V335-L395 HydrophobicContact CG1-CG 3.98Å
336Y96.6Very high93.3Very high0 Ų046.8 Ų46.80%023%0.226CC..EExtended strand (participates in β ladder)trans-111.2121.8170.2-176.5-77000108.4A338 I343 Y344 I348 L351 T368 H370 L393 L394 L395Y336-A338 HydrophobicContact CE1-CB 4.31Å; Y336-I343 HydrophobicContact CE1-CG1 4.45Å; Y336-I343 HydrophobicContact CE1-CG2 4.38Å; Y336-Y344 PolarHBondContact OH-N 3.28Å; Y336-I348 HydrophobicContact CD1-CD1 3.78Å; Y336-I348 HydrophobicContact CD1-CG1 4.32Å; Y336-I348 HydrophobicContact CD2-CB 3.84Å; Y336-I348 HydrophobicContact CD2-CD1 4.07Å; Y336-I348 HydrophobicContact CD2-CG1 3.67Å; Y336-I348 HydrophobicContact CE1-CD1 4.17Å; Y336-I348 HydrophobicContact CE2-CB 3.7Å; Y336-I348 HydrophobicContact CE2-CD1 4.43Å; Y336-I348 HydrophobicContact CE2-CG1 4.06Å; Y336-I348 HydrophobicContact CG-CB 4.38Å; Y336-I348 HydrophobicContact CG-CD1 3.71Å; Y336-I348 HydrophobicContact CG-CG1 3.8Å; Y336-L351 HydrophobicContact CD2-CD2 3.96Å; Y336-T368 HydrophobicContact CE2-CG2 4.23Å; Y336-T368 WeakPolarHBondContact OH-CG2 3.33Å; Y336-H370 HydrophobicContact CD2-CB 4.32Å; Y336-L393 PolarHBondContact N-O 3.22Å; Y336-L394 HydrophobicContact CD1-CD1 3.53Å; Y336-L394 HydrophobicContact CE1-CD1 4.16Å; Y336-L394 HydrophobicContact CG-CD1 4.45Å; Y336-L394 WeakPolarHBondContact O-CA 3.22Å; Y336-L395 PolarHBondContact O-N 3.2Å
337L96.3Very high93.1Very high5 Ų545 Ų453%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-105.6109.3178.9172.257.3000109.6C313 L317 R339 D369 L395 P397C313-L337 HydrophobicContact CB-CD1 3.68Å; C313-L337 HydrophobicContact CB-CD2 4.32Å; L317-L337 HydrophobicContact CD1-CB 3.67Å; L317-L337 HydrophobicContact CD1-CD2 4.39Å; L337-R339 PolarHBondContact O-N 2.85Å; L337-D369 HydrophobicContact CB-CB 4.13Å; L337-D369 WeakPolarHBondContact CB-O 3.45Å; L337-D369 HydrophobicContact CD2-CB 4.28Å; L337-D369 HydrophobicContact CG-CB 4.4Å; L337-D369 PolarHBondContact N-O 2.77Å; L337-L395 HydrophobicContact CD1-CB 4.08Å; L337-P397 HydrophobicContact CD1-CG 3.63Å
338A94.7Very high93Very high1 Ų144 Ų441%0.00821%0.21CC..  trans-71.2115.217600000110.3Y336 I343 L394 L395 I396 P397Y336-A338 HydrophobicContact CE1-CB 4.31Å; A338-I343 HydrophobicContact CB-CG1 3.8Å; A338-L394 HydrophobicContact CB-CD1 4.29Å; A338-L395 PolarHBondContact N-O 3.25Å; A338-I396 HydrophobicContact CB-CB 4.45Å; A338-I396 HydrophobicContact CB-CG1 4.11Å; A338-I396 HydrophobicContact CB-CG2 4.21Å; A338-P397 WeakPolarHBondContact O-CD 3.33Å
339R88.3Confident93Very high106 Ų10640.2 Ų40.240%0.418%0.182SC..SBendtrans-84.8143173-68-171.1175.6-173.23.6110.1L337 R341 V342 D369L337-R339 PolarHBondContact O-N 2.85Å; R339-R341 PolarHBondContact O-N 3.49Å; R339-V342 PolarHBondContact O-N 3.42Å; R339-D369 IonicContact CZ-OD2 3.38Å; R339-D369 IonicContact NE-OD2 2.86Å; R339-D369 IonicContact NH2-OD2 2.69Å; R339-D369 PolarHBondContact NH2-OD2 3.48Å
340D87.6Confident92.7Very high136 Ų13639.2 Ų39.273%0.72718%0.182SC*.THydrogen-bonded Turntrans53.518.8176-58.1-50.5000116V342D340-V342 VanDerWaalsContact C-N 3.3Å
341R89.5Confident92.5Very high123 Ų12339.5 Ų39.546%0.46418%0.184SC..THydrogen-bonded Turntrans70.822.3-176.2-45.3152.5-65.2-176.91.6113.7R339 L398 T527 V528 E529R339-R341 PolarHBondContact O-N 3.49Å; R341-L398 HydrophobicContact CG-CD2 3.84Å; R341-T527 WeakPolarHBondContact CB-O 3.41Å; R341-T527 VanDerWaalsContact CD-O 3.29Å; R341-T527 WeakPolarHBondContact CD-O 3.43Å; R341-V528 HydrophobicContact CB-CG2 4.44Å; R341-V528 WeakPolarHBondContact O-CA 3.3Å; R341-V528 WeakPolarHBondContact O-CG1 3.44Å; R341-E529 PolarHBondContact O-N 3.35Å
342V91.8Very high92.5Very high25 Ų2537.7 Ų37.715%0.15217%0.171CC..EExtended strand (participates in β ladder)trans-106.4133.9177.6-178.40000109.9R339 D340 Y344 E529 L531R339-V342 PolarHBondContact O-N 3.42Å; D340-V342 VanDerWaalsContact C-N 3.3Å; V342-Y344 HydrophobicContact CG1-CD2 4.28Å; V342-Y344 HydrophobicContact CG1-CE2 3.76Å; V342-E529 WeakPolarHBondContact CA-O 3.5Å; V342-L531 HydrophobicContact CG1-CD1 3.58Å; V342-L531 HydrophobicContact CG1-CG 3.93Å
343I93.2Very high92.3Very high0 Ų038.6 Ų38.60%017%0.171CC..EExtended strand (participates in β ladder)trans-120.5128174.3-64162.3000108.3Y336 A338 I348 L394 I396 L505 V528 E529 V530 L531Y336-I343 HydrophobicContact CE1-CG1 4.45Å; Y336-I343 HydrophobicContact CE1-CG2 4.38Å; A338-I343 HydrophobicContact CB-CG1 3.8Å; I343-I348 HydrophobicContact CG2-CD1 4.29Å; I343-I348 HydrophobicContact CG2-CG2 4.09Å; I343-L394 HydrophobicContact CD1-CD1 4.23Å; I343-L394 HydrophobicContact CD1-CD2 3.88Å; I343-L394 HydrophobicContact CG1-CD1 4.43Å; I343-I396 HydrophobicContact CD1-CD1 4.08Å; I343-L505 HydrophobicContact CD1-CD2 3.29Å; I343-V528 HydrophobicContact CD1-CG1 3.78Å; I343-V528 HydrophobicContact CG1-CG1 4.44Å; I343-E529 PolarHBondContact N-O 2.76Å; I343-V530 HydrophobicContact CB-CG2 4.41Å; I343-V530 CarbonylContact O-C 3.59Å; I343-V530 WeakPolarHBondContact O-CA 3.21Å; I343-L531 PolarHBondContact O-N 3.06Å
344Y92.6Very high91.6Very high39 Ų3939.5 Ų39.515%0.15318%0.18CC..EExtended strand (participates in β ladder)trans-94.2111.6175.7-67-88.7000109Y336 V342 E346 E347 I348 F367 T368 L531 L533Y336-Y344 PolarHBondContact OH-N 3.28Å; V342-Y344 HydrophobicContact CG1-CD2 4.28Å; V342-Y344 HydrophobicContact CG1-CE2 3.76Å; Y344-E346 PolarHBondContact O-N 3.38Å; Y344-E347 PolarHBondContact O-N 2.67Å; Y344-I348 WeakPolarHBondContact O-CG2 3.47Å; Y344-I348 PolarHBondContact O-N 3.2Å; Y344-I348 VanDerWaalsContact O-N 3.12Å; Y344-F367 HydrophobicContact CD2-CB 4.28Å; Y344-F367 HydrophobicContact CE2-CB 3.48Å; Y344-F367 VanDerWaalsContact CE2-CB 3.48Å; Y344-F367 HydrophobicContact CE2-CG 4.42Å; Y344-T368 HydrophobicContact CD2-CG2 3.41Å; Y344-T368 VanDerWaalsContact CD2-CG2 3.41Å; Y344-T368 HydrophobicContact CE2-CG2 3.97Å; Y344-T368 HydrophobicContact CG-CG2 4.39Å; Y344-L531 WeakPolarHBondContact CA-O 3.3Å; Y344-L531 HydrophobicContact CD1-CB 4.27Å; Y344-L531 HydrophobicContact CE1-CB 4.39Å; Y344-L531 HydrophobicContact CE1-CD1 4.12Å; Y344-L533 HydrophobicContact CD1-CD2 4.11Å; Y344-L533 HydrophobicContact CD1-CG 4.5Å
345R92.8Very high90.7Very high73 Ų7342.7 Ų42.728%0.27520%0.197SC..Hα-helixtrans-57.9-49.2-169.2-175.3176.1-152.4-70.2-3.2112.3E347 I348 I349 S499 I502 D503 V530 L531R345-E347 VanDerWaalsContact C-N 3.34Å; R345-E347 PolarHBondContact O-N 2.9Å; R345-I348 WeakPolarHBondContact O-CG2 3.41Å; R345-I349 WeakPolarHBondContact O-CB 3.48Å; R345-I349 WeakPolarHBondContact O-CG1 3.33Å; R345-I349 PolarHBondContact O-N 3.39Å; R345-S499 PolarHBondContact NH2-OG 2.95Å; R345-I502 HydrophobicContact CG-CG2 4.15Å; R345-D503 IonicContact CZ-OD1 3.65Å; R345-D503 IonicContact NE-OD1 3.54Å; R345-D503 IonicContact NH2-OD1 2.84Å; R345-D503 PolarHBondContact NH2-OD1 2.05Å; R345-D503 IonicContact NH2-OD2 2.69Å; R345-D503 PolarHBondContact NH2-OD2 3.44Å; R345-V530 HydrophobicContact CB-CG1 4.16Å; R345-L531 PolarHBondContact N-O 3.41Å
346E90.2Very high89.1Confident66 Ų6645.1 Ų45.131%0.30821%0.209SC..Hα-helixtrans-67.2-39.1-176.5-69.565-143.900110.9Y344 I349 D350 G532 L533Y344-E346 PolarHBondContact O-N 3.38Å; E346-I349 PolarHBondContact O-N 2.82Å; E346-D350 WeakPolarHBondContact O-CB 3.09Å; E346-D350 VanDerWaalsContact O-CG 3.28Å; E346-D350 PolarHBondContact O-N 3.5Å; E346-G532 VanDerWaalsContact OE2-CA 3.31Å; E346-G532 WeakPolarHBondContact OE2-CA 3.44Å; E346-L533 HydrophobicContact CB-CD1 4.25Å; E346-L533 HydrophobicContact CG-CB 4.38Å; E346-L533 PolarHBondContact OE2-N 3.26Å
347E89.3Confident87Confident45 Ų4549.1 Ų49.121%0.2123%0.233CC..Hα-helixtrans-67.4-48.1-177.2-165.2-164.6122.200112.2Y344 R345 I349 D350 L351 T368 H370Y344-E347 PolarHBondContact O-N 2.67Å; R345-E347 VanDerWaalsContact C-N 3.34Å; R345-E347 PolarHBondContact O-N 2.9Å; E347-I349 VanDerWaalsContact C-N 3.26Å; E347-I349 PolarHBondContact O-N 2.79Å; E347-D350 PolarHBondContact O-N 3.49Å; E347-L351 WeakPolarHBondContact O-CB 3.49Å; E347-L351 PolarHBondContact O-N 3.04Å; E347-T368 WeakPolarHBondContact OE1-CB 3.47Å; E347-T368 WeakPolarHBondContact OE1-CG2 3.48Å; E347-T368 PolarHBondContact OE1-OG1 3.46Å; E347-T368 WeakPolarHBondContact OE2-CG2 3.38Å; E347-T368 PolarHBondContact OE2-OG1 3.06Å; E347-T368 VanDerWaalsContact OE2-OG1 3.08Å; E347-H370 IonicContact OE1-CD2 2.82Å; E347-H370 PolarHBondContact OE1-CD2 2.8Å; E347-H370 IonicContact OE1-NE2 3.86Å
348I92.5Very high84.8Confident0 Ų051.4 Ų51.40%025%0.25CC..Hα-helixtrans-66.2-31.8178-165.4172.9000111.5Y336 I343 Y344 R345 A352 I392 L394 L498 I502Y336-I348 HydrophobicContact CD1-CD1 3.78Å; Y336-I348 HydrophobicContact CD1-CG1 4.32Å; Y336-I348 HydrophobicContact CD2-CB 3.84Å; Y336-I348 HydrophobicContact CD2-CD1 4.07Å; Y336-I348 HydrophobicContact CD2-CG1 3.67Å; Y336-I348 HydrophobicContact CE1-CD1 4.17Å; Y336-I348 HydrophobicContact CE2-CB 3.7Å; Y336-I348 HydrophobicContact CE2-CD1 4.43Å; Y336-I348 HydrophobicContact CE2-CG1 4.06Å; Y336-I348 HydrophobicContact CG-CB 4.38Å; Y336-I348 HydrophobicContact CG-CD1 3.71Å; Y336-I348 HydrophobicContact CG-CG1 3.8Å; I343-I348 HydrophobicContact CG2-CD1 4.29Å; I343-I348 HydrophobicContact CG2-CG2 4.09Å; Y344-I348 WeakPolarHBondContact O-CG2 3.47Å; Y344-I348 PolarHBondContact O-N 3.2Å; Y344-I348 VanDerWaalsContact O-N 3.12Å; R345-I348 WeakPolarHBondContact O-CG2 3.41Å; I348-A352 WeakPolarHBondContact O-CB 3.49Å; I348-A352 PolarHBondContact O-N 2.94Å; I348-A352 VanDerWaalsContact O-N 3.08Å; I348-I392 HydrophobicContact CD1-CG2 4.22Å; I348-I392 HydrophobicContact CG1-CG2 4.33Å; I348-L394 HydrophobicContact CD1-CD1 4.1Å; I348-L394 HydrophobicContact CD1-CD2 4.49Å; I348-L498 HydrophobicContact CD1-CD1 4.02Å; I348-L498 HydrophobicContact CG1-CD1 4.32Å; I348-L498 HydrophobicContact CG1-CD2 4.29Å; I348-I502 HydrophobicContact CG2-CD1 3.43Å; I348-I502 VanDerWaalsContact CG2-CD1 3.43Å; I348-I502 HydrophobicContact CG2-CG1 4.44Å
349I92.6Very high82.4Confident12 Ų1257.7 Ų57.76%0.06227%0.274CS..Hα-helixtrans-71.2-40.2174.9-68.8-72.5000111.3R345 E346 E347 A352 R353 R495 L498 I502R345-I349 WeakPolarHBondContact O-CB 3.48Å; R345-I349 WeakPolarHBondContact O-CG1 3.33Å; R345-I349 PolarHBondContact O-N 3.39Å; E346-I349 PolarHBondContact O-N 2.82Å; E347-I349 VanDerWaalsContact C-N 3.26Å; E347-I349 PolarHBondContact O-N 2.79Å; I349-A352 WeakPolarHBondContact O-CB 3.4Å; I349-A352 PolarHBondContact O-N 2.8Å; I349-R353 WeakPolarHBondContact O-CG 3.27Å; I349-R353 PolarHBondContact O-N 3.5Å; I349-R495 HydrophobicContact CD1-CG 4.29Å; I349-L498 HydrophobicContact CD1-CD2 4.01Å; I349-L498 HydrophobicContact CD1-CG 4.19Å; I349-I502 HydrophobicContact CD1-CD1 4.1Å; I349-I502 HydrophobicContact CG1-CD1 4.21Å
350D89.3Confident80.2Confident51 Ų5160.4 Ų60.427%0.27329%0.291SS..Hα-helixtrans-66.9-41.7175.7-76.3-17.3000111.2E346 E347 A352 R353 G354 L355E346-D350 WeakPolarHBondContact O-CB 3.09Å; E346-D350 VanDerWaalsContact O-CG 3.28Å; E346-D350 PolarHBondContact O-N 3.5Å; E347-D350 PolarHBondContact O-N 3.49Å; D350-A352 VanDerWaalsContact C-N 3.28Å; D350-A352 PolarHBondContact O-N 2.75Å; D350-R353 CarbonylContact O-C 3.54Å; D350-R353 WeakPolarHBondContact O-CA 3.25Å; D350-R353 WeakPolarHBondContact O-CB 3.41Å; D350-R353 PolarHBondContact O-N 3.18Å; D350-R353 IonicContact OD1-CZ 3.89Å; D350-R353 IonicContact OD1-NH1 3.74Å; D350-R353 PolarHBondContact OD1-NH1 3.01Å; D350-G354 PolarHBondContact O-N 3.47Å; D350-L355 CarbonylContact C-O 3.59Å; D350-L355 HydrophobicContact CB-CB 4.15Å; D350-L355 WeakPolarHBondContact O-CB 3.29Å; D350-L355 PolarHBondContact O-N 3.21Å
351L90.1Very high78Confident6 Ų663.9 Ų63.93%0.03130%0.295CS..Hα-helixtrans-56-42.8170.9-177.766.4000111.6Q334 Y336 E347 R353 G354 H370 A372 T390 I392Q334-L351 HydrophobicContact CB-CD1 4.23Å; Q334-L351 HydrophobicContact CB-CD2 4.05Å; Q334-L351 HydrophobicContact CB-CG 4.02Å; Q334-L351 HydrophobicContact CG-CD1 4.09Å; Q334-L351 HydrophobicContact CG-CG 4.19Å; Y336-L351 HydrophobicContact CD2-CD2 3.96Å; E347-L351 WeakPolarHBondContact O-CB 3.49Å; E347-L351 PolarHBondContact O-N 3.04Å; L351-R353 VanDerWaalsContact C-N 3.28Å; L351-R353 PolarHBondContact O-N 3.48Å; L351-G354 WeakPolarHBondContact O-CA 3.37Å; L351-G354 PolarHBondContact O-N 3.08Å; L351-H370 HydrophobicContact CD2-CB 3.63Å; L351-A372 HydrophobicContact CD1-CB 4.08Å; L351-T390 PolarHBondContact O-OG1 3.15Å; L351-I392 HydrophobicContact CD2-CD1 4.11Å; L351-I392 HydrophobicContact CG-CD1 4.07Å
352A92.1Very high75.5Confident6 Ų665 Ų655%0.0531%0.306CS..Hα-helixtrans-67.5-26.1177.200000113.6I348 I349 D350 G354 P389 T390 I392 L498I348-A352 WeakPolarHBondContact O-CB 3.49Å; I348-A352 PolarHBondContact O-N 2.94Å; I348-A352 VanDerWaalsContact O-N 3.08Å; I349-A352 WeakPolarHBondContact O-CB 3.4Å; I349-A352 PolarHBondContact O-N 2.8Å; D350-A352 VanDerWaalsContact C-N 3.28Å; D350-A352 PolarHBondContact O-N 2.75Å; A352-G354 PolarHBondContact O-N 3.2Å; A352-P389 WeakPolarHBondContact O-CA 3.27Å; A352-T390 PolarHBondContact O-N 2.74Å; A352-I392 HydrophobicContact CB-CD1 3.98Å; A352-I392 HydrophobicContact CB-CG1 3.76Å; A352-L498 HydrophobicContact CB-CD2 3.53Å
353R89.2Confident73Confident109 Ų10969.9 Ų69.941%0.41134%0.338SS..THydrogen-bonded Turntrans-76.5-5.6170.8-67.5167.1175.9162.6-4.8112.6I349 D350 L351 L355I349-R353 WeakPolarHBondContact O-CG 3.27Å; I349-R353 PolarHBondContact O-N 3.5Å; D350-R353 CarbonylContact O-C 3.54Å; D350-R353 WeakPolarHBondContact O-CA 3.25Å; D350-R353 WeakPolarHBondContact O-CB 3.41Å; D350-R353 PolarHBondContact O-N 3.18Å; D350-R353 IonicContact OD1-CZ 3.89Å; D350-R353 IonicContact OD1-NH1 3.74Å; D350-R353 PolarHBondContact OD1-NH1 3.01Å; L351-R353 VanDerWaalsContact C-N 3.28Å; L351-R353 PolarHBondContact O-N 3.48Å; R353-L355 HydrophobicContact CB-CB 4.4Å; R353-L355 HydrophobicContact CB-CD1 3.98Å; R353-L355 HydrophobicContact CB-CG 3.83Å; R353-L355 PolarHBondContact O-N 3.13Å
354G82.2Confident70.7Confident20 Ų2075.8 Ų75.821%0.20636%0.364CS..THydrogen-bonded Turntrans75.11.6-168.600000113D350 L351 A352 H356 F387D350-G354 PolarHBondContact O-N 3.47Å; L351-G354 WeakPolarHBondContact O-CA 3.37Å; L351-G354 PolarHBondContact O-N 3.08Å; A352-G354 PolarHBondContact O-N 3.2Å; G354-H356 PolarHBondContact O-N 3.03Å; G354-H356 VanDerWaalsContact O-N 3.1Å; G354-F387 VanDerWaalsContact C-CD1 3.46Å; G354-F387 WeakPolarHBondContact O-CD1 3.45Å; G354-F387 WeakPolarHBondContact O-CE1 3.38Å
355L75.6Confident68.6Low74 Ų7480.1 Ų80.139%0.38739%0.388SS..  trans-74.2103.2177.6-62.6174.8000107.8D350 R353 F387D350-L355 CarbonylContact C-O 3.59Å; D350-L355 HydrophobicContact CB-CB 4.15Å; D350-L355 WeakPolarHBondContact O-CB 3.29Å; D350-L355 PolarHBondContact O-N 3.21Å; R353-L355 HydrophobicContact CB-CB 4.4Å; R353-L355 HydrophobicContact CB-CD1 3.98Å; R353-L355 HydrophobicContact CB-CG 3.83Å; R353-L355 PolarHBondContact O-N 3.13Å; L355-F387 HydrophobicContact CD2-CD1 4.12Å; L355-F387 HydrophobicContact CD2-CE1 4.15Å; L355-F387 HydrophobicContact CD2-CG 4.31Å; L355-F387 HydrophobicContact CD2-CZ 4.41Å
