A0A3Q0KPE9_SCHMA Loading...

Sodium/hydrogen exchanger

AlphaFold DB , UniProt , Accession A0A3Q0KPE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 777 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
1M62.1Low76.2Confident184 Ų18474.5 Ų74.591%0.90638%0.382SS*.  0-62.10-70.7-53.8172.900113F3 L4 L5M1-F3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 HydrophobicContact SD-CD1 4.46Å; M1-L5 PolarHBondContact O-N 3.44Å
2L71.2Confident76.7Confident139 Ų13975.6 Ų75.673%0.72839%0.388SS*.Hα-helixtrans-55.2-39.9179.9-164.3151.3000112.8L5 S6L2-L5 WeakPolarHBondContact O-CB 3.43Å; L2-L5 PolarHBondContact O-N 2.88Å; L2-S6 PolarHBondContact O-N 3.45Å
3F71.4Confident77Confident12 Ų1273.2 Ų73.25%0.05339%0.386CS..Hα-helixtrans-58.9-48.2171.5178-94.1000114M1 L5 S6 V7 F37 W55 V293 L296 F297 I300M1-F3 PolarHBondContact O-N 3.25Å; F3-L5 VanDerWaalsContact C-N 3.33Å; F3-L5 PolarHBondContact O-N 2.86Å; F3-S6 VanDerWaalsContact O-CB 3.27Å; F3-S6 WeakPolarHBondContact O-CB 3.34Å; F3-S6 PolarHBondContact O-N 3.28Å; F3-V7 HydrophobicContact CE1-CG2 4.27Å; F3-V7 WeakPolarHBondContact O-CG2 3.46Å; F3-V7 PolarHBondContact O-N 3.29Å; F3-F37 HydrophobicContact CD2-CE1 4.2Å; F3-F37 HydrophobicContact CD2-CZ 4.48Å; F3-F37 HydrophobicContact CE2-CE1 4.41Å; F3-W55 HydrophobicContact CB-CH2 3.47Å; F3-W55 VanDerWaalsContact CB-CH2 3.47Å; F3-W55 HydrophobicContact CB-CZ3 3.41Å; F3-W55 VanDerWaalsContact CB-CZ3 3.41Å; F3-W55 HydrophobicContact CD1-CZ3 4.13Å; F3-W55 HydrophobicContact CD2-CE3 4.21Å; F3-W55 HydrophobicContact CD2-CH2 4.33Å; F3-W55 AromaticContact CD2-CZ3 3.68Å; F3-W55 HydrophobicContact CD2-CZ3 3.68Å; F3-W55 HydrophobicContact CE2-CZ3 4.4Å; F3-W55 HydrophobicContact CG-CE3 4.39Å; F3-W55 HydrophobicContact CG-CH2 4.07Å; F3-W55 AromaticContact CG-CZ3 3.49Å; F3-W55 HydrophobicContact CG-CZ3 3.49Å; F3-W55 VanDerWaalsContact CG-CZ3 3.49Å; F3-V293 HydrophobicContact CE1-CG1 4.12Å; F3-V293 HydrophobicContact CE1-CG2 4.17Å; F3-L296 HydrophobicContact CD2-CD2 4.46Å; F3-L296 HydrophobicContact CE1-CD1 4.44Å; F3-L296 HydrophobicContact CE2-CD1 3.75Å; F3-L296 HydrophobicContact CE2-CD2 3.3Å; F3-L296 HydrophobicContact CE2-CG 4.09Å; F3-L296 HydrophobicContact CZ-CB 4.18Å; F3-L296 HydrophobicContact CZ-CD1 3.71Å; F3-L296 HydrophobicContact CZ-CD2 3.53Å; F3-L296 HydrophobicContact CZ-CG 4Å; F3-F297 HydrophobicContact CE1-CE2 4.19Å; F3-F297 HydrophobicContact CE1-CZ 4.44Å; F3-F297 HydrophobicContact CZ-CD2 4.44Å; F3-F297 HydrophobicContact CZ-CE2 4.18Å; F3-F297 HydrophobicContact CZ-CZ 4.27Å; F3-I300 HydrophobicContact CE2-CD1 3.94Å