356H65.3Low66.7Low51 Ų5182.7 Ų82.724%0.23640%0.399CS..  trans-110.4102.1167.9-176.6-92.1000108.3G354 S358 H370 A372 L373G354-H356 PolarHBondContact O-N 3.03Å; G354-H356 VanDerWaalsContact O-N 3.1Å; H356-S358 VanDerWaalsContact C-N 3.32Å; H356-S358 PolarHBondContact O-N 2.95Å; H356-H370 AromaticContact CD2-CE1 3.22Å; H356-H370 PolarHBondContact CD2-CE1 2.9Å; H356-H370 AromaticContact CD2-NE2 3.86Å; H356-H370 AromaticContact NE2-CE1 3.2Å; H356-H370 PolarHBondContact NE2-CE1 3.32Å; H356-H370 AromaticContact NE2-NE2 3.97Å; H356-A372 HydrophobicContact CB-CB 4.05Å; H356-A372 WeakPolarHBondContact CD2-CB 3.35Å; H356-L373 WeakPolarHBondContact NE2-CD2 3.21Å
357T51.2Low65.5Low84 Ų8485.3 Ų85.352%0.51541%0.409SS..  trans-67.897.816648.20000107.4Y359T357-Y359 HydrophobicContact CG2-CE2 4.46Å; T357-Y359 PolarHBondContact O-N 3.39Å; T357-Y359 WeakPolarHBondContact OG1-CD2 3.28Å; T357-Y359 WeakPolarHBondContact OG1-CE2 3.37Å
358S49.6Very low64.6Low53 Ų5383.2 Ų83.237%0.37140%0.4SS..  trans-58.990.1150.232.80000105.6H356 Q360H356-S358 VanDerWaalsContact C-N 3.32Å; H356-S358 PolarHBondContact O-N 2.95Å; S358-Q360 PolarHBondContact O-N 2.78Å
359Y44.8Very low64.3Low133 Ų13383.3 Ų83.352%0.52240%0.4SS..  trans-63.784.8164.9-79-81.6000105.8T357 Y361T357-Y359 HydrophobicContact CG2-CE2 4.46Å; T357-Y359 PolarHBondContact O-N 3.39Å; T357-Y359 WeakPolarHBondContact OG1-CD2 3.28Å; T357-Y359 WeakPolarHBondContact OG1-CE2 3.37Å; Y359-Y361 PolarHBondContact O-N 3.19Å; Y359-Y361 VanDerWaalsContact O-N 3.1Å
360Q41.9Very low64.2Low163 Ų16383.3 Ų83.376%0.76240%0.4SS*.  trans-68.1-1.9180-81.9180-33.700112.4S358S358-Q360 PolarHBondContact O-N 2.78Å
361Y41.9Very low64.3Low208 Ų20880.9 Ų80.982%0.81639%0.387SS*.SBendtrans-129.7112.3178.3-89.1-97.1000109.8Y359Y359-Y361 PolarHBondContact O-N 3.19Å; Y359-Y361 VanDerWaalsContact O-N 3.1Å
362Q37.4Very low64Low148 Ų14881.3 Ų81.369%0.69239%0.391SS*.SBendtrans87.6131.5179.4-54.9-169.7-1300116.2K364Q362-K364 PolarHBondContact O-N 3.15Å
363P39.1Very low63.7Low127 Ų12783 Ų8383%0.82540%0.4SS*.  trans-71.672.9165.933-31.2000107.5I365P363-I365 PolarHBondContact O-N 3.13Å; P363-I365 VanDerWaalsContact O-N 3.14Å
364K45.9Very low63.5Low124 Ų12482.1 Ų82.154%0.53940%0.397SS..  trans-61121.2162.1-86.4-177.4177.5175.90105.2Q362 Y366Q362-K364 PolarHBondContact O-N 3.15Å; K364-Y366 PolarHBondContact O-N 2.95Å
365I46.7Very low63.5Low129 Ų12984.6 Ų84.666%0.66240%0.4SS*.  trans-37.8108.2167.3-63.2164.5000106.5P363 F367P363-I365 PolarHBondContact O-N 3.13Å; P363-I365 VanDerWaalsContact O-N 3.14Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 HydrophobicContact CG2-CD1 4.31Å; I365-F367 HydrophobicContact CG2-CE1 4.29Å; I365-F367 VanDerWaalsContact O-CD2 3.29Å; I365-F367 WeakPolarHBondContact O-CD2 3.49Å; I365-F367 PolarHBondContact O-N 2.72Å
366Y54.6Low63.2Low127 Ų12783.2 Ų83.250%0.49840%0.396SS..  trans-63.4106.7171.7-65.2-75.9000104.9K364 T368 L373K364-Y366 PolarHBondContact O-N 2.95Å; Y366-T368 WeakPolarHBondContact CB-O 3.03Å; Y366-T368 PolarHBondContact O-N 2.91Å; Y366-T368 VanDerWaalsContact O-N 3.11Å; Y366-L373 HydrophobicContact CD1-CD1 3.66Å; Y366-L373 HydrophobicContact CD1-CD2 3.64Å; Y366-L373 HydrophobicContact CD1-CG 4.31Å; Y366-L373 HydrophobicContact CD2-CD1 4.18Å; Y366-L373 HydrophobicContact CE1-CD1 4.1Å; Y366-L373 HydrophobicContact CE1-CD2 3.21Å; Y366-L373 HydrophobicContact CE1-CG 4.29Å; Y366-L373 HydrophobicContact CE2-CD2 4.33Å; Y366-L373 HydrophobicContact CG-CD1 3.71Å; Y366-L373 HydrophobicContact CG-CD2 4.37Å
367F63.7Low62.8Low121 Ų12188.9 Ų88.953%0.53142%0.423SS..SBendtrans-68-5.3178-65-77.6000111.3Y344 I365Y344-F367 HydrophobicContact CD2-CB 4.28Å; Y344-F367 HydrophobicContact CE2-CB 3.48Å; Y344-F367 VanDerWaalsContact CE2-CB 3.48Å; Y344-F367 HydrophobicContact CE2-CG 4.42Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 HydrophobicContact CG2-CD1 4.31Å; I365-F367 HydrophobicContact CG2-CE1 4.29Å; I365-F367 VanDerWaalsContact O-CD2 3.29Å; I365-F367 WeakPolarHBondContact O-CD2 3.49Å; I365-F367 PolarHBondContact O-N 2.72Å
368T71.4Confident63Low2 Ų289.6 Ų89.61%0.01243%0.431CS..SBendtrans-145.2167.2-168.555.20000110.1Y336 Y344 E347 Y366Y336-T368 HydrophobicContact CE2-CG2 4.23Å; Y336-T368 WeakPolarHBondContact OH-CG2 3.33Å; Y344-T368 HydrophobicContact CD2-CG2 3.41Å; Y344-T368 VanDerWaalsContact CD2-CG2 3.41Å; Y344-T368 HydrophobicContact CE2-CG2 3.97Å; Y344-T368 HydrophobicContact CG-CG2 4.39Å; E347-T368 WeakPolarHBondContact OE1-CB 3.47Å; E347-T368 WeakPolarHBondContact OE1-CG2 3.48Å; E347-T368 PolarHBondContact OE1-OG1 3.46Å; E347-T368 WeakPolarHBondContact OE2-CG2 3.38Å; E347-T368 PolarHBondContact OE2-OG1 3.06Å; E347-T368 VanDerWaalsContact OE2-OG1 3.08Å; Y366-T368 WeakPolarHBondContact CB-O 3.03Å; Y366-T368 PolarHBondContact O-N 2.91Å; Y366-T368 VanDerWaalsContact O-N 3.11Å
369D86.2Confident63Low2 Ų291.1 Ų91.11%0.01144%0.436CS..EExtended strand (participates in β ladder)trans-133121178.8-162.8-25.9000107.1L317 L337 R339 Y374L317-D369 HydrophobicContact CD1-CB 3.96Å; L317-D369 WeakPolarHBondContact CD1-O 3.36Å; L317-D369 WeakPolarHBondContact CD1-OD1 3.27Å; L317-D369 VanDerWaalsContact CD2-OD1 3.29Å; L317-D369 WeakPolarHBondContact CD2-OD1 3.48Å; L337-D369 HydrophobicContact CB-CB 4.13Å; L337-D369 WeakPolarHBondContact CB-O 3.45Å; L337-D369 HydrophobicContact CD2-CB 4.28Å; L337-D369 HydrophobicContact CG-CB 4.4Å; L337-D369 PolarHBondContact N-O 2.77Å; R339-D369 IonicContact CZ-OD2 3.38Å; R339-D369 IonicContact NE-OD2 2.86Å; R339-D369 IonicContact NH2-OD2 2.69Å; R339-D369 PolarHBondContact NH2-OD2 3.48Å; D369-Y374 WeakPolarHBondContact OD1-CE2 3.49Å
370H90.6Very high63.2Low11 Ų1190.3 Ų90.35%0.05144%0.437CS..EExtended strand (participates in β ladder)trans-143.3158.2175.761.848.5000112.7V335 Y336 E347 L351 H356 A372 L373V335-H370 WeakPolarHBondContact O-CA 3.32Å; V335-H370 WeakPolarHBondContact O-CB 3.35Å; Y336-H370 HydrophobicContact CD2-CB 4.32Å; E347-H370 IonicContact OE1-CD2 2.82Å; E347-H370 PolarHBondContact OE1-CD2 2.8Å; E347-H370 IonicContact OE1-NE2 3.86Å; L351-H370 HydrophobicContact CD2-CB 3.63Å; H356-H370 AromaticContact CD2-CE1 3.22Å; H356-H370 PolarHBondContact CD2-CE1 2.9Å; H356-H370 AromaticContact CD2-NE2 3.86Å; H356-H370 AromaticContact NE2-CE1 3.2Å; H356-H370 PolarHBondContact NE2-CE1 3.32Å; H356-H370 AromaticContact NE2-NE2 3.97Å; H370-A372 PolarHBondContact ND1-N 3.45Å; H370-A372 PolarHBondContact O-N 2.89Å; H370-L373 VanDerWaalsContact CE1-CG 3.43Å; H370-L373 WeakPolarHBondContact CE1-CG 3.29Å; H370-L373 PolarHBondContact O-N 2.93Å
371T90.2Very high63.3Low0 Ų087.2 Ų87.20%043%0.429CS..G310 helixtrans-49-36.5-175.629.30000114.7L317 M320 A321 Q334 V335 L373 Y374 R375L317-T371 HydrophobicContact CG-CG2 4.43Å; L317-T371 VanDerWaalsContact O-CG2 3.27Å; L317-T371 WeakPolarHBondContact O-CG2 3.24Å; M320-T371 HydrophobicContact CB-CG2 3.79Å; A321-T371 HydrophobicContact CB-CG2 4.19Å; A321-T371 WeakPolarHBondContact CB-O 3.3Å; Q334-T371 WeakPolarHBondContact CA-OG1 3.23Å; Q334-T371 PolarHBondContact OE1-OG1 3.49Å; V335-T371 HydrophobicContact CB-CG2 3.8Å; V335-T371 HydrophobicContact CG2-CG2 3.94Å; V335-T371 PolarHBondContact N-OG1 3.49Å; V335-T371 PolarHBondContact O-N 2.73Å; V335-T371 PolarHBondContact O-OG1 2.82Å; T371-L373 VanDerWaalsContact C-N 3.26Å; T371-L373 PolarHBondContact O-N 2.87Å; T371-Y374 PolarHBondContact O-N 3.24Å; T371-Y374 VanDerWaalsContact O-N 3.1Å; T371-R375 PolarHBondContact O-N 3.47Å
372A84.8Confident63.2Low15 Ų1585.3 Ų85.312%0.12443%0.433CS..G310 helixtrans-65-23.3-178.500000114.5L351 H356 H370 Y374L351-A372 HydrophobicContact CD1-CB 4.08Å; H356-A372 HydrophobicContact CB-CB 4.05Å; H356-A372 WeakPolarHBondContact CD2-CB 3.35Å; H370-A372 PolarHBondContact ND1-N 3.45Å; H370-A372 PolarHBondContact O-N 2.89Å; A372-Y374 VanDerWaalsContact C-N 3.25Å; A372-Y374 PolarHBondContact O-N 2.88Å
373L85.3Confident63.5Low43 Ų4384.4 Ų84.423%0.22543%0.433CS..G310 helixtrans-71.6-20.9174.2-61.6179.6000113H356 Y366 H370 T371H356-L373 WeakPolarHBondContact NE2-CD2 3.21Å; Y366-L373 HydrophobicContact CD1-CD1 3.66Å; Y366-L373 HydrophobicContact CD1-CD2 3.64Å; Y366-L373 HydrophobicContact CD1-CG 4.31Å; Y366-L373 HydrophobicContact CD2-CD1 4.18Å; Y366-L373 HydrophobicContact CE1-CD1 4.1Å; Y366-L373 HydrophobicContact CE1-CD2 3.21Å; Y366-L373 HydrophobicContact CE1-CG 4.29Å; Y366-L373 HydrophobicContact CE2-CD2 4.33Å; Y366-L373 HydrophobicContact CG-CD1 3.71Å; Y366-L373 HydrophobicContact CG-CD2 4.37Å; H370-L373 VanDerWaalsContact CE1-CG 3.43Å; H370-L373 WeakPolarHBondContact CE1-CG 3.29Å; H370-L373 PolarHBondContact O-N 2.93Å; T371-L373 VanDerWaalsContact C-N 3.26Å; T371-L373 PolarHBondContact O-N 2.87Å
374Y85.3Confident63.7Low90 Ų9083.2 Ų83.235%0.35343%0.428SS..G310 helixtrans-111.22.6-171.8-65.9-94000113.1L317 R318 D369 T371 A372L317-Y374 HydrophobicContact CD2-CD2 3.3Å; L317-Y374 HydrophobicContact CD2-CE2 3.59Å; L317-Y374 HydrophobicContact CD2-CG 4Å; R318-Y374 HydrophobicContact CG-CD1 3.74Å; R318-Y374 HydrophobicContact CG-CE1 3.88Å; R318-Y374 HydrophobicContact CG-CG 4.15Å; D369-Y374 WeakPolarHBondContact OD1-CE2 3.49Å; T371-Y374 PolarHBondContact O-N 3.24Å; T371-Y374 VanDerWaalsContact O-N 3.1Å; A372-Y374 VanDerWaalsContact C-N 3.25Å; A372-Y374 PolarHBondContact O-N 2.88Å
375R82.9Confident63.7Low71 Ų7184.8 Ų84.827%0.26844%0.436SS..SBendtrans-77.6146.6170.7-73.1-176.5-176.7158.35.5109.9A321 S324 T371A321-R375 HydrophobicContact CB-CG 4.17Å; S324-R375 PolarHBondContact OG-NE 3.31Å; T371-R375 PolarHBondContact O-N 3.47Å
376S68.5Low63.7Low45 Ų4583 Ų8332%0.31544%0.435SS..  trans-67.1143.818079.60000110.6S378 D379S376-S378 PolarHBondContact O-N 2.91Å; S376-S378 PolarHBondContact OG-OG 3.37Å; S376-D379 PolarHBondContact O-N 3.47Å; S376-D379 PolarHBondContact OG-N 3.36Å; S376-D379 PolarHBondContact OG-OD2 2.95Å
377Q58.1Low63.8Low170 Ų17081.4 Ų81.479%0.79443%0.431SS*.G310 helixtrans-65.5-25.9175.1-69-177.62.400111.9D379 Q380Q377-D379 PolarHBondContact O-N 2.84Å; Q377-Q380 WeakPolarHBondContact O-CB 3.32Å; Q377-Q380 PolarHBondContact O-N 3.38Å; Q377-Q380 VanDerWaalsContact O-N 3.07Å
378S53.5Low64.1Low99 Ų9983 Ų8369%0.69244%0.438SS*.G310 helixtrans-65-20.8175.545.30000113.9S376 Q380S376-S378 PolarHBondContact O-N 2.91Å; S376-S378 PolarHBondContact OG-OG 3.37Å; S378-Q380 VanDerWaalsContact C-N 3.25Å
379D50.6Low64.2Low86 Ų8688.2 Ų88.246%0.4647%0.472SS..G310 helixtrans-80.2-6.3174.7-63.3-41.3000112.6S376 Q377 T381S376-D379 PolarHBondContact O-N 3.47Å; S376-D379 PolarHBondContact OG-N 3.36Å; S376-D379 PolarHBondContact OG-OD2 2.95Å; Q377-D379 PolarHBondContact O-N 2.84Å; D379-T381 VanDerWaalsContact C-N 3.3Å; D379-T381 PolarHBondContact O-N 3.11Å
380Q48.5Very low64.3Low116 Ų11689 Ų8954%0.54248%0.476SS..  trans-8772169.5-59.7-169.813.100108.9Q377 S378 N382Q377-Q380 WeakPolarHBondContact O-CB 3.32Å; Q377-Q380 PolarHBondContact O-N 3.38Å; Q377-Q380 VanDerWaalsContact O-N 3.07Å; S378-Q380 VanDerWaalsContact C-N 3.25Å; Q380-N382 PolarHBondContact O-N 2.83Å
381T43.9Very low64.6Low97 Ų9788.6 Ų88.660%0.59548%0.475SS*.  trans-59.5139.2162.1580000107.6D379 D383D379-T381 VanDerWaalsContact C-N 3.3Å; D379-T381 PolarHBondContact O-N 3.11Å; T381-D383 PolarHBondContact O-N 2.62Å; T381-D383 PolarHBondContact OG1-OD2 3.44Å; T381-D383 VanDerWaalsContact OG1-OD2 3.14Å
382N39.8Very low65Low169 Ų16988.7 Ų88.790%0.90448%0.476SS*.  trans-63.622.1177.1-81.2-31.8000113.5Q380 S384Q380-N382 PolarHBondContact O-N 2.83Å; N382-S384 VanDerWaalsContact C-N 3.35Å; N382-S384 PolarHBondContact O-N 3.48Å
383D43.3Very low65.7Low129 Ų12988 Ų8869%0.6947%0.47SS*.  trans-72.292.9174.6-69.7-34.5000109.1T381 H385T381-D383 PolarHBondContact O-N 2.62Å; T381-D383 PolarHBondContact OG1-OD2 3.44Å; T381-D383 VanDerWaalsContact OG1-OD2 3.14Å; D383-H385 PolarHBondContact O-N 2.82Å; D383-H385 VanDerWaalsContact O-N 3.14Å
384S43.4Very low66.3Low102 Ų10286 Ų8671%0.71346%0.459SS*.  trans-17.8106.3161.1390000115.5N382 S386N382-S384 VanDerWaalsContact C-N 3.35Å; N382-S384 PolarHBondContact O-N 3.48Å; S384-S386 PolarHBondContact O-N 2.94Å; S384-S386 VanDerWaalsContact O-N 3.07Å
385H47.5Very low66.9Low157 Ų15781.7 Ų81.773%0.72744%0.442SS*.  trans61.618.6134.1-82.1-94.6000121.4D383 F387D383-H385 PolarHBondContact O-N 2.82Å; D383-H385 VanDerWaalsContact O-N 3.14Å; H385-F387 HydrophobicContact CB-CD2 4.24Å; H385-F387 HydrophobicContact CB-CE2 4.31Å; H385-F387 AromaticContact CE1-CE2 3.41Å; H385-F387 VanDerWaalsContact CE1-CE2 3.41Å; H385-F387 WeakPolarHBondContact CE1-CE2 3.29Å; H385-F387 AromaticContact CG-CE2 3.68Å; H385-F387 AromaticContact ND1-CD2 3.46Å; H385-F387 WeakPolarHBondContact ND1-CD2 3.33Å; H385-F387 AromaticContact ND1-CE2 3.15Å; H385-F387 WeakPolarHBondContact ND1-CE2 3.49Å; H385-F387 PolarHBondContact O-N 3.42Å
386S46.3Very low67.6Low91 Ų9178.3 Ų78.364%0.63643%0.43SS*.  trans-76.566.2159.1154.50000110S384 K388S384-S386 PolarHBondContact O-N 2.94Å; S384-S386 VanDerWaalsContact O-N 3.07Å; S386-K388 VanDerWaalsContact C-N 3.31Å; S386-K388 PolarHBondContact O-N 3.25Å
387F56.5Low68.9Low93 Ų9377.2 Ų77.241%0.40842%0.422SS..  trans-66.689.7169.6-76.1-81000108.7G354 L355 H385G354-F387 VanDerWaalsContact C-CD1 3.46Å; G354-F387 WeakPolarHBondContact O-CD1 3.45Å; G354-F387 WeakPolarHBondContact O-CE1 3.38Å; L355-F387 HydrophobicContact CD2-CD1 4.12Å; L355-F387 HydrophobicContact CD2-CE1 4.15Å; L355-F387 HydrophobicContact CD2-CG 4.31Å; L355-F387 HydrophobicContact CD2-CZ 4.41Å; H385-F387 HydrophobicContact CB-CD2 4.24Å; H385-F387 HydrophobicContact CB-CE2 4.31Å; H385-F387 AromaticContact CE1-CE2 3.41Å; H385-F387 VanDerWaalsContact CE1-CE2 3.41Å; H385-F387 WeakPolarHBondContact CE1-CE2 3.29Å; H385-F387 AromaticContact CG-CE2 3.68Å; H385-F387 AromaticContact ND1-CD2 3.46Å; H385-F387 WeakPolarHBondContact ND1-CD2 3.33Å; H385-F387 AromaticContact ND1-CE2 3.15Å; H385-F387 WeakPolarHBondContact ND1-CE2 3.49Å; H385-F387 PolarHBondContact O-N 3.42Å
388K69.6Low70.7Confident154 Ų15469.6 Ų69.667%0.6739%0.386SS*.  trans-78.9126.4175.3-70.7-175.8-178.3177.80108.3S386 T390S386-K388 VanDerWaalsContact C-N 3.31Å; S386-K388 PolarHBondContact O-N 3.25Å; K388-T390 PolarHBondContact O-N 3.03Å
389P74.4Confident72.7Confident112 Ų11269.9 Ų69.973%0.72738%0.378SS*.  trans-50.9134.5171.4-26.334.2000110.6A352A352-P389 WeakPolarHBondContact O-CA 3.27Å
390T88.1Confident74.8Confident18 Ų1865.8 Ų65.811%0.1136%0.356CS..  trans-113145.2-179.453.10000110.6Q334 L351 A352 K388Q334-T390 HydrophobicContact CG-CG2 4.2Å; Q334-T390 WeakPolarHBondContact CG-OG1 3.22Å; L351-T390 PolarHBondContact O-OG1 3.15Å; A352-T390 PolarHBondContact O-N 2.74Å; K388-T390 PolarHBondContact O-N 3.03Å
391A97.1Very high76.8Confident3 Ų361 Ų613%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-67.7151170.200000110.2Q332 V333 Q334 Y491 C492Q332-A391 PolarHBondContact O-N 3.37Å; V333-A391 CarbonylContact C-O 3.39Å; V333-A391 WeakPolarHBondContact CA-O 3.18Å; V333-A391 HydrophobicContact CG2-CB 4.33Å; Q334-A391 PolarHBondContact N-O 2.91Å; A391-Y491 HydrophobicContact CB-CE2 3.63Å; A391-C492 CarbonylContact C-O 3.36Å; A391-C492 WeakPolarHBondContact CA-O 3.28Å; A391-C492 WeakPolarHBondContact CB-O 3.47Å
392I97.9Very high79Confident2 Ų266.4 Ų66.41%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-111.9130.3177.9-61.2-53000109.9Q334 I348 L351 A352 L394 Y491 C492 L498Q334-I392 HydrophobicContact CB-CD1 3.75Å; Q334-I392 HydrophobicContact CG-CD1 4.38Å; Q334-I392 CarbonylContact O-C 3.49Å; Q334-I392 WeakPolarHBondContact O-CA 3.08Å; I348-I392 HydrophobicContact CD1-CG2 4.22Å; I348-I392 HydrophobicContact CG1-CG2 4.33Å; L351-I392 HydrophobicContact CD2-CD1 4.11Å; L351-I392 HydrophobicContact CG-CD1 4.07Å; A352-I392 HydrophobicContact CB-CD1 3.98Å; A352-I392 HydrophobicContact CB-CG1 3.76Å; I392-L394 HydrophobicContact CG2-CB 4.33Å; I392-Y491 WeakPolarHBondContact O-CA 3.33Å; I392-C492 PolarHBondContact N-O 3.45Å; I392-C492 PolarHBondContact O-N 2.95Å; I392-L498 HydrophobicContact CB-CD1 4.38Å; I392-L498 HydrophobicContact CB-CD2 4.46Å; I392-L498 HydrophobicContact CG1-CD2 3.76Å; I392-L498 HydrophobicContact CG2-CD1 4.34Å
393L98.6Very high81.5Confident0 Ų061 Ų610%034%0.338CS..EExtended strand (participates in β ladder)trans-100.5104.2157.7174.657.6000108.3L247 L248 A251 V333 Q334 V335 Y336 L395 V424 F490L247-L393 HydrophobicContact CD2-CD1 4.47Å; L248-L393 HydrophobicContact CD1-CD2 3.54Å; A251-L393 HydrophobicContact CB-CD1 3.87Å; A251-L393 HydrophobicContact CB-CD2 4.01Å; A251-L393 HydrophobicContact CB-CG 4.42Å; V333-L393 HydrophobicContact CG1-CB 4.07Å; Q334-L393 PolarHBondContact O-N 3.43Å; V335-L393 WeakPolarHBondContact CA-O 3.44Å; V335-L393 HydrophobicContact CG2-CB 4.46Å; V335-L393 HydrophobicContact CG2-CD2 4.31Å; Y336-L393 PolarHBondContact N-O 3.22Å; L393-L395 HydrophobicContact CD1-CD2 3.98Å; L393-L395 HydrophobicContact CD2-CD2 4.27Å; L393-L395 HydrophobicContact CG-CD2 3.96Å; L393-L395 HydrophobicContact CG-CG 4.24Å; L393-V424 HydrophobicContact CD1-CG2 3.86Å; L393-F490 CarbonylContact C-O 3.49Å; L393-F490 WeakPolarHBondContact CA-O 3.4Å; L393-F490 WeakPolarHBondContact CD1-O 3.29Å
394L98.3Very high83.8Confident1 Ų160.4 Ų60.41%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-86.3120.1174.8170.860.2000109.5Y336 A338 I343 I348 I392 I396 G489 F490 L501 L505Y336-L394 HydrophobicContact CD1-CD1 3.53Å; Y336-L394 HydrophobicContact CE1-CD1 4.16Å; Y336-L394 HydrophobicContact CG-CD1 4.45Å; Y336-L394 WeakPolarHBondContact O-CA 3.22Å; A338-L394 HydrophobicContact CB-CD1 4.29Å; I343-L394 HydrophobicContact CD1-CD1 4.23Å; I343-L394 HydrophobicContact CD1-CD2 3.88Å; I343-L394 HydrophobicContact CG1-CD1 4.43Å; I348-L394 HydrophobicContact CD1-CD1 4.1Å; I348-L394 HydrophobicContact CD1-CD2 4.49Å; I392-L394 HydrophobicContact CG2-CB 4.33Å; L394-I396 HydrophobicContact CD1-CG1 4.03Å; L394-I396 HydrophobicContact CD2-CD1 4.07Å; L394-I396 HydrophobicContact CD2-CG1 4.38Å; L394-I396 HydrophobicContact CG-CD1 4.17Å; L394-I396 HydrophobicContact CG-CG1 3.94Å; L394-G489 CarbonylContact O-C 3.4Å; L394-G489 WeakPolarHBondContact O-CA 3.29Å; L394-F490 HydrophobicContact CB-CB 4.33Å; L394-F490 HydrophobicContact CD2-CD2 4.46Å; L394-F490 PolarHBondContact N-O 2.72Å; L394-F490 PolarHBondContact O-N 3.38Å; L394-L501 HydrophobicContact CD2-CD2 4.09Å; L394-L505 HydrophobicContact CD2-CD2 4.21Å
395L98.5Very high86.3Confident0 Ų062.9 Ų62.90%033%0.328CS..EExtended strand (participates in β ladder)trans-109.4129.9174.7-59.7-178.7000109.9L247 C313 I316 V335 Y336 L337 A338 L393 V488L247-L395 HydrophobicContact CD2-CD2 3.5Å; L247-L395 VanDerWaalsContact CD2-CD2 3.5Å; C313-L395 HydrophobicContact CB-CB 4.31Å; C313-L395 HydrophobicContact CB-CD1 3.92Å; I316-L395 HydrophobicContact CB-CD1 4.19Å; I316-L395 HydrophobicContact CD1-CD1 4.44Å; I316-L395 HydrophobicContact CG2-CD1 3.87Å; V335-L395 HydrophobicContact CG1-CD1 3.62Å; V335-L395 HydrophobicContact CG1-CG 3.98Å; Y336-L395 PolarHBondContact O-N 3.2Å; L337-L395 HydrophobicContact CD1-CB 4.08Å; A338-L395 PolarHBondContact N-O 3.25Å; L393-L395 HydrophobicContact CD1-CD2 3.98Å; L393-L395 HydrophobicContact CD2-CD2 4.27Å; L393-L395 HydrophobicContact CG-CD2 3.96Å; L393-L395 HydrophobicContact CG-CG 4.24Å; L395-V488 WeakPolarHBondContact CA-O 3.35Å
396I97.3Very high88.6Confident0 Ų055.8 Ų55.80%030%0.295CS..EExtended strand (participates in β ladder)trans-128.1102.8179.6-43.4176.9000108.7A338 I343 L394 L398 A487 V488 F490 L505 V528A338-I396 HydrophobicContact CB-CB 4.45Å; A338-I396 HydrophobicContact CB-CG1 4.11Å; A338-I396 HydrophobicContact CB-CG2 4.21Å; I343-I396 HydrophobicContact CD1-CD1 4.08Å; L394-I396 HydrophobicContact CD1-CG1 4.03Å; L394-I396 HydrophobicContact CD2-CD1 4.07Å; L394-I396 HydrophobicContact CD2-CG1 4.38Å; L394-I396 HydrophobicContact CG-CD1 4.17Å; L394-I396 HydrophobicContact CG-CG1 3.94Å; I396-L398 HydrophobicContact CG2-CD2 3.7Å; I396-L398 HydrophobicContact CG2-CG 4.11Å; I396-A487 VanDerWaalsContact O-CA 3.29Å; I396-A487 WeakPolarHBondContact O-CA 3.08Å; I396-V488 HydrophobicContact CB-CG2 3.72Å; I396-V488 HydrophobicContact CD1-CG2 4.31Å; I396-V488 HydrophobicContact CG1-CG2 4.24Å; I396-V488 PolarHBondContact N-O 3.13Å; I396-V488 PolarHBondContact O-N 3.27Å; I396-F490 HydrophobicContact CD1-CD2 4.29Å; I396-F490 HydrophobicContact CD1-CE2 4.04Å; I396-L505 HydrophobicContact CD1-CD1 4.48Å; I396-L505 HydrophobicContact CD1-CD2 3.82Å; I396-V528 HydrophobicContact CD1-CG1 4.46Å; I396-V528 HydrophobicContact CD1-CG2 4.32Å; I396-V528 HydrophobicContact CG2-CG2 4.08Å
397P96.7Very high90.9Very high23 Ų2354.5 Ų54.515%0.14928%0.281CS..EExtended strand (participates in β ladder)trans-65.8133.3167.6-19.533.1000110.6C313 L337 A338C313-P397 HydrophobicContact CB-CG 4.39Å; L337-P397 HydrophobicContact CD1-CG 3.63Å; A338-P397 WeakPolarHBondContact O-CD 3.33Å
398L95.3Very high92.7Very high9 Ų954.8 Ų54.85%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-134.1150.5-173-64176.8000111.6R341 I396 F400 C486 V488 M509 T527 V528R341-L398 HydrophobicContact CG-CD2 3.84Å; I396-L398 HydrophobicContact CG2-CD2 3.7Å; I396-L398 HydrophobicContact CG2-CG 4.11Å; L398-F400 HydrophobicContact CB-CE1 4.22Å; L398-F400 HydrophobicContact CB-CE2 4.03Å; L398-F400 HydrophobicContact CB-CZ 3.89Å; L398-F400 HydrophobicContact CD1-CE1 3.81Å; L398-F400 HydrophobicContact CD1-CE2 4.12Å; L398-F400 HydrophobicContact CD1-CZ 3.31Å; L398-F400 HydrophobicContact CG-CZ 4.2Å; L398-C486 PolarHBondContact N-O 2.98Å; L398-C486 PolarHBondContact O-N 3.05Å; L398-V488 HydrophobicContact CD1-CG1 3.93Å; L398-V488 HydrophobicContact CD1-CG2 3.76Å; L398-M509 HydrophobicContact CD1-CE 4.31Å; L398-M509 HydrophobicContact CD1-SD 4.45Å; L398-T527 HydrophobicContact CD2-CG2 4.05Å; L398-V528 HydrophobicContact CD2-CG2 4.24Å
399M94.5Very high93.9Very high106 Ų10655.2 Ų55.252%0.52229%0.29SS..EExtended strand (participates in β ladder)trans-127.4100172-174.561.766.500109.8G401 P484M399-G401 WeakPolarHBondContact CG-O 3.4Å; M399-G401 PolarHBondContact O-N 3.14Å; M399-G401 VanDerWaalsContact SD-O 3.4Å; M399-P484 CarbonylContact C-O 3.52Å; M399-P484 WeakPolarHBondContact CA-O 3.47Å; M399-P484 HydrophobicContact SD-CB 4Å; M399-P484 HydrophobicContact SD-CG 4.26Å
400F94.4Very high94.9Very high0 Ų052.9 Ų52.90%027%0.267CS..  trans-86.226.9-174.9-60.6-63.9000114.5L398 I406 N407 Y410 V414 L426 P484 C486 T527L398-F400 HydrophobicContact CB-CE1 4.22Å; L398-F400 HydrophobicContact CB-CE2 4.03Å; L398-F400 HydrophobicContact CB-CZ 3.89Å; L398-F400 HydrophobicContact CD1-CE1 3.81Å; L398-F400 HydrophobicContact CD1-CE2 4.12Å; L398-F400 HydrophobicContact CD1-CZ 3.31Å; L398-F400 HydrophobicContact CG-CZ 4.2Å; F400-I406 HydrophobicContact CB-CD1 3.77Å; F400-I406 HydrophobicContact CB-CG1 3.74Å; F400-I406 HydrophobicContact CD2-CD1 4.26Å; F400-I406 HydrophobicContact CG-CD1 4.09Å; F400-N407 WeakPolarHBondContact O-CB 3.49Å; F400-N407 PolarHBondContact O-N 3.05Å; F400-Y410 HydrophobicContact CB-CD2 4.11Å; F400-Y410 HydrophobicContact CB-CG 4.11Å; F400-Y410 HydrophobicContact CD1-CD1 4Å; F400-Y410 AromaticContact CD1-CG 3.9Å; F400-Y410 HydrophobicContact CD1-CG 3.9Å; F400-Y410 HydrophobicContact CG-CG 4.48Å; F400-Y410 WeakPolarHBondContact O-CD2 3.15Å; F400-V414 HydrophobicContact CD2-CG2 4.04Å; F400-V414 HydrophobicContact CE1-CG2 4.22Å; F400-V414 HydrophobicContact CE2-CG2 3.69Å; F400-V414 HydrophobicContact CG-CG2 4.43Å; F400-V414 HydrophobicContact CZ-CG2 3.77Å; F400-L426 HydrophobicContact CE2-CD1 4.34Å; F400-P484 HydrophobicContact CB-CB 4.36Å; F400-P484 PolarHBondContact N-O 2.97Å; F400-C486 HydrophobicContact CD2-CB 4.18Å; F400-C486 HydrophobicContact CE2-CB 3.9Å; F400-T527 HydrophobicContact CE1-CG2 4.27Å
401G92.5Very high95.3Very high15 Ų1553.1 Ų53.116%0.15527%0.267CS..SBendtrans146.1177.6178.700000113.9M399 P484M399-G401 WeakPolarHBondContact CG-O 3.4Å; M399-G401 PolarHBondContact O-N 3.14Å; M399-G401 VanDerWaalsContact SD-O 3.4Å; G401-P484 WeakPolarHBondContact O-CB 3.47Å
402K89.5Confident95.2Very high211 Ų21157.8 Ų57.892%0.91729%0.289SS*.SBendtrans-100.1137.6173.2-62.7-178.1-179.9-179.30108.9
403G90.9Very high95.1Very high56 Ų5657.8 Ų57.858%0.57729%0.289SS*.SBendtrans102.9-154.6175.700000114.3P484G403-P484 WeakPolarHBondContact O-CD 3.48Å; G403-P484 WeakPolarHBondContact O-CG 3.26Å
404N92.5Very high95.1Very high115 Ų11557.9 Ų57.962%0.61529%0.289SS*.SBendtrans-98.4-3.1-170.3-70.4-29.5000114.5
405R95.3Very high95Very high154 Ų15458.5 Ų58.558%0.58129%0.293SS*.SBendtrans-135.5150.3-177.8-64.9177.4178.2-121.3-7.2109.6N481 L482R405-N481 PolarHBondContact NH1-OD1 3.27Å; R405-L482 CarbonylContact C-O 3.54Å; R405-L482 WeakPolarHBondContact CA-O 3.45Å
406I96.2Very high94.9Very high8 Ų861.9 Ų61.94%0.04131%0.305CS..  trans-59.6139.8177.2-174.9157.1000110.3F400 I411 V414 A479 L482F400-I406 HydrophobicContact CB-CD1 3.77Å; F400-I406 HydrophobicContact CB-CG1 3.74Å; F400-I406 HydrophobicContact CD2-CD1 4.26Å; F400-I406 HydrophobicContact CG-CD1 4.09Å; I406-I411 HydrophobicContact CG2-CD1 4.41Å; I406-I411 HydrophobicContact CG2-CG1 3.88Å; I406-V414 HydrophobicContact CD1-CB 4.49Å; I406-V414 HydrophobicContact CD1-CG2 3.64Å; I406-A479 WeakPolarHBondContact CG2-O 3.31Å; I406-L482 HydrophobicContact CB-CB 4.32Å; I406-L482 HydrophobicContact CD1-CD2 4.08Å; I406-L482 HydrophobicContact CG2-CB 4.17Å; I406-L482 PolarHBondContact N-O 3Å
407N95Very high94.9Very high65 Ų6561.9 Ų61.935%0.34831%0.305SS..  trans-67.2128.4169.1172.4-23.2000108.3F400 R409 Y410F400-N407 WeakPolarHBondContact O-CB 3.49Å; F400-N407 PolarHBondContact O-N 3.05Å; N407-R409 PolarHBondContact O-N 3.07Å; N407-R409 PolarHBondContact OD1-N 3.1Å; N407-R409 VanDerWaalsContact OD1-N 3.07Å; N407-Y410 HydrophobicContact CB-CD2 3.86Å; N407-Y410 HydrophobicContact CB-CE2 4.13Å; N407-Y410 PolarHBondContact O-N 3.22Å
408P95.1Very high95Very high98 Ų9860.8 Ų60.864%0.63630%0.298SS*.G310 helixtrans-48.9-30.2-175.8-31.336000115.5Y410 I411P408-Y410 PolarHBondContact O-N 2.66Å; P408-I411 HydrophobicContact CB-CD1 4.31Å; P408-I411 WeakPolarHBondContact O-CB 3.44Å; P408-I411 PolarHBondContact O-N 2.95Å
409R93.6Very high95Very high164 Ų16462.5 Ų62.562%0.61931%0.311SS*.G310 helixtrans-61-28177.8-67.5-172.4179.3-178.4-1.7113.9N407 V511N407-R409 PolarHBondContact O-N 3.07Å; N407-R409 PolarHBondContact OD1-N 3.1Å; N407-R409 VanDerWaalsContact OD1-N 3.07Å; R409-V511 HydrophobicContact CB-CG1 3.94Å
410Y95.7Very high95.1Very high62 Ų6258 Ų5824%0.24329%0.289CS..G310 helixtrans-93.9-4-179.4-59-74.9000113.7F400 N407 P408 Q412 V413 V414 V511F400-Y410 HydrophobicContact CB-CD2 4.11Å; F400-Y410 HydrophobicContact CB-CG 4.11Å; F400-Y410 HydrophobicContact CD1-CD1 4Å; F400-Y410 AromaticContact CD1-CG 3.9Å; F400-Y410 HydrophobicContact CD1-CG 3.9Å; F400-Y410 HydrophobicContact CG-CG 4.48Å; F400-Y410 WeakPolarHBondContact O-CD2 3.15Å; N407-Y410 HydrophobicContact CB-CD2 3.86Å; N407-Y410 HydrophobicContact CB-CE2 4.13Å; N407-Y410 PolarHBondContact O-N 3.22Å; P408-Y410 PolarHBondContact O-N 2.66Å; Y410-Q412 VanDerWaalsContact C-N 3.3Å; Y410-Q412 PolarHBondContact O-N 3.31Å; Y410-V413 HydrophobicContact CD1-CG2 4.37Å; Y410-V413 WeakPolarHBondContact O-CB 3.35Å; Y410-V413 PolarHBondContact O-N 2.83Å; Y410-V413 VanDerWaalsContact O-N 3.12Å; Y410-V414 PolarHBondContact O-N 3.46Å; Y410-V511 HydrophobicContact CD1-CG2 3.67Å; Y410-V511 HydrophobicContact CE1-CG2 3.44Å; Y410-V511 VanDerWaalsContact CE1-CG2 3.44Å
411I96.4Very high95.2Very high24 Ų2461.6 Ų61.612%0.12331%0.312CS..Hα-helixtrans-57.6-46.9-179.2-69174.2000110.3I406 P408 V413 V414 L415 A479 A480I406-I411 HydrophobicContact CG2-CD1 4.41Å; I406-I411 HydrophobicContact CG2-CG1 3.88Å; P408-I411 HydrophobicContact CB-CD1 4.31Å; P408-I411 WeakPolarHBondContact O-CB 3.44Å; P408-I411 PolarHBondContact O-N 2.95Å; I411-V413 VanDerWaalsContact C-N 3.33Å; I411-V413 PolarHBondContact O-N 3.17Å; I411-V414 PolarHBondContact O-N 3.39Å; I411-L415 HydrophobicContact CG2-CD1 3.88Å; I411-L415 HydrophobicContact CG2-CG 4.36Å; I411-L415 WeakPolarHBondContact O-CG 3.35Å; I411-L415 PolarHBondContact O-N 3.39Å; I411-A479 HydrophobicContact CG2-CB 3.95Å; I411-A480 HydrophobicContact CD1-CB 4.03Å
412Q95.3Very high95.5Very high101 Ų10161.2 Ų61.247%0.47231%0.308SS..Hα-helixtrans-69.4-30.7179.3-64.3-55.7-33.500112.8Y410 L415 R416Y410-Q412 VanDerWaalsContact C-N 3.3Å; Y410-Q412 PolarHBondContact O-N 3.31Å; Q412-L415 PolarHBondContact O-N 2.75Å; Q412-R416 VanDerWaalsContact O-CG 3.32Å; Q412-R416 WeakPolarHBondContact O-CG 3.48Å; Q412-R416 PolarHBondContact O-N 2.92Å; Q412-R416 VanDerWaalsContact O-N 3.14Å; Q412-R416 PolarHBondContact O-NE 3.17Å
413V95.9Very high95.9Very high2 Ų251.2 Ų51.21%0.01226%0.264CS..Hα-helixtrans-59.4-50.4171.61800000109.6Y410 I411 R416 L417 M509 S510 V511Y410-V413 HydrophobicContact CD1-CG2 4.37Å; Y410-V413 WeakPolarHBondContact O-CB 3.35Å; Y410-V413 PolarHBondContact O-N 2.83Å; Y410-V413 VanDerWaalsContact O-N 3.12Å; I411-V413 VanDerWaalsContact C-N 3.33Å; I411-V413 PolarHBondContact O-N 3.17Å; V413-R416 PolarHBondContact O-N 2.94Å; V413-L417 WeakPolarHBondContact O-CG 3.19Å; V413-M509 HydrophobicContact CG1-SD 4Å; V413-S510 WeakPolarHBondContact CG2-O 3.08Å; V413-V511 HydrophobicContact CG2-CG2 4.16Å
414V97.5Very high96.3Very high2 Ų248.5 Ų48.51%0.01224%0.237CC..Hα-helixtrans-62.1-45.4179.7170.20000112.1F400 I406 Y410 I411 R416 L417 F418 L426 L445 L482F400-V414 HydrophobicContact CD2-CG2 4.04Å; F400-V414 HydrophobicContact CE1-CG2 4.22Å; F400-V414 HydrophobicContact CE2-CG2 3.69Å; F400-V414 HydrophobicContact CG-CG2 4.43Å; F400-V414 HydrophobicContact CZ-CG2 3.77Å; I406-V414 HydrophobicContact CD1-CB 4.49Å; I406-V414 HydrophobicContact CD1-CG2 3.64Å; Y410-V414 PolarHBondContact O-N 3.46Å; I411-V414 PolarHBondContact O-N 3.39Å; V414-R416 VanDerWaalsContact C-N 3.32Å; V414-R416 PolarHBondContact O-N 3.28Å; V414-L417 WeakPolarHBondContact O-CB 3.37Å; V414-L417 PolarHBondContact O-N 3.05Å; V414-F418 HydrophobicContact CG1-CE2 3.95Å; V414-F418 HydrophobicContact CG1-CZ 4.49Å; V414-F418 WeakPolarHBondContact O-CD2 3.49Å; V414-F418 VanDerWaalsContact O-CE2 3.3Å; V414-F418 WeakPolarHBondContact O-CE2 3.32Å; V414-L426 HydrophobicContact CG1-CD1 4.08Å; V414-L445 HydrophobicContact CG1-CD2 4.2Å; V414-L482 HydrophobicContact CG1-CD2 3.85Å; V414-L482 HydrophobicContact CG2-CD2 4.09Å
415L97.6Very high96.6Very high14 Ų1443 Ų437%0.07321%0.208CC..Hα-helixtrans-62.6-37.3-178.6-67.5173000112.5I411 Q412 L417 F418 C440 N443 L445 A479I411-L415 HydrophobicContact CG2-CD1 3.88Å; I411-L415 HydrophobicContact CG2-CG 4.36Å; I411-L415 WeakPolarHBondContact O-CG 3.35Å; I411-L415 PolarHBondContact O-N 3.39Å; Q412-L415 PolarHBondContact O-N 2.75Å; L415-L417 VanDerWaalsContact C-N 3.26Å; L415-L417 PolarHBondContact O-N 3.29Å; L415-F418 WeakPolarHBondContact O-CD2 3.33Å; L415-F418 PolarHBondContact O-N 3.14Å; L415-C440 HydrophobicContact CD2-CB 3.58Å; L415-N443 WeakPolarHBondContact CD1-OD1 3.33Å; L415-L445 HydrophobicContact CD2-CD2 3.85Å; L415-A479 HydrophobicContact CD2-CB 4.23Å
416R95.9Very high96.8Very high70 Ų7035.7 Ų35.726%0.26418%0.18SC..Hα-helixtrans-66.7-23.4177.1-71-178.5-56.3-176.98.5113.7Q412 V413 V414 F418 S419 L508 S510Q412-R416 VanDerWaalsContact O-CG 3.32Å; Q412-R416 WeakPolarHBondContact O-CG 3.48Å; Q412-R416 PolarHBondContact O-N 2.92Å; Q412-R416 VanDerWaalsContact O-N 3.14Å; Q412-R416 PolarHBondContact O-NE 3.17Å; V413-R416 PolarHBondContact O-N 2.94Å; V414-R416 VanDerWaalsContact C-N 3.32Å; V414-R416 PolarHBondContact O-N 3.28Å; R416-F418 VanDerWaalsContact C-N 3.26Å; R416-F418 PolarHBondContact O-N 2.93Å; R416-S419 PolarHBondContact O-N 3.32Å; R416-S419 PolarHBondContact O-OG 3.48Å; R416-L508 HydrophobicContact CB-CD1 3.89Å; R416-L508 PolarHBondContact NH2-O 2.9Å; R416-S510 PolarHBondContact NH2-O 3.08Å
417L97.8Very high96.9Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-61.7-36.7179.2-58.8175.3000112.1V413 V414 L415 S419 D420 F423 L426 V488 F490 L508 M509V413-L417 WeakPolarHBondContact O-CG 3.19Å; V414-L417 WeakPolarHBondContact O-CB 3.37Å; V414-L417 PolarHBondContact O-N 3.05Å; L415-L417 VanDerWaalsContact C-N 3.26Å; L415-L417 PolarHBondContact O-N 3.29Å; L417-S419 PolarHBondContact O-N 3.39Å; L417-D420 PolarHBondContact O-N 3.25Å; L417-D420 VanDerWaalsContact O-N 3.12Å; L417-F423 HydrophobicContact CB-CD2 3.99Å; L417-F423 HydrophobicContact CB-CE2 3.71Å; L417-F423 HydrophobicContact CB-CZ 4.06Å; L417-F423 HydrophobicContact CD1-CE2 4.34Å; L417-F423 VanDerWaalsContact O-CB 3.24Å; L417-F423 WeakPolarHBondContact O-CB 3.42Å; L417-F423 WeakPolarHBondContact O-CD1 3.48Å; L417-F423 WeakPolarHBondContact O-CG 3.41Å; L417-L426 HydrophobicContact CD1-CD1 4.2Å; L417-V488 HydrophobicContact CD1-CG1 3.65Å; L417-F490 HydrophobicContact CD2-CZ 3.99Å; L417-L508 HydrophobicContact CD2-CD2 4.01Å; L417-L508 HydrophobicContact CD2-CG 4.03Å; L417-M509 HydrophobicContact CD2-CE 3.39Å; L417-M509 HydrophobicContact CD2-SD 3.89Å
418F97.9Very high97Very high0 Ų032.2 Ų32.20%016%0.161CC..THydrogen-bonded Turntrans-68.3-19.3-175-61.6-75.8000113.7G108 V414 L415 R416 F423 V438 G439 C440 L445G108-F418 WeakPolarHBondContact CA-O 3.32Å; G108-F418 PolarHBondContact N-O 3.08Å; V414-F418 HydrophobicContact CG1-CE2 3.95Å; V414-F418 HydrophobicContact CG1-CZ 4.49Å; V414-F418 WeakPolarHBondContact O-CD2 3.49Å; V414-F418 VanDerWaalsContact O-CE2 3.3Å; V414-F418 WeakPolarHBondContact O-CE2 3.32Å; L415-F418 WeakPolarHBondContact O-CD2 3.33Å; L415-F418 PolarHBondContact O-N 3.14Å; R416-F418 VanDerWaalsContact C-N 3.26Å; R416-F418 PolarHBondContact O-N 2.93Å; F418-F423 HydrophobicContact CD1-CD1 4.3Å; F418-F423 AromaticContact CD1-CE1 3.44Å; F418-F423 HydrophobicContact CD1-CE1 3.44Å; F418-F423 VanDerWaalsContact CD1-CE1 3.44Å; F418-F423 HydrophobicContact CD1-CZ 4.07Å; F418-F423 AromaticContact CE1-CE1 3.75Å; F418-F423 HydrophobicContact CE1-CE1 3.75Å; F418-F423 AromaticContact CE1-CZ 3.99Å; F418-F423 HydrophobicContact CE1-CZ 3.99Å; F418-F423 HydrophobicContact CG-CE1 4.23Å; F418-V438 VanDerWaalsContact CD1-C 3.48Å; F418-G439 VanDerWaalsContact CD1-N 3.29Å; F418-C440 HydrophobicContact CD2-CB 3.75Å; F418-C440 VanDerWaalsContact CD2-SG 3.57Å; F418-C440 HydrophobicContact CE2-CB 4.15Å; F418-C440 HydrophobicContact CG-CB 4.24Å; F418-L445 HydrophobicContact CD2-CD2 4.47Å; F418-L445 HydrophobicContact CE2-CD2 3.47Å; F418-L445 VanDerWaalsContact CE2-CD2 3.47Å; F418-L445 HydrophobicContact CZ-CD2 3.81Å
419S95.7Very high96.9Very high46 Ų4627.7 Ų27.732%0.32213%0.132SC..THydrogen-bonded Turntrans-92-9.1176.364.60000113.3Y105 R416 L417Y105-S419 VanDerWaalsContact CD1-CB 3.45Å; R416-S419 PolarHBondContact O-N 3.32Å; R416-S419 PolarHBondContact O-OG 3.48Å; L417-S419 PolarHBondContact O-N 3.39Å
420D97.1Very high96.7Very high10 Ų1025.7 Ų25.75%0.05313%0.125CC..  trans-75128.3-177.8-176.4-84000111.3G108 L417 A422 F423 F490 R504 L508G108-D420 WeakPolarHBondContact CA-O 3.4Å; L417-D420 PolarHBondContact O-N 3.25Å; L417-D420 VanDerWaalsContact O-N 3.12Å; D420-A422 PolarHBondContact O-N 3.24Å; D420-A422 VanDerWaalsContact O-N 3.13Å; D420-A422 WeakPolarHBondContact OD1-CA 2.94Å; D420-A422 VanDerWaalsContact OD1-CB 3.32Å; D420-A422 WeakPolarHBondContact OD1-CB 3.46Å; D420-A422 PolarHBondContact OD1-N 3.35Å; D420-F423 HydrophobicContact CB-CB 4.27Å; D420-F423 VanDerWaalsContact O-CB 3.23Å; D420-F423 WeakPolarHBondContact O-CB 3.12Å; D420-F423 PolarHBondContact O-N 3.35Å; D420-F423 PolarHBondContact OD1-N 2.9Å; D420-F490 HydrophobicContact CB-CE1 4.4Å; D420-R504 IonicContact OD2-NH2 3.85Å; D420-L508 HydrophobicContact CB-CD2 3.87Å
421P96.5Very high96.3Very high76 Ų7630.7 Ų30.749%0.49414%0.143SC..THydrogen-bonded Turntrans-63-19-176.9-25.534.6000115.4R259R259-P421 PolarHBondContact NE-O 3.41Å; R259-P421 PolarHBondContact NH1-O 3.47Å; R259-P421 PolarHBondContact NH2-O 3.38Å
422A98.2Very high95.8Very high8 Ų834.6 Ų34.67%0.06616%0.159CC..THydrogen-bonded Turntrans-88.9-16.7175.800000112R259 D420 V424 F490 Y491 L501R259-A422 PolarHBondContact NH2-O 3.12Å; D420-A422 PolarHBondContact O-N 3.24Å; D420-A422 VanDerWaalsContact O-N 3.13Å; D420-A422 WeakPolarHBondContact OD1-CA 2.94Å; D420-A422 VanDerWaalsContact OD1-CB 3.32Å; D420-A422 WeakPolarHBondContact OD1-CB 3.46Å; D420-A422 PolarHBondContact OD1-N 3.35Å; A422-V424 PolarHBondContact O-N 3.05Å; A422-F490 HydrophobicContact CB-CB 4.24Å; A422-F490 HydrophobicContact CB-CD1 4.11Å; A422-F490 CarbonylContact O-C 3.58Å; A422-F490 WeakPolarHBondContact O-CA 3.29Å; A422-Y491 PolarHBondContact O-N 3.47Å; A422-L501 HydrophobicContact CB-CD1 4.08Å; A422-L501 HydrophobicContact CB-CD2 4.08Å; A422-L501 HydrophobicContact CB-CG 4.47Å
423F98.7Very high95.6Very high0 Ų034.9 Ų34.90%016%0.16CC..EExtended strand (participates in β ladder)trans-59135.8-175-171.7-112.4000112.5L107 R259 L417 F418 D420 G425 L426 V488 F490L107-F423 HydrophobicContact CD2-CD1 4.34Å; L107-F423 HydrophobicContact CD2-CE1 4.46Å; R259-F423 PolarHBondContact NH1-O 2.78Å; L417-F423 HydrophobicContact CB-CD2 3.99Å; L417-F423 HydrophobicContact CB-CE2 3.71Å; L417-F423 HydrophobicContact CB-CZ 4.06Å; L417-F423 HydrophobicContact CD1-CE2 4.34Å; L417-F423 VanDerWaalsContact O-CB 3.24Å; L417-F423 WeakPolarHBondContact O-CB 3.42Å; L417-F423 WeakPolarHBondContact O-CD1 3.48Å; L417-F423 WeakPolarHBondContact O-CG 3.41Å; F418-F423 HydrophobicContact CD1-CD1 4.3Å; F418-F423 AromaticContact CD1-CE1 3.44Å; F418-F423 HydrophobicContact CD1-CE1 3.44Å; F418-F423 VanDerWaalsContact CD1-CE1 3.44Å; F418-F423 HydrophobicContact CD1-CZ 4.07Å; F418-F423 AromaticContact CE1-CE1 3.75Å; F418-F423 HydrophobicContact CE1-CE1 3.75Å; F418-F423 AromaticContact CE1-CZ 3.99Å; F418-F423 HydrophobicContact CE1-CZ 3.99Å; F418-F423 HydrophobicContact CG-CE1 4.23Å; D420-F423 HydrophobicContact CB-CB 4.27Å; D420-F423 VanDerWaalsContact O-CB 3.23Å; D420-F423 WeakPolarHBondContact O-CB 3.12Å; D420-F423 PolarHBondContact O-N 3.35Å; D420-F423 PolarHBondContact OD1-N 2.9Å; F423-G425 WeakPolarHBondContact CE2-O 3.31Å; F423-L426 HydrophobicContact CE2-CB 4.4Å; F423-L426 HydrophobicContact CZ-CB 3.91Å; F423-V488 HydrophobicContact CE2-CB 4.4Å; F423-F490 HydrophobicContact CB-CD1 4.32Å; F423-F490 HydrophobicContact CB-CE1 4.31Å; F423-F490 HydrophobicContact CD2-CD1 4.42Å; F423-F490 HydrophobicContact CD2-CE1 4.05Å; F423-F490 HydrophobicContact CD2-CZ 4.36Å
424V98.7Very high95.6Very high0 Ų034.8 Ų34.80%016%0.16CC..EExtended strand (participates in β ladder)trans-125.612.9174.8-660000112.6Q250 A251 V254 L393 A422 Y436 G489 Y491Q250-V424 HydrophobicContact CG-CB 3.97Å; Q250-V424 HydrophobicContact CG-CG1 4.37Å; A251-V424 HydrophobicContact CB-CG2 4.37Å; V254-V424 HydrophobicContact CG2-CG1 4.44Å; L393-V424 HydrophobicContact CD1-CG2 3.86Å; A422-V424 PolarHBondContact O-N 3.05Å; V424-Y436 PolarHBondContact O-OH 2.96Å; V424-G489 VanDerWaalsContact CG2-O 3.31Å; V424-G489 WeakPolarHBondContact CG2-O 3.41Å; V424-G489 PolarHBondContact N-O 3.21Å; V424-Y491 VanDerWaalsContact CG1-CB 3.46Å
425G98.7Very high95.6Very high0 Ų035.3 Ų35.30%016%0.163CC..EExtended strand (participates in β ladder)trans120.8166.9169.100000114.6F423 G489F423-G425 WeakPolarHBondContact CE2-O 3.31Å; G425-G489 PolarHBondContact O-N 3.34Å
426L98.8Very high95.7Very high0 Ų034.7 Ų34.70%016%0.16CC..EExtended strand (participates in β ladder)trans-120.3130.7177.9178160.4000108.2F400 V414 L417 F423 Y437 L482 C486 A487 V488F400-L426 HydrophobicContact CE2-CD1 4.34Å; V414-L426 HydrophobicContact CG1-CD1 4.08Å; L417-L426 HydrophobicContact CD1-CD1 4.2Å; F423-L426 HydrophobicContact CE2-CB 4.4Å; F423-L426 HydrophobicContact CZ-CB 3.91Å; L426-Y437 HydrophobicContact CD2-CD2 3.33Å; L426-Y437 HydrophobicContact CD2-CE2 3.99Å; L426-Y437 HydrophobicContact CD2-CG 4.06Å; L426-Y437 PolarHBondContact N-O 3.25Å; L426-Y437 WeakPolarHBondContact O-CD2 3.34Å; L426-Y437 PolarHBondContact O-N 3.2Å; L426-L482 HydrophobicContact CD2-CD1 4.36Å; L426-C486 HydrophobicContact CD2-CB 4.14Å; L426-C486 HydrophobicContact CG-CB 4.29Å; L426-A487 WeakPolarHBondContact CA-O 3.19Å; L426-V488 HydrophobicContact CB-CG1 4.16Å; L426-V488 HydrophobicContact CD1-CG1 3.83Å; L426-V488 HydrophobicContact CG-CG1 3.94Å
427I98.8Very high95.8Very high0 Ų031.8 Ų31.80%015%0.149CC..EExtended strand (participates in β ladder)trans-108.6139.2170.259.5176.7000108.6M240 C243 L247 I312 Y436 C486 A487M240-I427 HydrophobicContact SD-CB 4.32Å; M240-I427 HydrophobicContact SD-CD1 4.11Å; M240-I427 HydrophobicContact SD-CG1 4.39Å; C243-I427 HydrophobicContact CB-CB 4.01Å; C243-I427 HydrophobicContact CB-CG2 3.68Å; C243-I427 WeakPolarHBondContact O-CG2 3.22Å; L247-I427 HydrophobicContact CB-CG2 3.92Å; L247-I427 HydrophobicContact CD1-CD1 4.32Å; L247-I427 HydrophobicContact CD1-CG1 4.14Å; L247-I427 HydrophobicContact CD1-CG2 3.83Å; I312-I427 HydrophobicContact CG2-CD1 3.61Å; I427-Y436 HydrophobicContact CG2-CD2 3.74Å; I427-C486 CarbonylContact O-C 3.57Å; I427-C486 WeakPolarHBondContact O-CA 3.17Å; I427-A487 HydrophobicContact CD1-CB 4.25Å; I427-A487 HydrophobicContact CG1-CB 3.87Å; I427-A487 PolarHBondContact N-O 3.17Å; I427-A487 PolarHBondContact O-N 3.25Å
428G97.2Very high95.9Very high0 Ų031.8 Ų31.80%015%0.149CC..EExtended strand (participates in β ladder)trans-168.5165.7-177.200000112.5S434 S435 S485G428-S434 CarbonylContact O-C 3.42Å; G428-S434 VanDerWaalsContact O-CA 3.27Å; G428-S434 WeakPolarHBondContact O-CA 3.5Å; G428-S435 PolarHBondContact N-O 3.3Å; G428-S435 PolarHBondContact O-N 3.47Å; G428-S485 WeakPolarHBondContact CA-O 3.19Å
429G93Very high95.9Very high2 Ų231.8 Ų31.82%0.02115%0.149CC..EExtended strand (participates in β ladder)trans134.9-165.1179.100000114H433 N483 S485G429-H433 VanDerWaalsContact CA-O 3.31Å; G429-H433 WeakPolarHBondContact CA-O 3.29Å; G429-N483 PolarHBondContact O-OD1 3.29Å; G429-S485 PolarHBondContact N-O 2.93Å
430R89.8Confident95.9Very high123 Ų12329.8 Ų29.846%0.46414%0.135SC..EExtended strand (participates in β ladder)trans-130.4177.9-179.460.4-175.3178.2126.45.6109.8K432 H433 S434R430-K432 PolarHBondContact O-N 2.9Å; R430-H433 HydrophobicContact CG-CB 4.01Å; R430-H433 PolarHBondContact N-O 3.03Å; R430-H433 CarbonylContact O-C 3.51Å; R430-H433 PolarHBondContact O-N 3.23Å; R430-S434 PolarHBondContact O-OG 2.72Å; R430-S434 VanDerWaalsContact O-OG 3.06Å
431R87Confident95.8Very high167 Ų16729.9 Ų29.963%0.6314%0.135SC*.THydrogen-bonded Turntrans-46.9127.3175-17117475.1132.3-1.6110.6W306 H433W306-R431 HydrophobicContact CB-CB 4.31Å; W306-R431 HydrophobicContact CB-CG 4.09Å; W306-R431 VanDerWaalsContact CD1-CA 3.46Å; W306-R431 HydrophobicContact CG-CB 4Å; W306-R431 HydrophobicContact CG-CG 4.27Å; R431-H433 PolarHBondContact O-N 3.28Å
432K86.7Confident95.7Very high105 Ų10530.6 Ų30.646%0.45714%0.135SC..THydrogen-bonded Turntrans63.38.3-179.7-64.3174179.9-164.90116.4G236 R430 H451G236-K432 VanDerWaalsContact O-CE 3.27Å; G236-K432 WeakPolarHBondContact O-CE 3.39Å; G236-K432 WeakPolarHBondContact O-CG 3.25Å; R430-K432 PolarHBondContact O-N 2.9Å; K432-H451 VanDerWaalsContact C-NE2 3.33Å; K432-H451 PolarHBondContact O-NE2 3.25Å
433H90.3Very high95.6Very high108 Ų10834.6 Ų34.650%0.516%0.155SC..EExtended strand (participates in β ladder)trans-145.957.3-178.8-63.7-71.9000110.3G429 R430 R431G429-H433 VanDerWaalsContact CA-O 3.31Å; G429-H433 WeakPolarHBondContact CA-O 3.29Å; R430-H433 HydrophobicContact CG-CB 4.01Å; R430-H433 PolarHBondContact N-O 3.03Å; R430-H433 CarbonylContact O-C 3.51Å; R430-H433 PolarHBondContact O-N 3.23Å; R431-H433 PolarHBondContact O-N 3.28Å
434S96.3Very high95.5Very high0 Ų036.9 Ų36.90%017%0.171CC..EExtended strand (participates in β ladder)trans-109.4142.6175.8-54.50000110.9M240 G428 R430 P450 H451M240-S434 WeakPolarHBondContact CE-OG 3.36Å; G428-S434 CarbonylContact O-C 3.42Å; G428-S434 VanDerWaalsContact O-CA 3.27Å; G428-S434 WeakPolarHBondContact O-CA 3.5Å; R430-S434 PolarHBondContact O-OG 2.72Å; R430-S434 VanDerWaalsContact O-OG 3.06Å; S434-P450 VanDerWaalsContact O-CD 3.29Å; S434-P450 WeakPolarHBondContact O-CD 2.94Å; S434-P450 VanDerWaalsContact O-CG 3.22Å; S434-P450 WeakPolarHBondContact O-CG 3.19Å; S434-H451 PolarHBondContact O-CE1 2.72Å
435S97.6Very high95.5Very high12 Ų1236.9 Ų36.98%0.08417%0.171CC..EExtended strand (participates in β ladder)trans-141.2157.1-176.2-62.30000111.5C243 G428 Y437C243-S435 VanDerWaalsContact SG-CA 3.56Å; G428-S435 PolarHBondContact N-O 3.3Å; G428-S435 PolarHBondContact O-N 3.47Å; S435-Y437 WeakPolarHBondContact O-CE2 3.49Å
436Y98.7Very high95.4Very high2 Ų236.9 Ų36.91%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-106.7109.3175.9172.6-126.7000109.7M246 L247 Q250 V424 I427 V438 Y447 L448M246-Y436 HydrophobicContact CB-CD1 3.4Å; M246-Y436 HydrophobicContact CB-CD2 4.45Å; M246-Y436 HydrophobicContact CB-CE1 3.73Å; M246-Y436 HydrophobicContact CB-CG 3.8Å; M246-Y436 HydrophobicContact CE-CD1 4.49Å; M246-Y436 HydrophobicContact CE-CG 4.46Å; M246-Y436 HydrophobicContact CG-CD1 4.12Å; M246-Y436 HydrophobicContact SD-CD1 3.82Å; M246-Y436 HydrophobicContact SD-CG 4.36Å; L247-Y436 HydrophobicContact CB-CD2 4.37Å; L247-Y436 HydrophobicContact CB-CE2 3.97Å; Q250-Y436 WeakPolarHBondContact CB-OH 3.27Å; Q250-Y436 WeakPolarHBondContact CG-OH 3.5Å; V424-Y436 PolarHBondContact O-OH 2.96Å; I427-Y436 HydrophobicContact CG2-CD2 3.74Å; Y436-V438 HydrophobicContact CD1-CG1 3.6Å; Y436-V438 HydrophobicContact CE1-CG1 3.19Å; Y436-V438 HydrophobicContact CE2-CG1 4.3Å; Y436-V438 HydrophobicContact CG-CG1 4.3Å; Y436-Y447 CarbonylContact O-C 3.35Å; Y436-Y447 WeakPolarHBondContact O-CA 3.34Å; Y436-Y447 VanDerWaalsContact O-CB 3.24Å; Y436-Y447 WeakPolarHBondContact O-CB 3.38Å; Y436-L448 HydrophobicContact CD1-CB 4.17Å; Y436-L448 HydrophobicContact CD1-CD1 3.88Å; Y436-L448 HydrophobicContact CE1-CD1 4.13Å; Y436-L448 PolarHBondContact N-O 3.41Å; Y436-L448 PolarHBondContact O-N 3.38Å
437Y98.7Very high95.3Very high9 Ų938.6 Ų38.64%0.03518%0.178CC..EExtended strand (participates in β ladder)trans-91.4124-176.2-56.4-86.8000109.6L426 S435 L445 Y447 M477 L482L426-Y437 HydrophobicContact CD2-CD2 3.33Å; L426-Y437 HydrophobicContact CD2-CE2 3.99Å; L426-Y437 HydrophobicContact CD2-CG 4.06Å; L426-Y437 PolarHBondContact N-O 3.25Å; L426-Y437 WeakPolarHBondContact O-CD2 3.34Å; L426-Y437 PolarHBondContact O-N 3.2Å; S435-Y437 WeakPolarHBondContact O-CE2 3.49Å; Y437-L445 HydrophobicContact CD1-CB 3.82Å; Y437-L445 HydrophobicContact CD1-CD1 3.98Å; Y437-L445 HydrophobicContact CE1-CB 4.29Å; Y437-L445 HydrophobicContact CE1-CD1 4.14Å; Y437-Y447 HydrophobicContact CD1-CD1 4.34Å; Y437-Y447 HydrophobicContact CD1-CG 4.19Å; Y437-Y447 HydrophobicContact CE1-CD1 4.07Å; Y437-Y447 HydrophobicContact CE1-CG 4.03Å; Y437-M477 HydrophobicContact CD1-CE 4.4Å; Y437-M477 HydrophobicContact CE1-CE 3.31Å; Y437-M477 HydrophobicContact CE1-CG 4.27Å; Y437-M477 HydrophobicContact CE1-SD 3.72Å; Y437-M477 VanDerWaalsContact CZ-CE 3.49Å; Y437-M477 WeakPolarHBondContact OH-CE 3.06Å; Y437-L482 HydrophobicContact CD2-CD1 4.16Å; Y437-L482 HydrophobicContact CE1-CD1 4.16Å; Y437-L482 HydrophobicContact CE2-CD1 3.51Å
438V98.6Very high95.2Very high0 Ų038.6 Ų38.60%018%0.178CC..EExtended strand (participates in β ladder)trans-116-19.6-173.1-63.50000113M106 L107 F139 F418 Y436 I446 L448M106-V438 CarbonylContact C-O 3.52Å; M106-V438 WeakPolarHBondContact CA-O 3.45Å; M106-V438 HydrophobicContact CE-CB 4.23Å; M106-V438 HydrophobicContact CE-CG2 3.99Å; M106-V438 HydrophobicContact SD-CG2 4.38Å; L107-V438 HydrophobicContact CD1-CB 4.24Å; L107-V438 HydrophobicContact CD1-CG1 4.43Å; L107-V438 HydrophobicContact CD2-CB 4.06Å; L107-V438 HydrophobicContact CD2-CG1 4.28Å; L107-V438 HydrophobicContact CG-CB 4.04Å; L107-V438 WeakPolarHBondContact CG-O 3.43Å; L107-V438 PolarHBondContact N-O 3.06Å; F139-V438 HydrophobicContact CD2-CG2 4.07Å; F139-V438 HydrophobicContact CE2-CG2 3.77Å; F418-V438 VanDerWaalsContact CD1-C 3.48Å; Y436-V438 HydrophobicContact CD1-CG1 3.6Å; Y436-V438 HydrophobicContact CE1-CG1 3.19Å; Y436-V438 HydrophobicContact CE2-CG1 4.3Å; Y436-V438 HydrophobicContact CG-CG1 4.3Å; V438-I446 HydrophobicContact CG2-CG2 4.21Å; V438-I446 PolarHBondContact N-O 3Å; V438-L448 HydrophobicContact CG1-CD1 4.42Å
439G98.2Very high95Very high0 Ų039.8 Ų39.80%018%0.184CC..EExtended strand (participates in β ladder)trans-157.5-179.4-178.200000114.1Y105 F418 I446Y105-G439 CarbonylContact O-C 3.6Å; Y105-G439 WeakPolarHBondContact O-CA 3.27Å; F418-G439 VanDerWaalsContact CD1-N 3.29Å; G439-I446 PolarHBondContact N-O 2.91Å; G439-I446 PolarHBondContact O-N 3.45Å
440C97.4Very high95.1Very high3 Ų339.7 Ų39.72%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-150.3156.6170.566.20000112Y105 L415 F418 S444 L445Y105-C440 PolarHBondContact N-O 3.09Å; Y105-C440 PolarHBondContact O-N 3.17Å; L415-C440 HydrophobicContact CD2-CB 3.58Å; F418-C440 HydrophobicContact CD2-CB 3.75Å; F418-C440 VanDerWaalsContact CD2-SG 3.57Å; F418-C440 HydrophobicContact CE2-CB 4.15Å; F418-C440 HydrophobicContact CG-CB 4.24Å; C440-S444 CarbonylContact C-O 3.24Å; C440-S444 WeakPolarHBondContact CA-O 3.35Å; C440-S444 VanDerWaalsContact CB-O 3.27Å; C440-S444 WeakPolarHBondContact CB-O 3.44Å; C440-L445 HydrophobicContact CB-CD2 4.14Å
441Q94.8Very high95.2Very high13 Ų1335.4 Ų35.46%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-139129.9165.5-175.8-175.655.100107.6D99 A102 I104 N443 S444D99-Q441 PolarHBondContact O-NE2 3.39Å; A102-Q441 HydrophobicContact CB-CG 3.98Å; A102-Q441 PolarHBondContact O-NE2 3.38Å; I104-Q441 HydrophobicContact CG1-CB 4.21Å; I104-Q441 HydrophobicContact CG1-CG 4.09Å; I104-Q441 VanDerWaalsContact CG1-NE2 3.31Å; Q441-N443 PolarHBondContact O-N 3.01Å; Q441-S444 PolarHBondContact N-O 3.24Å; Q441-S444 WeakPolarHBondContact O-CB 3.44Å; Q441-S444 PolarHBondContact O-N 3.49Å
442N94Very high95.1Very high91 Ų9128.5 Ų28.549%0.48714%0.143SC..THydrogen-bonded Turntrans50.9-126.5-171.9-61.3-35.6000110.2D99 A102D99-N442 PolarHBondContact OD2-ND2 2.6Å; A102-N442 VanDerWaalsContact CB-OD1 3.28Å; A102-N442 WeakPolarHBondContact CB-OD1 3.18Å
443N95.7Very high95.1Very high91 Ų9124.9 Ų24.949%0.48713%0.13SC..THydrogen-bonded Turntrans-9823.3175.5-70-12.6000113.3L415 Q441 A479L415-N443 WeakPolarHBondContact CD1-OD1 3.33Å; Q441-N443 PolarHBondContact O-N 3.01Å; N443-A479 WeakPolarHBondContact O-CB 3.41Å; N443-A479 PolarHBondContact O-N 3.1Å
444S96.1Very high95Very high49 Ų4920.5 Ų20.534%0.34311%0.109SC..EExtended strand (participates in β ladder)trans-112.5133.5179.1-66.20000110.8C440 Q441 M477C440-S444 CarbonylContact C-O 3.24Å; C440-S444 WeakPolarHBondContact CA-O 3.35Å; C440-S444 VanDerWaalsContact CB-O 3.27Å; C440-S444 WeakPolarHBondContact CB-O 3.44Å; Q441-S444 PolarHBondContact N-O 3.24Å; Q441-S444 WeakPolarHBondContact O-CB 3.44Å; Q441-S444 PolarHBondContact O-N 3.49Å; S444-M477 CarbonylContact C-O 3.55Å; S444-M477 WeakPolarHBondContact CA-O 3.21Å
445L98.1Very high94.5Very high0 Ų022.9 Ų22.90%013%0.125CC..EExtended strand (participates in β ladder)trans-90.9142.2174.9-57.9176.7000110.1V414 L415 F418 Y437 C440 T476 M477 A479 L482V414-L445 HydrophobicContact CG1-CD2 4.2Å; L415-L445 HydrophobicContact CD2-CD2 3.85Å; F418-L445 HydrophobicContact CD2-CD2 4.47Å; F418-L445 HydrophobicContact CE2-CD2 3.47Å; F418-L445 VanDerWaalsContact CE2-CD2 3.47Å; F418-L445 HydrophobicContact CZ-CD2 3.81Å; Y437-L445 HydrophobicContact CD1-CB 3.82Å; Y437-L445 HydrophobicContact CD1-CD1 3.98Å; Y437-L445 HydrophobicContact CE1-CB 4.29Å; Y437-L445 HydrophobicContact CE1-CD1 4.14Å; C440-L445 HydrophobicContact CB-CD2 4.14Å; L445-T476 CarbonylContact O-C 3.58Å; L445-T476 WeakPolarHBondContact O-CA 3.43Å; L445-M477 HydrophobicContact CB-CG 4.3Å; L445-M477 HydrophobicContact CD1-CE 3.83Å; L445-M477 PolarHBondContact N-O 3.26Å; L445-M477 PolarHBondContact O-N 3.37Å; L445-A479 HydrophobicContact CD1-CB 4.19Å; L445-A479 HydrophobicContact CD2-CB 4.14Å; L445-A479 HydrophobicContact CG-CB 3.88Å; L445-L482 HydrophobicContact CD1-CB 4.03Å; L445-L482 HydrophobicContact CD1-CD1 4.07Å; L445-L482 HydrophobicContact CD1-CD2 4.03Å; L445-L482 HydrophobicContact CD1-CG 4.27Å
446I97.1Very high94.1Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-107129.2176-57.5163.2000107.8F98 I104 F135 F139 V438 G439 P474 K475 T476F98-I446 HydrophobicContact CE1-CD1 3.7Å; F98-I446 HydrophobicContact CE1-CG1 4.08Å; F98-I446 HydrophobicContact CZ-CD1 4.3Å; F98-I446 HydrophobicContact CZ-CG1 4.44Å; I104-I446 HydrophobicContact CG2-CD1 3.63Å; F135-I446 HydrophobicContact CE2-CD1 4.18Å; F135-I446 HydrophobicContact CZ-CD1 4.13Å; F139-I446 HydrophobicContact CD2-CG2 4.18Å; F139-I446 HydrophobicContact CE2-CG2 3.9Å; V438-I446 HydrophobicContact CG2-CG2 4.21Å; V438-I446 PolarHBondContact N-O 3Å; G439-I446 PolarHBondContact N-O 2.91Å; G439-I446 PolarHBondContact O-N 3.45Å; I446-P474 HydrophobicContact CG2-CB 3.75Å; I446-K475 WeakPolarHBondContact CA-O 3.35Å; I446-T476 HydrophobicContact CG1-CG2 4.13Å
447Y97.7Very high93.5Very high35 Ų3526.9 Ų26.914%0.13715%0.145CC..EExtended strand (participates in β ladder)trans-145.5157.4-173.268-84.7000114.3Y436 Y437 D449 K475 M477Y436-Y447 CarbonylContact O-C 3.35Å; Y436-Y447 WeakPolarHBondContact O-CA 3.34Å; Y436-Y447 VanDerWaalsContact O-CB 3.24Å; Y436-Y447 WeakPolarHBondContact O-CB 3.38Å; Y437-Y447 HydrophobicContact CD1-CD1 4.34Å; Y437-Y447 HydrophobicContact CD1-CG 4.19Å; Y437-Y447 HydrophobicContact CE1-CD1 4.07Å; Y437-Y447 HydrophobicContact CE1-CG 4.03Å; Y447-D449 HydrophobicContact CD2-CB 4.32Å; Y447-D449 HydrophobicContact CE2-CB 4.01Å; Y447-K475 HydrophobicContact CD1-CB 4.1Å; Y447-K475 WeakPolarHBondContact CD1-O 3.19Å; Y447-K475 HydrophobicContact CD2-CB 4.17Å; Y447-K475 HydrophobicContact CE1-CB 3.61Å; Y447-K475 HydrophobicContact CE2-CB 3.69Å; Y447-K475 HydrophobicContact CE2-CD 4.01Å; Y447-K475 HydrophobicContact CE2-CG 4.4Å; Y447-K475 HydrophobicContact CG-CB 4.36Å; Y447-K475 PolarHBondContact N-O 3.38Å; Y447-K475 PolarHBondContact O-N 3.13Å; Y447-M477 HydrophobicContact CD1-CG 4.17Å; Y447-M477 HydrophobicContact CE1-CB 4.02Å; Y447-M477 HydrophobicContact CE1-CG 3.88Å; Y447-M477 HydrophobicContact CE1-SD 4.26Å
448L96.4Very high92.7Very high1 Ų131.7 Ų31.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-95.5130.7166.6-73.1168.7000109.4F139 R142 W144 M246 Y436 V438 C471F139-L448 HydrophobicContact CE1-CD2 3.93Å; F139-L448 HydrophobicContact CE2-CD2 4.19Å; F139-L448 HydrophobicContact CE2-CG 4.25Å; F139-L448 HydrophobicContact CZ-CD2 3.42Å; F139-L448 VanDerWaalsContact CZ-CD2 3.42Å; F139-L448 HydrophobicContact CZ-CG 3.94Å; R142-L448 HydrophobicContact CB-CD1 4.11Å; W144-L448 HydrophobicContact CB-CD2 4.24Å; W144-L448 HydrophobicContact CG-CD2 4Å; M246-L448 HydrophobicContact CE-CB 4.48Å; M246-L448 HydrophobicContact SD-CB 3.69Å; M246-L448 HydrophobicContact SD-CD1 4.02Å; M246-L448 HydrophobicContact SD-CG 4.48Å; Y436-L448 HydrophobicContact CD1-CB 4.17Å; Y436-L448 HydrophobicContact CD1-CD1 3.88Å; Y436-L448 HydrophobicContact CE1-CD1 4.13Å; Y436-L448 PolarHBondContact N-O 3.41Å; Y436-L448 PolarHBondContact O-N 3.38Å; V438-L448 HydrophobicContact CG1-CD1 4.42Å; L448-C471 HydrophobicContact CD2-CB 3.49Å; L448-C471 VanDerWaalsContact CD2-CB 3.49Å
449D92.9Very high92.1Very high25 Ų2532.4 Ų32.413%0.13418%0.175CC..  trans-101.7114.2-174.2-175.6-8.7000110.7W144 Y447 H451 K475W144-D449 WeakPolarHBondContact CZ2-O 3.34Å; W144-D449 PolarHBondContact NE1-O 3.07Å; Y447-D449 HydrophobicContact CD2-CB 4.32Å; Y447-D449 HydrophobicContact CE2-CB 4.01Å; D449-H451 VanDerWaalsContact C-N 3.27Å; D449-H451 PolarHBondContact O-N 3.45Å; D449-H451 WeakPolarHBondContact OD1-CB 3.48Å; D449-H451 IonicContact OD1-CE1 3.65Å; D449-H451 IonicContact OD1-CG 2.69Å; D449-H451 PolarHBondContact OD1-N 2.96Å; D449-H451 IonicContact OD1-ND1 3.69Å; D449-H451 PolarHBondContact OD1-ND1 2.7Å; D449-K475 HydrophobicContact CB-CD 3.89Å; D449-K475 WeakPolarHBondContact OD2-CE 3.39Å; D449-K475 IonicContact OD2-NZ 3.69Å; D449-K475 PolarHBondContact OD2-NZ 3.3Å
450P95.6Very high90.9Very high0 Ų037.3 Ų37.30%020%0.201CC..THydrogen-bonded Turntrans-78-6-177.434.2-38.4000114T146 Y147 C239 R242 M246 S434 F452T146-P450 CarbonylContact C-O 3.5Å; T146-P450 VanDerWaalsContact CA-O 3.29Å; T146-P450 WeakPolarHBondContact CA-O 3.39Å; Y147-P450 PolarHBondContact N-O 3.41Å; C239-P450 HydrophobicContact CB-CG 3.86Å; R242-P450 HydrophobicContact CB-CB 3.65Å; R242-P450 HydrophobicContact CG-CB 4.39Å; M246-P450 HydrophobicContact CE-CB 4Å; S434-P450 VanDerWaalsContact O-CD 3.29Å; S434-P450 WeakPolarHBondContact O-CD 2.94Å; S434-P450 VanDerWaalsContact O-CG 3.22Å; S434-P450 WeakPolarHBondContact O-CG 3.19Å; P450-F452 PolarHBondContact O-N 3.26Å; P450-F452 VanDerWaalsContact O-N 3.13Å
451H90.4Very high89.8Confident33 Ų3339.9 Ų39.915%0.15322%0.219CC..THydrogen-bonded Turntrans-77.51.3-166.2-59.591.4000115Y147 K432 S434 D449Y147-H451 HydrophobicContact CD2-CB 4.43Å; Y147-H451 WeakPolarHBondContact CD2-O 3.29Å; Y147-H451 HydrophobicContact CE2-CB 4Å; Y147-H451 AromaticContact CE2-CD2 3.79Å; Y147-H451 AromaticContact CZ-CD2 3.86Å; Y147-H451 PolarHBondContact OH-CD2 3.38Å; K432-H451 VanDerWaalsContact C-NE2 3.33Å; K432-H451 PolarHBondContact O-NE2 3.25Å; S434-H451 PolarHBondContact O-CE1 2.72Å; D449-H451 VanDerWaalsContact C-N 3.27Å; D449-H451 PolarHBondContact O-N 3.45Å; D449-H451 WeakPolarHBondContact OD1-CB 3.48Å; D449-H451 IonicContact OD1-CE1 3.65Å; D449-H451 IonicContact OD1-CG 2.69Å; D449-H451 PolarHBondContact OD1-N 2.96Å; D449-H451 IonicContact OD1-ND1 3.69Å; D449-H451 PolarHBondContact OD1-ND1 2.7Å
452F85.1Confident88.7Confident21 Ų2144 Ų449%0.09225%0.247CC..  trans-81.3114.8177.8-175.7-115.9000111.2N84 F88 W90 W144 T146 Y147 P450 Q454N84-F452 HydrophobicContact CB-CZ 4.46Å; N84-F452 WeakPolarHBondContact O-CZ 3.44Å; F88-F452 HydrophobicContact CB-CE2 3.54Å; F88-F452 HydrophobicContact CB-CZ 3.86Å; F88-F452 HydrophobicContact CD2-CE1 4.17Å; F88-F452 AromaticContact CD2-CE2 3.94Å; F88-F452 HydrophobicContact CD2-CE2 3.94Å; F88-F452 AromaticContact CD2-CZ 3.29Å; F88-F452 HydrophobicContact CD2-CZ 3.29Å; F88-F452 HydrophobicContact CE2-CE1 4.38Å; F88-F452 AromaticContact CE2-CZ 3.9Å; F88-F452 HydrophobicContact CE2-CZ 3.9Å; F88-F452 AromaticContact CG-CE2 3.96Å; F88-F452 HydrophobicContact CG-CE2 3.96Å; F88-F452 AromaticContact CG-CZ 3.74Å; F88-F452 HydrophobicContact CG-CZ 3.74Å; W90-F452 AromaticContact CD1-CD2 3.95Å; W90-F452 AromaticContact NE1-CD2 3.89Å; W144-F452 HydrophobicContact CH2-CB 3.98Å; W144-F452 AromaticContact CH2-CD1 3.73Å; W144-F452 HydrophobicContact CH2-CD1 3.73Å; W144-F452 HydrophobicContact CH2-CE1 4.49Å; W144-F452 HydrophobicContact CH2-CG 4.06Å; W144-F452 HydrophobicContact CZ2-CB 4Å; W144-F452 HydrophobicContact CZ3-CD1 4.24Å; T146-F452 WeakPolarHBondContact CB-O 3.43Å; T146-F452 HydrophobicContact CG2-CB 4.19Å; T146-F452 PolarHBondContact OG1-O 2.79Å; Y147-F452 PolarHBondContact N-O 3.18Å; P450-F452 PolarHBondContact O-N 3.26Å; P450-F452 VanDerWaalsContact O-N 3.13Å; F452-Q454 HydrophobicContact CD1-CG 3.3Å; F452-Q454 HydrophobicContact CE1-CG 3.35Å; F452-Q454 HydrophobicContact CG-CG 4.41Å; F452-Q454 HydrophobicContact CZ-CG 4.49Å
453T86.8Confident87.7Confident30 Ų3046.2 Ų46.218%0.18425%0.252CS..  trans-79.4127178.1-50.80000110.9Y147 D149 C235Y147-T453 WeakPolarHBondContact O-CA 3.38Å; D149-T453 HydrophobicContact CB-CG2 4.28Å; D149-T453 WeakPolarHBondContact OD2-CG2 3.41Å; C235-T453 PolarHBondContact SG-OG1 2.69Å
454Q88.4Confident87Confident15 Ų1543.3 Ų43.37%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-127.1150.6177.1-60.8-173.380.600109.8T146 Y147 R148 D149 F452 T456 S468T146-Q454 PolarHBondContact OG1-NE2 3.41Å; Y147-Q454 PolarHBondContact O-N 3.18Å; R148-Q454 WeakPolarHBondContact CA-O 3.07Å; R148-Q454 WeakPolarHBondContact CD-O 3.37Å; D149-Q454 PolarHBondContact N-O 2.9Å; F452-Q454 HydrophobicContact CD1-CG 3.3Å; F452-Q454 HydrophobicContact CE1-CG 3.35Å; F452-Q454 HydrophobicContact CG-CG 4.41Å; F452-Q454 HydrophobicContact CZ-CG 4.49Å; Q454-T456 PolarHBondContact O-N 3.45Å; Q454-S468 PolarHBondContact NE2-O 3.19Å; Q454-S468 VanDerWaalsContact OE1-CB 3.24Å; Q454-S468 PolarHBondContact OE1-O 2.96Å
455P85.8Confident86.4Confident51 Ų5143.8 Ų43.833%0.33124%0.239SC..EExtended strand (participates in β ladder)trans-60.7141.2173.425.3-33.6000111.4R148 D149 Q457R148-P455 PolarHBondContact NH1-O 3.43Å; D149-P455 VanDerWaalsContact OD1-CA 3.27Å; D149-P455 WeakPolarHBondContact OD1-CA 3.4Å; P455-Q457 PolarHBondContact O-NE2 3.46Å
456T89.2Confident85.9Confident32 Ų3245 Ų4520%0.19625%0.246CC..PPolyproline II helixtrans-57.3138166.7-63.50000109.5D149 F151 D282 Q454D149-T456 WeakPolarHBondContact O-CB 3.43Å; D149-T456 PolarHBondContact O-N 3.39Å; D149-T456 PolarHBondContact O-OG1 3.26Å; F151-T456 HydrophobicContact CB-CG2 4.03Å; F151-T456 WeakPolarHBondContact CB-OG1 3.36Å; F151-T456 PolarHBondContact N-OG1 3.43Å; D282-T456 HydrophobicContact CB-CG2 4.29Å; Q454-T456 PolarHBondContact O-N 3.45Å
457Q86.7Confident85.3Confident66 Ų6650.2 Ų50.231%0.30827%0.274SS..PPolyproline II helixtrans-101.1136.9-178.9-64.2-65-56.900109.7N281 P455 L459 W469N281-Q457 PolarHBondContact OD1-O 3.03Å; P455-Q457 PolarHBondContact O-NE2 3.46Å; Q457-L459 HydrophobicContact CB-CD2 4.07Å; Q457-L459 PolarHBondContact O-N 3.38Å; Q457-W469 HydrophobicContact CB-CH2 3.5Å; Q457-W469 HydrophobicContact CB-CZ2 4.16Å; Q457-W469 HydrophobicContact CB-CZ3 4.38Å; Q457-W469 HydrophobicContact CG-CH2 3.51Å; Q457-W469 HydrophobicContact CG-CZ2 4.22Å; Q457-W469 HydrophobicContact CG-CZ3 4.02Å
458N81.7Confident84.8Confident109 Ų10949.3 Ų49.358%0.58327%0.273SS*.  trans-82.2115.6170.3-172.9-26.4000109.4N460N458-N460 PolarHBondContact ND2-ND2 3.34Å; N458-N460 WeakPolarHBondContact OD1-CB 3.46Å; N458-N460 PolarHBondContact OD1-N 2.78Å; N458-N460 PolarHBondContact OD1-ND2 3.06Å; N458-N460 VanDerWaalsContact OD1-ND2 3.12Å; N458-N460 PolarHBondContact OD1-OD1 3.13Å
459L85.6Confident84.6Confident15 Ų1549.7 Ų49.78%0.07927%0.274CS..  trans-97.921.8-179.1-55.9-166.1000114I277 K278 N281 Q457 S461 F464 W469I277-L459 HydrophobicContact CG2-CD1 4.22Å; K278-L459 HydrophobicContact CG-CD1 4.14Å; N281-L459 HydrophobicContact CB-CD1 3.56Å; N281-L459 HydrophobicContact CB-CG 4.25Å; Q457-L459 HydrophobicContact CB-CD2 4.07Å; Q457-L459 PolarHBondContact O-N 3.38Å; L459-S461 VanDerWaalsContact C-N 3.25Å; L459-S461 PolarHBondContact O-N 2.92Å; L459-F464 HydrophobicContact CB-CD1 4.34Å; L459-F464 HydrophobicContact CB-CE1 4.34Å; L459-F464 HydrophobicContact CD1-CE1 4.2Å; L459-F464 HydrophobicContact CD1-CE2 4.21Å; L459-F464 HydrophobicContact CD1-CZ 3.9Å; L459-F464 HydrophobicContact CD2-CB 4.09Å; L459-F464 HydrophobicContact CD2-CD1 3.78Å; L459-F464 HydrophobicContact CD2-CD2 3.4Å; L459-F464 HydrophobicContact CD2-CE1 3.99Å; L459-F464 HydrophobicContact CD2-CE2 3.63Å; L459-F464 HydrophobicContact CD2-CG 3.48Å; L459-F464 VanDerWaalsContact CD2-CG 3.48Å; L459-F464 HydrophobicContact CD2-CZ 3.92Å; L459-F464 HydrophobicContact CG-CE1 4.43Å; L459-F464 HydrophobicContact CG-CZ 4.45Å; L459-W469 HydrophobicContact CD2-CH2 3.72Å; L459-W469 HydrophobicContact CD2-CZ2 4.36Å
460N73.1Confident84.5Confident103 Ų10349.5 Ų49.555%0.55127%0.272SS*.  trans-66.2-27.9178.9-68.3-9.8000112.4N458N458-N460 PolarHBondContact ND2-ND2 3.34Å; N458-N460 WeakPolarHBondContact OD1-CB 3.46Å; N458-N460 PolarHBondContact OD1-N 2.78Å; N458-N460 PolarHBondContact OD1-ND2 3.06Å; N458-N460 VanDerWaalsContact OD1-ND2 3.12Å; N458-N460 PolarHBondContact OD1-OD1 3.13Å
461S74.8Confident84.1Confident57 Ų5750.2 Ų50.240%0.39928%0.277SS..SBendtrans-73.2140.4175.3172.80000111.4L459 K463L459-S461 VanDerWaalsContact C-N 3.25Å; L459-S461 PolarHBondContact O-N 2.92Å; S461-K463 WeakPolarHBondContact CB-O 3.28Å; S461-K463 PolarHBondContact O-N 2.74Å; S461-K463 PolarHBondContact OG-N 3.25Å; S461-K463 PolarHBondContact OG-O 2.79Å
462P71.3Confident83.8Confident100 Ų10050.2 Ų50.265%0.64928%0.28SS*.SBendtrans-58.4-30.9172.223.7-33.2000112.3
463K72.6Confident83.8Confident138 Ų13849.8 Ų49.860%0.628%0.278SS*.SBendtrans-119120.6175-60.4-163.8-177.3-1550110.3D269 S461D269-K463 IonicContact OD1-NZ 2.81Å; D269-K463 PolarHBondContact OD1-NZ 2.8Å; S461-K463 WeakPolarHBondContact CB-O 3.28Å; S461-K463 PolarHBondContact O-N 2.74Å; S461-K463 PolarHBondContact OG-N 3.25Å; S461-K463 PolarHBondContact OG-O 2.79Å
464F82.5Confident83.8Confident30 Ų3048.5 Ų48.513%0.13227%0.271CS..  trans-130.4157.3175.856.4-93.5000110L274 I277 K278 L459 V466 W469L274-F464 HydrophobicContact CB-CZ 4.4Å; L274-F464 HydrophobicContact CD2-CE1 4.33Å; L274-F464 HydrophobicContact CD2-CE2 4.19Å; L274-F464 HydrophobicContact CD2-CZ 3.93Å; I277-F464 HydrophobicContact CB-CE2 4.41Å; I277-F464 HydrophobicContact CB-CZ 4.25Å; I277-F464 HydrophobicContact CG2-CE2 3.81Å; I277-F464 HydrophobicContact CG2-CZ 3.97Å; K278-F464 HydrophobicContact CD-CE1 4.42Å; K278-F464 HydrophobicContact CG-CE1 3.96Å; K278-F464 HydrophobicContact CG-CZ 4.18Å; L459-F464 HydrophobicContact CB-CD1 4.34Å; L459-F464 HydrophobicContact CB-CE1 4.34Å; L459-F464 HydrophobicContact CD1-CE1 4.2Å; L459-F464 HydrophobicContact CD1-CE2 4.21Å; L459-F464 HydrophobicContact CD1-CZ 3.9Å; L459-F464 HydrophobicContact CD2-CB 4.09Å; L459-F464 HydrophobicContact CD2-CD1 3.78Å; L459-F464 HydrophobicContact CD2-CD2 3.4Å; L459-F464 HydrophobicContact CD2-CE1 3.99Å; L459-F464 HydrophobicContact CD2-CE2 3.63Å; L459-F464 HydrophobicContact CD2-CG 3.48Å; L459-F464 VanDerWaalsContact CD2-CG 3.48Å; L459-F464 HydrophobicContact CD2-CZ 3.92Å; L459-F464 HydrophobicContact CG-CE1 4.43Å; L459-F464 HydrophobicContact CG-CZ 4.45Å; F464-V466 HydrophobicContact CD2-CG1 4.33Å; F464-V466 HydrophobicContact CE2-CG1 3.99Å; F464-V466 PolarHBondContact O-N 2.73Å; F464-W469 HydrophobicContact CD2-CH2 4.32Å; F464-W469 HydrophobicContact CD2-CZ3 4.07Å; F464-W469 HydrophobicContact CE2-CH2 4.27Å; F464-W469 HydrophobicContact CE2-CZ3 4.1Å
465S82.5Confident83.9Confident59 Ų5950.4 Ų50.441%0.41328%0.279SS..  trans-68.6129.7175.2175.10000109.9D467 W469S465-D467 PolarHBondContact OG-N 2.85Å; S465-D467 PolarHBondContact OG-OD2 3.32Å; S465-W469 VanDerWaalsContact O-CZ3 3.26Å; S465-W469 WeakPolarHBondContact O-CZ3 3.49Å
466V86.9Confident84.2Confident26 Ų2650.6 Ų50.616%0.15828%0.279CS..  trans-92.10.2176.6-62.80000113.3L274 I277 F464 S468 W469 H470L274-V466 HydrophobicContact CD2-CG1 3.42Å; L274-V466 VanDerWaalsContact CD2-CG1 3.42Å; I277-V466 HydrophobicContact CD1-CB 4.1Å; I277-V466 HydrophobicContact CD1-CG1 3.69Å; F464-V466 HydrophobicContact CD2-CG1 4.33Å; F464-V466 HydrophobicContact CE2-CG1 3.99Å; F464-V466 PolarHBondContact O-N 2.73Å; V466-S468 PolarHBondContact O-N 2.93Å; V466-W469 PolarHBondContact O-N 2.91Å; V466-H470 PolarHBondContact O-CD2 2.93Å
467D85.2Confident84.5Confident109 Ų10950.8 Ų50.858%0.58328%0.278SS*.G310 helixtrans-57.5-32.6-169.8-62.4-28.7000112.7S465 W469 H470S465-D467 PolarHBondContact OG-N 2.85Å; S465-D467 PolarHBondContact OG-OD2 3.32Å; D467-W469 PolarHBondContact O-N 3.48Å; D467-H470 PolarHBondContact O-N 2.91Å
468S87.9Confident84.9Confident15 Ų1550 Ų5011%0.10528%0.28CS..G310 helixtrans-72-10.1-179.186.20000114.4R148 Q454 V466R148-S468 PolarHBondContact NH1-OG 3.49Å; R148-S468 PolarHBondContact NH2-O 2.9Å; R148-S468 PolarHBondContact NH2-OG 3.35Å; Q454-S468 PolarHBondContact NE2-O 3.19Å; Q454-S468 VanDerWaalsContact OE1-CB 3.24Å; Q454-S468 PolarHBondContact OE1-O 2.96Å; V466-S468 PolarHBondContact O-N 2.93Å
469W92.3Very high85.7Confident10 Ų1045 Ų454%0.03825%0.253CS..G310 helixtrans-107.111.7179.4-67.8-90.5000113.3L143 W144 F145 I277 Q457 L459 F464 S465 V466 D467L143-W469 CarbonylContact C-O 3.34Å; L143-W469 WeakPolarHBondContact CA-O 3.45Å; L143-W469 HydrophobicContact CD2-CB 4.26Å; W144-W469 PolarHBondContact N-O 2.98Å; W144-W469 WeakPolarHBondContact O-CA 3.21Å; F145-W469 AromaticContact CD1-CD1 3.83Å; F145-W469 AromaticContact CE1-CD1 3.62Å; F145-W469 AromaticContact CE1-NE1 3.87Å; I277-W469 HydrophobicContact CD1-CB 4.42Å; I277-W469 HydrophobicContact CG2-CD2 3.79Å; I277-W469 HydrophobicContact CG2-CE3 4.25Å; I277-W469 HydrophobicContact CG2-CG 4.2Å; I277-W469 HydrophobicContact CG2-CH2 4.27Å; I277-W469 HydrophobicContact CG2-CZ2 3.83Å; I277-W469 HydrophobicContact CG2-CZ3 4.48Å; Q457-W469 HydrophobicContact CB-CH2 3.5Å; Q457-W469 HydrophobicContact CB-CZ2 4.16Å; Q457-W469 HydrophobicContact CB-CZ3 4.38Å; Q457-W469 HydrophobicContact CG-CH2 3.51Å; Q457-W469 HydrophobicContact CG-CZ2 4.22Å; Q457-W469 HydrophobicContact CG-CZ3 4.02Å; L459-W469 HydrophobicContact CD2-CH2 3.72Å; L459-W469 HydrophobicContact CD2-CZ2 4.36Å; F464-W469 HydrophobicContact CD2-CH2 4.32Å; F464-W469 HydrophobicContact CD2-CZ3 4.07Å; F464-W469 HydrophobicContact CE2-CH2 4.27Å; F464-W469 HydrophobicContact CE2-CZ3 4.1Å; S465-W469 VanDerWaalsContact O-CZ3 3.26Å; S465-W469 WeakPolarHBondContact O-CZ3 3.49Å; V466-W469 PolarHBondContact O-N 2.91Å; D467-W469 PolarHBondContact O-N 3.48Å
470H90.9Very high86.3Confident21 Ų2146.1 Ų46.110%0.09727%0.265CS..BIsolated β-bridgetrans-130.2136.5179.5-70.6-71.7000111.1A140 S141 R142 L263 V466 D467A140-H470 PolarHBondContact O-ND1 2.87Å; A140-H470 VanDerWaalsContact O-ND1 3.08Å; S141-H470 PolarHBondContact O-CE1 3.14Å; S141-H470 PolarHBondContact O-ND1 3.02Å; R142-H470 PolarHBondContact O-ND1 2.76Å; L263-H470 HydrophobicContact CD2-CB 4.47Å; V466-H470 PolarHBondContact O-CD2 2.93Å; D467-H470 PolarHBondContact O-N 2.91Å
471C87.4Confident87.4Confident15 Ų1544.8 Ų44.810%0.10126%0.258CS..  trans-113.3111.5178.8-164.90000109.6F139 A140 W144 L448 I473F139-C471 WeakPolarHBondContact CD1-O 3.33Å; F139-C471 HydrophobicContact CE1-CB 4.28Å; F139-C471 VanDerWaalsContact CE1-O 3.28Å; F139-C471 WeakPolarHBondContact CE1-O 3.45Å; A140-C471 WeakPolarHBondContact CA-O 3.47Å; W144-C471 HydrophobicContact CB-CB 4.11Å; W144-C471 HydrophobicContact CD2-CB 3.54Å; W144-C471 HydrophobicContact CE3-CB 3.6Å; W144-C471 HydrophobicContact CG-CB 3.81Å; W144-C471 HydrophobicContact CZ3-CB 4.21Å; L448-C471 HydrophobicContact CD2-CB 3.49Å; L448-C471 VanDerWaalsContact CD2-CB 3.49Å; C471-I473 VanDerWaalsContact C-N 3.32Å; C471-I473 PolarHBondContact O-N 3.3Å; C471-I473 PolarHBondContact SG-O 2.91Å
472P83.2Confident88.5Confident32 Ų3242.1 Ų42.121%0.20824%0.239CC..SBendtrans-75.9-20.3179.828.6-33.3000113.1F73 W95F73-P472 HydrophobicContact CE1-CB 4.28Å; W95-P472 WeakPolarHBondContact CH2-O 3.5Å; W95-P472 WeakPolarHBondContact CZ2-O 3.38Å
473I84.7Confident89.7Confident12 Ų1238.3 Ų38.36%0.06221%0.213CC..SBendtrans-115.9115.3-172.5-56.1-168.8000110.6S81 W95 C471S81-I473 WeakPolarHBondContact OG-CD1 3.34Å; S81-I473 WeakPolarHBondContact OG-CG1 3.14Å; W95-I473 HydrophobicContact CG-CG2 4.33Å; C471-I473 VanDerWaalsContact C-N 3.32Å; C471-I473 PolarHBondContact O-N 3.3Å; C471-I473 PolarHBondContact SG-O 2.91Å
474P87.3Confident90.9Very high3 Ų331.8 Ų31.82%0.01919%0.185CC..  trans-69150.8175.326.3-32.1000112.5W95 P96 F98 F135 F139 I446W95-P474 HydrophobicContact CE3-CG 3.94Å; W95-P474 HydrophobicContact CH2-CG 4.37Å; W95-P474 HydrophobicContact CZ3-CG 3.71Å; P96-P474 WeakPolarHBondContact CD-O 3.2Å; P96-P474 HydrophobicContact CG-CG 4.15Å; P96-P474 WeakPolarHBondContact CG-O 3.33Å; F98-P474 HydrophobicContact CE2-CG 3.89Å; F98-P474 HydrophobicContact CZ-CB 4.44Å; F98-P474 HydrophobicContact CZ-CG 3.85Å; F135-P474 HydrophobicContact CZ-CG 4.39Å; F139-P474 HydrophobicContact CD1-CB 4.08Å; F139-P474 HydrophobicContact CD1-CG 4.41Å; F139-P474 HydrophobicContact CD2-CB 4Å; F139-P474 VanDerWaalsContact CE1-CA 3.42Å; F139-P474 HydrophobicContact CE1-CB 3.76Å; F139-P474 HydrophobicContact CE1-CG 4.43Å; F139-P474 HydrophobicContact CE2-CB 3.67Å; F139-P474 HydrophobicContact CG-CB 4.21Å; F139-P474 HydrophobicContact CZ-CB 3.55Å; I446-P474 HydrophobicContact CG2-CB 3.75Å
475K89.8Confident91.5Very high55 Ų5531.6 Ų31.624%0.23919%0.188CC..EExtended strand (participates in β ladder)trans-102.4148.8164-63.2-162-174.3-175.10110.5I446 Y447 D449I446-K475 WeakPolarHBondContact CA-O 3.35Å; Y447-K475 HydrophobicContact CD1-CB 4.1Å; Y447-K475 WeakPolarHBondContact CD1-O 3.19Å; Y447-K475 HydrophobicContact CD2-CB 4.17Å; Y447-K475 HydrophobicContact CE1-CB 3.61Å; Y447-K475 HydrophobicContact CE2-CB 3.69Å; Y447-K475 HydrophobicContact CE2-CD 4.01Å; Y447-K475 HydrophobicContact CE2-CG 4.4Å; Y447-K475 HydrophobicContact CG-CB 4.36Å; Y447-K475 PolarHBondContact N-O 3.38Å; Y447-K475 PolarHBondContact O-N 3.13Å; D449-K475 HydrophobicContact CB-CD 3.89Å; D449-K475 WeakPolarHBondContact OD2-CE 3.39Å; D449-K475 IonicContact OD2-NZ 3.69Å; D449-K475 PolarHBondContact OD2-NZ 3.3Å
476T93.2Very high92.2Very high55 Ų5528.9 Ų28.934%0.33717%0.168SC..EExtended strand (participates in β ladder)trans-124.7152.3175.958.50000112.4P96 F98 L445 I446P96-T476 HydrophobicContact CB-CG2 3.82Å; P96-T476 WeakPolarHBondContact CB-OG1 3.4Å; P96-T476 HydrophobicContact CG-CG2 3.71Å; F98-T476 HydrophobicContact CZ-CG2 4.35Å; L445-T476 CarbonylContact O-C 3.58Å; L445-T476 WeakPolarHBondContact O-CA 3.43Å; I446-T476 HydrophobicContact CG1-CG2 4.13Å
477M94.1Very high92.8Very high36 Ų3627.6 Ų27.618%0.17716%0.161CC..EExtended strand (participates in β ladder)trans-150.5155.117167.1175.8-143.300110.7Y437 S444 L445 Y447 A479 L482Y437-M477 HydrophobicContact CD1-CE 4.4Å; Y437-M477 HydrophobicContact CE1-CE 3.31Å; Y437-M477 HydrophobicContact CE1-CG 4.27Å; Y437-M477 HydrophobicContact CE1-SD 3.72Å; Y437-M477 VanDerWaalsContact CZ-CE 3.49Å; Y437-M477 WeakPolarHBondContact OH-CE 3.06Å; S444-M477 CarbonylContact C-O 3.55Å; S444-M477 WeakPolarHBondContact CA-O 3.21Å; L445-M477 HydrophobicContact CB-CG 4.3Å; L445-M477 HydrophobicContact CD1-CE 3.83Å; L445-M477 PolarHBondContact N-O 3.26Å; L445-M477 PolarHBondContact O-N 3.37Å; Y447-M477 HydrophobicContact CD1-CG 4.17Å; Y447-M477 HydrophobicContact CE1-CB 4.02Å; Y447-M477 HydrophobicContact CE1-CG 3.88Å; Y447-M477 HydrophobicContact CE1-SD 4.26Å; M477-A479 PolarHBondContact O-N 3.49Å; M477-L482 HydrophobicContact CE-CB 3.95Å; M477-L482 HydrophobicContact CE-CD1 3.82Å
478S96.9Very high93.4Very high51 Ų5122.4 Ų22.436%0.35713%0.133SC..EExtended strand (participates in β ladder)trans-59.9133.5171.4178.40000110.9A480 N481S478-A480 PolarHBondContact O-N 3.4Å; S478-A480 PolarHBondContact OG-N 2.91Å; S478-N481 WeakPolarHBondContact O-CB 3.27Å; S478-N481 PolarHBondContact O-N 3.02Å
479A97.8Very high93.9Very high2 Ų221.7 Ų21.72%0.01713%0.128CC..G310 helixtrans-57.6-30.4173.900000112.1I406 I411 L415 N443 L445 M477 N481 L482I406-A479 WeakPolarHBondContact CG2-O 3.31Å; I411-A479 HydrophobicContact CG2-CB 3.95Å; L415-A479 HydrophobicContact CD2-CB 4.23Å; N443-A479 WeakPolarHBondContact O-CB 3.41Å; N443-A479 PolarHBondContact O-N 3.1Å; L445-A479 HydrophobicContact CD1-CB 4.19Å; L445-A479 HydrophobicContact CD2-CB 4.14Å; L445-A479 HydrophobicContact CG-CB 3.88Å; M477-A479 PolarHBondContact O-N 3.49Å; A479-N481 PolarHBondContact O-N 3.03Å; A479-N481 VanDerWaalsContact O-N 3.16Å; A479-L482 WeakPolarHBondContact O-CB 3.36Å; A479-L482 PolarHBondContact O-N 3.42Å
480A97.3Very high94.2Very high39 Ų3921.2 Ų21.232%0.32213%0.126SC..G310 helixtrans-64.9-15.7175.700000114I411 S478I411-A480 HydrophobicContact CD1-CB 4.03Å; S478-A480 PolarHBondContact O-N 3.4Å; S478-A480 PolarHBondContact OG-N 2.91Å
481N96.7Very high94.6Very high76 Ų7620.5 Ų20.541%0.40612%0.123SC..G310 helixtrans-94.2-1.6176-64.2-24.6000112.9R405 S478 A479 N483R405-N481 PolarHBondContact NH1-OD1 3.27Å; S478-N481 WeakPolarHBondContact O-CB 3.27Å; S478-N481 PolarHBondContact O-N 3.02Å; A479-N481 PolarHBondContact O-N 3.03Å; A479-N481 VanDerWaalsContact O-N 3.16Å; N481-N483 PolarHBondContact O-N 3.02Å
482L97.6Very high95.1Very high0 Ų019.9 Ų19.90%012%0.118CC..  trans-59.7135.8178.6-17863.2000110.6R405 I406 V414 L426 Y437 L445 M477 A479R405-L482 CarbonylContact C-O 3.54Å; R405-L482 WeakPolarHBondContact CA-O 3.45Å; I406-L482 HydrophobicContact CB-CB 4.32Å; I406-L482 HydrophobicContact CD1-CD2 4.08Å; I406-L482 HydrophobicContact CG2-CB 4.17Å; I406-L482 PolarHBondContact N-O 3Å; V414-L482 HydrophobicContact CG1-CD2 3.85Å; V414-L482 HydrophobicContact CG2-CD2 4.09Å; L426-L482 HydrophobicContact CD2-CD1 4.36Å; Y437-L482 HydrophobicContact CD2-CD1 4.16Å; Y437-L482 HydrophobicContact CE1-CD1 4.16Å; Y437-L482 HydrophobicContact CE2-CD1 3.51Å; L445-L482 HydrophobicContact CD1-CB 4.03Å; L445-L482 HydrophobicContact CD1-CD1 4.07Å; L445-L482 HydrophobicContact CD1-CD2 4.03Å; L445-L482 HydrophobicContact CD1-CG 4.27Å; M477-L482 HydrophobicContact CE-CB 3.95Å; M477-L482 HydrophobicContact CE-CD1 3.82Å; A479-L482 WeakPolarHBondContact O-CB 3.36Å; A479-L482 PolarHBondContact O-N 3.42Å
483N97Very high95.8Very high20 Ų2024.3 Ų24.311%0.10713%0.131CC..  trans-70.1136.4172.7-171.8-85.5000109.6G429 N481 S485 C486G429-N483 PolarHBondContact O-OD1 3.29Å; N481-N483 PolarHBondContact O-N 3.02Å; N483-S485 PolarHBondContact O-N 2.91Å; N483-S485 WeakPolarHBondContact OD1-CB 3.47Å; N483-S485 PolarHBondContact OD1-N 3.02Å; N483-C486 PolarHBondContact O-SG 3.08Å
484P96.9Very high96.3Very high2 Ų227 Ų271%0.01315%0.148CC..SBendtrans-68.8-21.1-175.226.1-33.6000113.9M399 F400 G401 G403 C486M399-P484 CarbonylContact C-O 3.52Å; M399-P484 WeakPolarHBondContact CA-O 3.47Å; M399-P484 HydrophobicContact SD-CB 4Å; M399-P484 HydrophobicContact SD-CG 4.26Å; F400-P484 HydrophobicContact CB-CB 4.36Å; F400-P484 PolarHBondContact N-O 2.97Å; G401-P484 WeakPolarHBondContact O-CB 3.47Å; G403-P484 WeakPolarHBondContact O-CD 3.48Å; G403-P484 WeakPolarHBondContact O-CG 3.26Å; P484-C486 PolarHBondContact O-N 2.7Å
485S96.5Very high96.6Very high26 Ų2634.2 Ų34.218%0.18218%0.175CC..EExtended strand (participates in β ladder)trans-81.3110.1176.3-1700000110.1G428 G429 N483G428-S485 WeakPolarHBondContact CA-O 3.19Å; G429-S485 PolarHBondContact N-O 2.93Å; N483-S485 PolarHBondContact O-N 2.91Å; N483-S485 WeakPolarHBondContact OD1-CB 3.47Å; N483-S485 PolarHBondContact OD1-N 3.02Å
486C97.8Very high96.8Very high1 Ų133.4 Ų33.41%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-140.6169.6-174.9-68.30000111.5P309 L398 F400 L426 I427 N483 P484P309-C486 VanDerWaalsContact CB-C 3.5Å; L398-C486 PolarHBondContact N-O 2.98Å; L398-C486 PolarHBondContact O-N 3.05Å; F400-C486 HydrophobicContact CD2-CB 4.18Å; F400-C486 HydrophobicContact CE2-CB 3.9Å; L426-C486 HydrophobicContact CD2-CB 4.14Å; L426-C486 HydrophobicContact CG-CB 4.29Å; I427-C486 CarbonylContact O-C 3.57Å; I427-C486 WeakPolarHBondContact O-CA 3.17Å; N483-C486 PolarHBondContact O-SG 3.08Å; P484-C486 PolarHBondContact O-N 2.7Å
487A98.2Very high97Very high0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-139145159.500000108.9P309 C313 I396 L426 I427P309-A487 HydrophobicContact CB-CB 3.89Å; C313-A487 WeakPolarHBondContact SG-CB 3.44Å; I396-A487 VanDerWaalsContact O-CA 3.29Å; I396-A487 WeakPolarHBondContact O-CA 3.08Å; L426-A487 WeakPolarHBondContact CA-O 3.19Å; I427-A487 HydrophobicContact CD1-CB 4.25Å; I427-A487 HydrophobicContact CG1-CB 3.87Å; I427-A487 PolarHBondContact N-O 3.17Å; I427-A487 PolarHBondContact O-N 3.25Å
488V98.4Very high97.2Very high0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-115144.2179.5-61.90000109.6L395 I396 L398 L417 F423 L426 F490 M509L395-V488 WeakPolarHBondContact CA-O 3.35Å; I396-V488 HydrophobicContact CB-CG2 3.72Å; I396-V488 HydrophobicContact CD1-CG2 4.31Å; I396-V488 HydrophobicContact CG1-CG2 4.24Å; I396-V488 PolarHBondContact N-O 3.13Å; I396-V488 PolarHBondContact O-N 3.27Å; L398-V488 HydrophobicContact CD1-CG1 3.93Å; L398-V488 HydrophobicContact CD1-CG2 3.76Å; L417-V488 HydrophobicContact CD1-CG1 3.65Å; F423-V488 HydrophobicContact CE2-CB 4.4Å; L426-V488 HydrophobicContact CB-CG1 4.16Å; L426-V488 HydrophobicContact CD1-CG1 3.83Å; L426-V488 HydrophobicContact CG-CG1 3.94Å; V488-F490 HydrophobicContact CB-CE2 4.31Å; V488-F490 HydrophobicContact CG2-CD2 4.48Å; V488-F490 HydrophobicContact CG2-CE2 3.75Å; V488-M509 HydrophobicContact CG2-CE 4.01Å
489G98.7Very high97.2Very high0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-115136.3176.400000111.5L394 V424 G425L394-G489 CarbonylContact O-C 3.4Å; L394-G489 WeakPolarHBondContact O-CA 3.29Å; V424-G489 VanDerWaalsContact CG2-O 3.31Å; V424-G489 WeakPolarHBondContact CG2-O 3.41Å; V424-G489 PolarHBondContact N-O 3.21Å; G425-G489 PolarHBondContact O-N 3.34Å
490F98.7Very high97.2Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-125.9140.3168.2-59.7-91.2000109.9L393 L394 I396 L417 D420 A422 F423 V488 L501 L505 L508 M509L393-F490 CarbonylContact C-O 3.49Å; L393-F490 WeakPolarHBondContact CA-O 3.4Å; L393-F490 WeakPolarHBondContact CD1-O 3.29Å; L394-F490 HydrophobicContact CB-CB 4.33Å; L394-F490 HydrophobicContact CD2-CD2 4.46Å; L394-F490 PolarHBondContact N-O 2.72Å; L394-F490 PolarHBondContact O-N 3.38Å; I396-F490 HydrophobicContact CD1-CD2 4.29Å; I396-F490 HydrophobicContact CD1-CE2 4.04Å; L417-F490 HydrophobicContact CD2-CZ 3.99Å; D420-F490 HydrophobicContact CB-CE1 4.4Å; A422-F490 HydrophobicContact CB-CB 4.24Å; A422-F490 HydrophobicContact CB-CD1 4.11Å; A422-F490 CarbonylContact O-C 3.58Å; A422-F490 WeakPolarHBondContact O-CA 3.29Å; F423-F490 HydrophobicContact CB-CD1 4.32Å; F423-F490 HydrophobicContact CB-CE1 4.31Å; F423-F490 HydrophobicContact CD2-CD1 4.42Å; F423-F490 HydrophobicContact CD2-CE1 4.05Å; F423-F490 HydrophobicContact CD2-CZ 4.36Å; V488-F490 HydrophobicContact CB-CE2 4.31Å; V488-F490 HydrophobicContact CG2-CD2 4.48Å; V488-F490 HydrophobicContact CG2-CE2 3.75Å; F490-L501 HydrophobicContact CB-CD2 3.47Å; F490-L501 VanDerWaalsContact CB-CD2 3.47Å; F490-L501 HydrophobicContact CD1-CD1 3.76Å; F490-L501 HydrophobicContact CD1-CD2 4.28Å; F490-L501 HydrophobicContact CE1-CD1 4.12Å; F490-L501 HydrophobicContact CG-CD1 4.15Å; F490-L501 HydrophobicContact CG-CD2 3.92Å; F490-L505 HydrophobicContact CE1-CD1 4.49Å; F490-L505 HydrophobicContact CE2-CD1 3.92Å; F490-L505 HydrophobicContact CZ-CD1 3.83Å; F490-L508 HydrophobicContact CE1-CD2 3.93Å; F490-L508 HydrophobicContact CZ-CD2 4.05Å; F490-M509 HydrophobicContact CE2-CE 3.93Å; F490-M509 HydrophobicContact CZ-CE 3.83Å
491Y98.7Very high97.2Very high5 Ų533.7 Ų33.72%0.0217%0.173CC..EExtended strand (participates in β ladder)trans-121127.5178170.5-90.7000110.3A251 V254 H255 V333 A391 I392 A422 V424 R493A251-Y491 HydrophobicContact CB-CD2 4.27Å; V254-Y491 HydrophobicContact CB-CD1 4.13Å; V254-Y491 HydrophobicContact CB-CE1 4.35Å; V254-Y491 HydrophobicContact CG1-CD1 3.46Å; V254-Y491 VanDerWaalsContact CG1-CD1 3.46Å; V254-Y491 HydrophobicContact CG1-CE1 3.58Å; V254-Y491 HydrophobicContact CG1-CG 4.44Å; H255-Y491 WeakPolarHBondContact CA-OH 3.27Å; H255-Y491 HydrophobicContact CB-CE2 3.82Å; H255-Y491 WeakPolarHBondContact CB-OH 3.23Å; H255-Y491 AromaticContact ND1-CE2 3.77Å; H255-Y491 AromaticContact ND1-CZ 3.62Å; H255-Y491 PolarHBondContact ND1-OH 3.43Å; V333-Y491 HydrophobicContact CG2-CE2 4.49Å; A391-Y491 HydrophobicContact CB-CE2 3.63Å; I392-Y491 WeakPolarHBondContact O-CA 3.33Å; A422-Y491 PolarHBondContact O-N 3.47Å; V424-Y491 VanDerWaalsContact CG1-CB 3.46Å; Y491-R493 HydrophobicContact CE1-CB 3.98Å; Y491-R493 WeakPolarHBondContact OH-CB 3.29Å; Y491-R493 VanDerWaalsContact OH-CD 3.25Å; Y491-R493 WeakPolarHBondContact OH-CD 3.28Å; Y491-R493 PolarHBondContact OH-NE 3.28Å
492C98.5Very high97.2Very high2 Ų230.2 Ų30.21%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-124.7120.5176.2-61.50000108.8A391 I392 E497 L498 L501A391-C492 CarbonylContact C-O 3.36Å; A391-C492 WeakPolarHBondContact CA-O 3.28Å; A391-C492 WeakPolarHBondContact CB-O 3.47Å; I392-C492 PolarHBondContact N-O 3.45Å; I392-C492 PolarHBondContact O-N 2.95Å; C492-E497 HydrophobicContact CB-CB 3.97Å; C492-L498 HydrophobicContact CB-CB 3.9Å; C492-L498 HydrophobicContact CB-CD1 4.37Å; C492-L501 VanDerWaalsContact SG-CD2 3.52Å
493R96.9Very high97.1Very high125 Ų12534.4 Ų34.447%0.47218%0.176SC..SBendtrans-76.3-37.1178.417657.8105.275.61111.7H255 Y491 E497H255-R493 PolarHBondContact ND1-NE 3.32Å; H255-R493 PolarHBondContact O-NH2 3.41Å; Y491-R493 HydrophobicContact CE1-CB 3.98Å; Y491-R493 WeakPolarHBondContact OH-CB 3.29Å; Y491-R493 VanDerWaalsContact OH-CD 3.25Å; Y491-R493 WeakPolarHBondContact OH-CD 3.28Å; Y491-R493 PolarHBondContact OH-NE 3.28Å; R493-E497 PolarHBondContact N-OE2 3.29Å
494T95.3Very high97Very high68 Ų6838.4 Ų38.442%0.41719%0.19SC..SBendtrans-118.7161.1-173.165.60000111.8G496 E497 L498T494-G496 PolarHBondContact O-N 3.11Å; T494-E497 WeakPolarHBondContact CG2-OE1 3.49Å; T494-E497 PolarHBondContact O-N 3.28Å; T494-E497 WeakPolarHBondContact OG1-CG 3.16Å; T494-E497 PolarHBondContact OG1-N 2.86Å; T494-E497 PolarHBondContact OG1-OE1 3.49Å; T494-L498 PolarHBondContact O-N 3.11Å
495R93.2Very high96.9Very high155 Ų15538.3 Ų38.359%0.58519%0.189SC*.Hα-helixtrans-60.8-34172.9-167.8-168.178.5-158.55.5112.2I349 L498 S499I349-R495 HydrophobicContact CD1-CG 4.29Å; R495-L498 PolarHBondContact O-N 2.76Å; R495-S499 PolarHBondContact O-N 3.42Å
496G95.1Very high96.8Very high38 Ų3838.5 Ų38.539%0.39219%0.19SC..Hα-helixtrans-61.6-54.7176.100000110.7T494 L498 S499 D500T494-G496 PolarHBondContact O-N 3.11Å; G496-L498 PolarHBondContact O-N 3.28Å; G496-S499 PolarHBondContact O-N 3.19Å; G496-S499 VanDerWaalsContact O-N 3.13Å; G496-D500 WeakPolarHBondContact O-CB 3.45Å; G496-D500 VanDerWaalsContact O-CG 3.28Å; G496-D500 PolarHBondContact O-N 2.77Å
497E97.3Very high96.5Very high76 Ų7644 Ų4436%0.35522%0.218SC..Hα-helixtrans-55.7-38175.8-72.3161.9-12700112.9C492 R493 T494 L501C492-E497 HydrophobicContact CB-CB 3.97Å; R493-E497 PolarHBondContact N-OE2 3.29Å; T494-E497 WeakPolarHBondContact CG2-OE1 3.49Å; T494-E497 PolarHBondContact O-N 3.28Å; T494-E497 WeakPolarHBondContact OG1-CG 3.16Å; T494-E497 PolarHBondContact OG1-N 2.86Å; T494-E497 PolarHBondContact OG1-OE1 3.49Å; E497-L501 WeakPolarHBondContact O-CB 3.2Å; E497-L501 PolarHBondContact O-N 3.15Å
498L97.7Very high96.3Very high1 Ų145.1 Ų45.11%0.00522%0.224CC..Hα-helixtrans-69.3-44.9177.6-179.662.7000112.4I348 I349 A352 I392 C492 T494 R495 G496 D500 L501 I502I348-L498 HydrophobicContact CD1-CD1 4.02Å; I348-L498 HydrophobicContact CG1-CD1 4.32Å; I348-L498 HydrophobicContact CG1-CD2 4.29Å; I349-L498 HydrophobicContact CD1-CD2 4.01Å; I349-L498 HydrophobicContact CD1-CG 4.19Å; A352-L498 HydrophobicContact CB-CD2 3.53Å; I392-L498 HydrophobicContact CB-CD1 4.38Å; I392-L498 HydrophobicContact CB-CD2 4.46Å; I392-L498 HydrophobicContact CG1-CD2 3.76Å; I392-L498 HydrophobicContact CG2-CD1 4.34Å; C492-L498 HydrophobicContact CB-CB 3.9Å; C492-L498 HydrophobicContact CB-CD1 4.37Å; T494-L498 PolarHBondContact O-N 3.11Å; R495-L498 PolarHBondContact O-N 2.76Å; G496-L498 PolarHBondContact O-N 3.28Å; L498-D500 VanDerWaalsContact C-N 3.32Å; L498-L501 PolarHBondContact O-N 3.47Å; L498-I502 HydrophobicContact CD1-CD1 3.98Å; L498-I502 HydrophobicContact CD1-CG1 4.25Å; L498-I502 HydrophobicContact CG-CD1 3.82Å; L498-I502 HydrophobicContact CG-CG1 4.49Å; L498-I502 WeakPolarHBondContact O-CB 3.18Å; L498-I502 WeakPolarHBondContact O-CD1 3.32Å; L498-I502 WeakPolarHBondContact O-CG1 3.26Å; L498-I502 PolarHBondContact O-N 3.08Å
499S96.7Very high96.1Very high29 Ų2945.1 Ų45.120%0.20322%0.224CC..Hα-helixtrans-59.9-47175.5-168.20000110.3R345 R495 G496 L501 I502 D503R345-S499 PolarHBondContact NH2-OG 2.95Å; R495-S499 PolarHBondContact O-N 3.42Å; G496-S499 PolarHBondContact O-N 3.19Å; G496-S499 VanDerWaalsContact O-N 3.13Å; S499-L501 VanDerWaalsContact C-N 3.32Å; S499-L501 PolarHBondContact O-N 3.41Å; S499-I502 PolarHBondContact O-N 2.93Å; S499-D503 WeakPolarHBondContact O-CB 3.32Å; S499-D503 PolarHBondContact O-N 2.9Å; S499-D503 PolarHBondContact OG-OD2 2.75Å
500D97.4Very high95.8Very high84 Ų8445.8 Ų45.845%0.44923%0.228SC..Hα-helixtrans-59-43.1178.1-71.3-5.2000112G496 L498 R504G496-D500 WeakPolarHBondContact O-CB 3.45Å; G496-D500 VanDerWaalsContact O-CG 3.28Å; G496-D500 PolarHBondContact O-N 2.77Å; L498-D500 VanDerWaalsContact C-N 3.32Å; D500-R504 WeakPolarHBondContact O-CB 3.3Å; D500-R504 VanDerWaalsContact O-CG 3.32Å; D500-R504 WeakPolarHBondContact O-CG 3.33Å; D500-R504 PolarHBondContact O-N 3.18Å; D500-R504 VanDerWaalsContact O-N 3.13Å
501L97.9Very high95.3Very high0 Ų046.1 Ų46.10%023%0.23CC..Hα-helixtrans-61.8-50.7175174.962.8000110.9L394 A422 F490 C492 E497 L498 S499 D503 R504 L505L394-L501 HydrophobicContact CD2-CD2 4.09Å; A422-L501 HydrophobicContact CB-CD1 4.08Å; A422-L501 HydrophobicContact CB-CD2 4.08Å; A422-L501 HydrophobicContact CB-CG 4.47Å; F490-L501 HydrophobicContact CB-CD2 3.47Å; F490-L501 VanDerWaalsContact CB-CD2 3.47Å; F490-L501 HydrophobicContact CD1-CD1 3.76Å; F490-L501 HydrophobicContact CD1-CD2 4.28Å; F490-L501 HydrophobicContact CE1-CD1 4.12Å; F490-L501 HydrophobicContact CG-CD1 4.15Å; F490-L501 HydrophobicContact CG-CD2 3.92Å; C492-L501 VanDerWaalsContact SG-CD2 3.52Å; E497-L501 WeakPolarHBondContact O-CB 3.2Å; E497-L501 PolarHBondContact O-N 3.15Å; L498-L501 PolarHBondContact O-N 3.47Å; S499-L501 VanDerWaalsContact C-N 3.32Å; S499-L501 PolarHBondContact O-N 3.41Å; L501-D503 VanDerWaalsContact C-N 3.28Å; L501-D503 PolarHBondContact O-N 3.36Å; L501-R504 PolarHBondContact O-N 3.4Å; L501-L505 HydrophobicContact CD1-CD1 4.25Å; L501-L505 VanDerWaalsContact O-CB 3.27Å; L501-L505 WeakPolarHBondContact O-CB 3.38Å; L501-L505 PolarHBondContact O-N 3.43Å
502I96.5Very high94.2Very high2 Ų249.6 Ų49.61%0.0126%0.256CS..Hα-helixtrans-57.8-43.2-178-71.3166000110.9R345 I348 I349 L498 S499 P506 V530R345-I502 HydrophobicContact CG-CG2 4.15Å; I348-I502 HydrophobicContact CG2-CD1 3.43Å; I348-I502 VanDerWaalsContact CG2-CD1 3.43Å; I348-I502 HydrophobicContact CG2-CG1 4.44Å; I349-I502 HydrophobicContact CD1-CD1 4.1Å; I349-I502 HydrophobicContact CG1-CD1 4.21Å; L498-I502 HydrophobicContact CD1-CD1 3.98Å; L498-I502 HydrophobicContact CD1-CG1 4.25Å; L498-I502 HydrophobicContact CG-CD1 3.82Å; L498-I502 HydrophobicContact CG-CG1 4.49Å; L498-I502 WeakPolarHBondContact O-CB 3.18Å; L498-I502 WeakPolarHBondContact O-CD1 3.32Å; L498-I502 WeakPolarHBondContact O-CG1 3.26Å; L498-I502 PolarHBondContact O-N 3.08Å; S499-I502 PolarHBondContact O-N 2.93Å; I502-P506 WeakPolarHBondContact O-CD 3.34Å; I502-V530 HydrophobicContact CG2-CB 4.45Å; I502-V530 HydrophobicContact CG2-CG1 3.47Å; I502-V530 VanDerWaalsContact CG2-CG1 3.47Å; I502-V530 HydrophobicContact CG2-CG2 4.2Å
503D95.6Very high92.4Very high88 Ų8852.6 Ų52.647%0.47127%0.271SS..Hα-helixtrans-70.4-32.5-178.1-61.5-24.9000111.6R345 S499 L501R345-D503 IonicContact CZ-OD1 3.65Å; R345-D503 IonicContact NE-OD1 3.54Å; R345-D503 IonicContact NH2-OD1 2.84Å; R345-D503 PolarHBondContact NH2-OD1 2.05Å; R345-D503 IonicContact NH2-OD2 2.69Å; R345-D503 PolarHBondContact NH2-OD2 3.44Å; S499-D503 WeakPolarHBondContact O-CB 3.32Å; S499-D503 PolarHBondContact O-N 2.9Å; S499-D503 PolarHBondContact OG-OD2 2.75Å; L501-D503 VanDerWaalsContact C-N 3.28Å; L501-D503 PolarHBondContact O-N 3.36Å
504R95.2Very high90Very high104 Ų10454.4 Ų54.439%0.39229%0.29SS..Hα-helixtrans-85.1-23.7177.3-67.7-170.1-53.5-108.6-2.3114.5D420 D500 L501 I507 L508D420-R504 IonicContact OD2-NH2 3.85Å; D500-R504 WeakPolarHBondContact O-CB 3.3Å; D500-R504 VanDerWaalsContact O-CG 3.32Å; D500-R504 WeakPolarHBondContact O-CG 3.33Å; D500-R504 PolarHBondContact O-N 3.18Å; D500-R504 VanDerWaalsContact O-N 3.13Å; L501-R504 PolarHBondContact O-N 3.4Å; R504-I507 PolarHBondContact O-N 3.15Å; R504-I507 VanDerWaalsContact O-N 3.1Å; R504-L508 PolarHBondContact O-N 3.15Å
505L95.2Very high87.5Confident0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-60.2-41.7-168-167.965.7000114.4I343 L394 I396 F490 L501 I507 L508 M509 V528I343-L505 HydrophobicContact CD1-CD2 3.29Å; L394-L505 HydrophobicContact CD2-CD2 4.21Å; I396-L505 HydrophobicContact CD1-CD1 4.48Å; I396-L505 HydrophobicContact CD1-CD2 3.82Å; F490-L505 HydrophobicContact CE1-CD1 4.49Å; F490-L505 HydrophobicContact CE2-CD1 3.92Å; F490-L505 HydrophobicContact CZ-CD1 3.83Å; L501-L505 HydrophobicContact CD1-CD1 4.25Å; L501-L505 VanDerWaalsContact O-CB 3.27Å; L501-L505 WeakPolarHBondContact O-CB 3.38Å; L501-L505 PolarHBondContact O-N 3.43Å; L505-I507 VanDerWaalsContact C-N 3.31Å; L505-I507 PolarHBondContact O-N 3.12Å; L505-L508 HydrophobicContact CD1-CD2 4.27Å; L505-L508 PolarHBondContact O-N 3.12Å; L505-M509 HydrophobicContact CD1-CE 3.97Å; L505-M509 HydrophobicContact CD1-CG 3.99Å; L505-M509 HydrophobicContact CG-CG 4.23Å; L505-M509 VanDerWaalsContact O-CB 3.25Å; L505-M509 WeakPolarHBondContact O-CB 3.37Å; L505-M509 VanDerWaalsContact O-CG 3.29Å; L505-M509 WeakPolarHBondContact O-CG 3.36Å; L505-M509 PolarHBondContact O-N 3.22Å; L505-V528 HydrophobicContact CD2-CG1 3.8Å; L505-V528 HydrophobicContact CG-CG1 4.2Å
506P93.2Very high84.9Confident30 Ų3057.3 Ų57.320%0.19531%0.309CS..Hα-helixtrans-56.4-46.1174-26.235.9000111.6I502 M509 S510 F526 V530I502-P506 WeakPolarHBondContact O-CD 3.34Å; P506-M509 CarbonylContact O-C 3.4Å; P506-M509 PolarHBondContact O-N 3.19Å; P506-S510 PolarHBondContact O-N 2.81Å; P506-F526 HydrophobicContact CB-CD1 4.06Å; P506-F526 HydrophobicContact CB-CE1 4.17Å; P506-F526 WeakPolarHBondContact O-CD1 3.37Å; P506-F526 WeakPolarHBondContact O-CE1 3.41Å; P506-V530 HydrophobicContact CG-CB 4.39Å; P506-V530 HydrophobicContact CG-CG2 3.97Å
507I92.2Very high82.5Confident117 Ų11760.2 Ų60.260%0.633%0.329SS*.Hα-helixtrans-65.9-44.8179.4-60170.1000110.9R504 L505 M509 S510R504-I507 PolarHBondContact O-N 3.15Å; R504-I507 VanDerWaalsContact O-N 3.1Å; L505-I507 VanDerWaalsContact C-N 3.31Å; L505-I507 PolarHBondContact O-N 3.12Å; I507-M509 PolarHBondContact O-N 3.3Å; I507-S510 WeakPolarHBondContact O-CB 3.33Å; I507-S510 PolarHBondContact O-N 2.89Å; I507-S510 VanDerWaalsContact O-N 3.17Å; I507-S510 PolarHBondContact O-OG 2.64Å
508L93.6Very high80Confident23 Ų2360.9 Ų60.912%0.1234%0.342CS..Hα-helixtrans-57.5-37.7176.5-177.362000111.6R416 L417 D420 F490 R504 L505R416-L508 HydrophobicContact CB-CD1 3.89Å; R416-L508 PolarHBondContact NH2-O 2.9Å; L417-L508 HydrophobicContact CD2-CD2 4.01Å; L417-L508 HydrophobicContact CD2-CG 4.03Å; D420-L508 HydrophobicContact CB-CD2 3.87Å; F490-L508 HydrophobicContact CE1-CD2 3.93Å; F490-L508 HydrophobicContact CZ-CD2 4.05Å; R504-L508 PolarHBondContact O-N 3.15Å; L505-L508 HydrophobicContact CD1-CD2 4.27Å; L505-L508 PolarHBondContact O-N 3.12Å
509M93.8Very high77.6Confident0 Ų068.2 Ų68.20%039%0.387CS..THydrogen-bonded Turntrans-93.98.5-177.9-65.7-68.3-17500114.2L398 V413 L417 V488 F490 L505 P506 I507 T527 V528L398-M509 HydrophobicContact CD1-CE 4.31Å; L398-M509 HydrophobicContact CD1-SD 4.45Å; V413-M509 HydrophobicContact CG1-SD 4Å; L417-M509 HydrophobicContact CD2-CE 3.39Å; L417-M509 HydrophobicContact CD2-SD 3.89Å; V488-M509 HydrophobicContact CG2-CE 4.01Å; F490-M509 HydrophobicContact CE2-CE 3.93Å; F490-M509 HydrophobicContact CZ-CE 3.83Å; L505-M509 HydrophobicContact CD1-CE 3.97Å; L505-M509 HydrophobicContact CD1-CG 3.99Å; L505-M509 HydrophobicContact CG-CG 4.23Å; L505-M509 VanDerWaalsContact O-CB 3.25Å; L505-M509 WeakPolarHBondContact O-CB 3.37Å; L505-M509 VanDerWaalsContact O-CG 3.29Å; L505-M509 WeakPolarHBondContact O-CG 3.36Å; L505-M509 PolarHBondContact O-N 3.22Å; P506-M509 CarbonylContact O-C 3.4Å; P506-M509 PolarHBondContact O-N 3.19Å; I507-M509 PolarHBondContact O-N 3.3Å; M509-T527 WeakPolarHBondContact O-CB 3.45Å; M509-T527 PolarHBondContact O-N 3.45Å; M509-T527 PolarHBondContact O-OG1 3.43Å; M509-V528 HydrophobicContact CB-CB 4.09Å; M509-V528 HydrophobicContact CB-CG2 4.1Å; M509-V528 HydrophobicContact CE-CG2 4.39Å; M509-V528 HydrophobicContact CG-CB 4.01Å; M509-V528 HydrophobicContact CG-CG2 3.68Å; M509-V528 HydrophobicContact SD-CG2 4.19Å
510S92.8Very high75.3Confident14 Ų1477.1 Ų77.110%0.09842%0.416CS..BIsolated β-bridgetrans-76.3138.2-178.980.40000111.7V413 R416 P506 I507 S512V413-S510 WeakPolarHBondContact CG2-O 3.08Å; R416-S510 PolarHBondContact NH2-O 3.08Å; P506-S510 PolarHBondContact O-N 2.81Å; I507-S510 WeakPolarHBondContact O-CB 3.33Å; I507-S510 PolarHBondContact O-N 2.89Å; I507-S510 VanDerWaalsContact O-N 3.17Å; I507-S510 PolarHBondContact O-OG 2.64Å; S510-S512 PolarHBondContact O-N 2.87Å
511V89.1Confident73Confident7 Ų779 Ų794%0.04244%0.436CS..  trans-85.5114170.4-179.60000108R409 Y410 V413 D513 A525R409-V511 HydrophobicContact CB-CG1 3.94Å; Y410-V511 HydrophobicContact CD1-CG2 3.67Å; Y410-V511 HydrophobicContact CE1-CG2 3.44Å; Y410-V511 VanDerWaalsContact CE1-CG2 3.44Å; V413-V511 HydrophobicContact CG2-CG2 4.16Å; V511-D513 PolarHBondContact O-N 3.21Å; V511-D513 VanDerWaalsContact O-N 3.11Å; V511-A525 PolarHBondContact N-O 3.19Å
512S75.4Confident70.9Confident78 Ų7888.4 Ų88.455%0.54547%0.471SS..  trans-67.4108.9169.1-59.10000108.7S510 N514S510-S512 PolarHBondContact O-N 2.87Å; S512-N514 PolarHBondContact O-N 3.07Å
513D60.2Low69Low65 Ų6593.9 Ų93.935%0.34851%0.507SS..  trans-7099.8167.4-84.8-21.6000107.9V511 L515V511-D513 PolarHBondContact O-N 3.21Å; V511-D513 VanDerWaalsContact O-N 3.11Å; D513-L515 HydrophobicContact CB-CD1 3.93Å; D513-L515 PolarHBondContact O-N 3.47Å
514N46.4Very low67.4Low163 Ų16393.4 Ų93.487%0.87251%0.508SS*.  trans-69.165.3157.5-80.7-11.2000108.5S512S512-N514 PolarHBondContact O-N 3.07Å
515L42.3Very low66.4Low99 Ų9991.2 Ų91.252%0.51851%0.512SS..  trans-91.392.1160.7-95.3112.3000107.4D513 A517D513-L515 HydrophobicContact CB-CD1 3.93Å; D513-L515 PolarHBondContact O-N 3.47Å; L515-A517 PolarHBondContact O-N 3.29Å
516Q39.3Very low65.6Low186 Ų18696 Ų9687%0.86953%0.532SS*.  trans-51.8128.1147.6-70.4-172.1-10.600108
517A45.7Very low65.3Low99 Ų9995.1 Ų95.182%0.81853%0.527SS*.SBendtrans56.285.1162.300000118.2L515L515-A517 PolarHBondContact O-N 3.29Å
518S42.8Very low65.2Low89 Ų8989.5 Ų89.562%0.62250%0.498SS*.  trans-164126138.2119.70000110.2R520S518-R520 PolarHBondContact O-N 3.47Å
519T47.7Very low65.1Low155 Ų15593.7 Ų93.795%0.95152%0.517SS*.SBendtrans-67.638.2-170.720.30000116.2
520R49.7Very low65Low216 Ų21695.5 Ų95.582%0.81553%0.528SS*.SBendtrans-134.9107.2167.4-75.4-175.6175.5174.4-2.2109.2S518 R522S518-R520 PolarHBondContact O-N 3.47Å; R520-R522 PolarHBondContact O-N 3.12Å
521S49.1Very low64.8Low125 Ų12598.1 Ų98.187%0.87454%0.541SS*.  trans-54.894.8173.254.70000109.8
522R53.1Low64.6Low196 Ų196100 Ų10074%0.7456%0.561SS**PPolyproline II helixtrans-67.2139.1164.5-78.1-174.9170.9179.8-1.8107.7R520 V524R520-R522 PolarHBondContact O-N 3.12Å; R522-V524 PolarHBondContact O-N 3.48Å
523P57.1Low64.2Low118 Ų118100.4 Ų100.477%0.76656%0.556SS**PPolyproline II helixtrans-58.9135.6174.323-30.4000109.4A525P523-A525 PolarHBondContact O-N 3.24Å
524V61.8Low64.1Low78 Ų78101.3 Ų101.347%0.47356%0.561SS.*PPolyproline II helixtrans-58124175.6176.80000108.4R522 F526R522-V524 PolarHBondContact O-N 3.48Å; V524-F526 HydrophobicContact CB-CZ 4.3Å; V524-F526 HydrophobicContact CG1-CE1 4.12Å; V524-F526 HydrophobicContact CG1-CZ 4.23Å; V524-F526 WeakPolarHBondContact O-CD2 3.06Å; V524-F526 WeakPolarHBondContact O-CE2 3.15Å
525A74.9Confident64.3Low58 Ų58102.3 Ų102.348%0.47956%0.558SS.*PPolyproline II helixtrans-78.9125.6176.900000110.1V511 P523V511-A525 PolarHBondContact N-O 3.19Å; P523-A525 PolarHBondContact O-N 3.24Å
526F78.1Confident64.5Low99 Ų99103.1 Ų103.143%0.43457%0.567SS.*BIsolated β-bridgetrans-98.5138.5176.8-60.8-70.8000110.8P506 V524 V528P506-F526 HydrophobicContact CB-CD1 4.06Å; P506-F526 HydrophobicContact CB-CE1 4.17Å; P506-F526 WeakPolarHBondContact O-CD1 3.37Å; P506-F526 WeakPolarHBondContact O-CE1 3.41Å; V524-F526 HydrophobicContact CB-CZ 4.3Å; V524-F526 HydrophobicContact CG1-CE1 4.12Å; V524-F526 HydrophobicContact CG1-CZ 4.23Å; V524-F526 WeakPolarHBondContact O-CD2 3.06Å; V524-F526 WeakPolarHBondContact O-CE2 3.15Å; F526-V528 VanDerWaalsContact C-N 3.33Å
527T85.5Confident64.8Low12 Ų12101.5 Ų101.57%0.07456%0.557CS.*SBendtrans-79.5-22.4175-44.40000111.5R341 L398 F400 M509R341-T527 WeakPolarHBondContact CB-O 3.41Å; R341-T527 VanDerWaalsContact CD-O 3.29Å; R341-T527 WeakPolarHBondContact CD-O 3.43Å; L398-T527 HydrophobicContact CD2-CG2 4.05Å; F400-T527 HydrophobicContact CE1-CG2 4.27Å; M509-T527 WeakPolarHBondContact O-CB 3.45Å; M509-T527 PolarHBondContact O-N 3.45Å; M509-T527 PolarHBondContact O-OG1 3.43Å
528V91.4Very high64.5Low0 Ų0103.9 Ų103.90%056%0.556CS.*SBendtrans-132.6134.8179.9177.10000109R341 I343 I396 L398 L505 M509 F526R341-V528 HydrophobicContact CB-CG2 4.44Å; R341-V528 WeakPolarHBondContact O-CA 3.3Å; R341-V528 WeakPolarHBondContact O-CG1 3.44Å; I343-V528 HydrophobicContact CD1-CG1 3.78Å; I343-V528 HydrophobicContact CG1-CG1 4.44Å; I396-V528 HydrophobicContact CD1-CG1 4.46Å; I396-V528 HydrophobicContact CD1-CG2 4.32Å; I396-V528 HydrophobicContact CG2-CG2 4.08Å; L398-V528 HydrophobicContact CD2-CG2 4.24Å; L505-V528 HydrophobicContact CD2-CG1 3.8Å; L505-V528 HydrophobicContact CG-CG1 4.2Å; M509-V528 HydrophobicContact CB-CB 4.09Å; M509-V528 HydrophobicContact CB-CG2 4.1Å; M509-V528 HydrophobicContact CE-CG2 4.39Å; M509-V528 HydrophobicContact CG-CB 4.01Å; M509-V528 HydrophobicContact CG-CG2 3.68Å; M509-V528 HydrophobicContact SD-CG2 4.19Å; F526-V528 VanDerWaalsContact C-N 3.33Å
529E91.1Very high63.9Low110 Ų110110.5 Ų110.551%0.51457%0.567SS.*EExtended strand (participates in β ladder)trans-110.2136.4177.6-68-178.4-177.800110.4R341 V342 I343R341-E529 PolarHBondContact O-N 3.35Å; V342-E529 WeakPolarHBondContact CA-O 3.5Å; I343-E529 PolarHBondContact N-O 2.76Å
530V91Very high63.1Low39 Ų39107.6 Ų107.624%0.23655%0.554CS.*EExtended strand (participates in β ladder)trans-112118.1173.9176.30000107.5I343 R345 I502 P506I343-V530 HydrophobicContact CB-CG2 4.41Å; I343-V530 CarbonylContact O-C 3.59Å; I343-V530 WeakPolarHBondContact O-CA 3.21Å; R345-V530 HydrophobicContact CB-CG1 4.16Å; I502-V530 HydrophobicContact CG2-CB 4.45Å; I502-V530 HydrophobicContact CG2-CG1 3.47Å; I502-V530 VanDerWaalsContact CG2-CG1 3.47Å; I502-V530 HydrophobicContact CG2-CG2 4.2Å; P506-V530 HydrophobicContact CG-CB 4.39Å; P506-V530 HydrophobicContact CG-CG2 3.97Å
531L89.7Confident62.4Low69 Ų69106.4 Ų106.436%0.36158%0.578SS.*EExtended strand (participates in β ladder)trans-108.3135.9-179.3-58.1-178.5000110.1V342 I343 Y344 R345V342-L531 HydrophobicContact CG1-CD1 3.58Å; V342-L531 HydrophobicContact CG1-CG 3.93Å; I343-L531 PolarHBondContact O-N 3.06Å; Y344-L531 WeakPolarHBondContact CA-O 3.3Å; Y344-L531 HydrophobicContact CD1-CB 4.27Å; Y344-L531 HydrophobicContact CE1-CB 4.39Å; Y344-L531 HydrophobicContact CE1-CD1 4.12Å; R345-L531 PolarHBondContact N-O 3.41Å
532G84Confident63Low45 Ų45105.5 Ų105.546%0.46456%0.563SS.*  trans-87.8137.3164.800000110.4E346 D534E346-G532 VanDerWaalsContact OE2-CA 3.31Å; E346-G532 WeakPolarHBondContact OE2-CA 3.44Å; G532-D534 PolarHBondContact O-N 3.48Å
533L67.6Low63.6Low87 Ų87100.7 Ų100.746%0.45555%0.554SS.*  trans-74.165.3163.5-66.7175000109.1Y344 E346 K535Y344-L533 HydrophobicContact CD1-CD2 4.11Å; Y344-L533 HydrophobicContact CD1-CG 4.5Å; E346-L533 HydrophobicContact CB-CD1 4.25Å; E346-L533 HydrophobicContact CG-CB 4.38Å; E346-L533 PolarHBondContact OE2-N 3.26Å; L533-K535 VanDerWaalsContact C-N 3.31Å; L533-K535 PolarHBondContact O-N 3.4Å
534D57.1Low63.9Low85 Ų8599.7 Ų99.746%0.45554%0.542SS..  trans-66.493.7167.9-93.6-14.6000108.3G532 T536 K537G532-D534 PolarHBondContact O-N 3.48Å; D534-T536 PolarHBondContact O-N 3.42Å; D534-K537 HydrophobicContact CB-CB 4.17Å; D534-K537 HydrophobicContact CB-CG 4.49Å; D534-K537 PolarHBondContact O-N 3.43Å; D534-K537 VanDerWaalsContact O-N 3.13Å
535K51.5Low64.1Low183 Ų183101 Ų10180%0.79655%0.546SS*.THydrogen-bonded Turntrans-56-19.6174.9-70.9-176.51801760112.5L533L533-K535 VanDerWaalsContact C-N 3.31Å; L533-K535 PolarHBondContact O-N 3.4Å
536T47.3Very low63.4Low116 Ų116103.7 Ų103.771%0.71255%0.551SS**THydrogen-bonded Turntrans-85.8-27.2-179.352.80000113.8D534D534-T536 PolarHBondContact O-N 3.42Å
537K45.3Very low62.4Low153 Ų153104 Ų10467%0.66556%0.558SS**THydrogen-bonded Turntrans-89.6-19.8-180-79.3-176.5177.3170.10114.4D534 R539D534-K537 HydrophobicContact CB-CB 4.17Å; D534-K537 HydrophobicContact CB-CG 4.49Å; D534-K537 PolarHBondContact O-N 3.43Å; D534-K537 VanDerWaalsContact O-N 3.13Å; K537-R539 PolarHBondContact O-N 3.39Å
538N38Very low60.8Low148 Ų148110.6 Ų110.679%0.79159%0.593SS**THydrogen-bonded Turntrans-84.111.5172.9-79.1-10000114.2
539R30.6Very low58.4Low228 Ų228119.1 Ų119.186%0.8664%0.639SS**  trans-112.267.2160.5-79.8-172.7172.3-179.7-2108.9K537K537-R539 PolarHBondContact O-N 3.39Å
540S31.4Very low55.7Low95 Ų95119.8 Ų119.866%0.66465%0.649SS**  trans-95.1111.4159.858.40000108.6
541S34.7Very low52.5Low190 Ų190127.2 Ų127.2100%1.32969%0.687SS**  trans500145.8620000118.4

Retrieved 541 of 541 residues in 1194.5 ms (Link to these results)

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