4L76.1Confident77Confident66 Ų6670.8 Ų70.835%0.34637%0.369SS..Hα-helixtrans-65.4-38.3177.3-70.3173.5000111.7M1 S6 V7 V8 I289 V293M1-L4 PolarHBondContact O-N 3.44Å; M1-L4 HydrophobicContact SD-CD1 4.46Å; L4-S6 VanDerWaalsContact C-N 3.28Å; L4-S6 PolarHBondContact O-N 2.77Å; L4-V7 WeakPolarHBondContact O-CB 3.47Å; L4-V7 PolarHBondContact O-N 2.99Å; L4-V8 WeakPolarHBondContact O-CG2 3.41Å; L4-V8 PolarHBondContact O-N 3.35Å; L4-I289 HydrophobicContact CD2-CG2 4.1Å; L4-V293 HydrophobicContact CD2-CG2 3.51Å
5L78.4Confident77Confident101 Ų10176.9 Ų76.953%0.52940%0.395SS..Hα-helixtrans-59.9-41.8173.7-173.4108.8000110.6M1 L2 F3 V8 F9M1-L5 PolarHBondContact O-N 3.44Å; L2-L5 WeakPolarHBondContact O-CB 3.43Å; L2-L5 PolarHBondContact O-N 2.88Å; F3-L5 VanDerWaalsContact C-N 3.33Å; F3-L5 PolarHBondContact O-N 2.86Å; L5-V8 PolarHBondContact O-N 3.3Å; L5-F9 HydrophobicContact CD1-CE2 4.23Å; L5-F9 HydrophobicContact CD2-CD2 3.94Å; L5-F9 HydrophobicContact CD2-CE2 3.52Å; L5-F9 HydrophobicContact CG-CD2 3.86Å; L5-F9 HydrophobicContact CG-CE2 3.59Å; L5-F9 WeakPolarHBondContact O-CD2 3.33Å; L5-F9 PolarHBondContact O-N 3.35Å
6S75.6Confident77.1Confident42 Ų4281.4 Ų81.429%0.29441%0.413SS..Hα-helixtrans-58.9-48.3172.8-171.50000111.6L2 F3 L4 V8 F9 I10L2-S6 PolarHBondContact O-N 3.45Å; F3-S6 VanDerWaalsContact O-CB 3.27Å; F3-S6 WeakPolarHBondContact O-CB 3.34Å; F3-S6 PolarHBondContact O-N 3.28Å; L4-S6 VanDerWaalsContact C-N 3.28Å; L4-S6 PolarHBondContact O-N 2.77Å; S6-V8 VanDerWaalsContact C-N 3.3Å; S6-V8 PolarHBondContact O-N 2.78Å; S6-F9 PolarHBondContact O-N 3.27Å; S6-F9 VanDerWaalsContact O-N 3.16Å; S6-I10 WeakPolarHBondContact O-CD1 3.45Å; S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.44Å
7V78.2Confident77.2Confident2 Ų280.9 Ų80.91%0.01241%0.411CS..Hα-helixtrans-55.5-44.9175.6174.40000111.5F3 L4 I10 K11 L296F3-V7 HydrophobicContact CE1-CG2 4.27Å; F3-V7 WeakPolarHBondContact O-CG2 3.46Å; F3-V7 PolarHBondContact O-N 3.29Å; L4-V7 WeakPolarHBondContact O-CB 3.47Å; L4-V7 PolarHBondContact O-N 2.99Å; V7-I10 PolarHBondContact O-N 3.13Å; V7-K11 PolarHBondContact O-N 3.14Å; V7-L296 HydrophobicContact CG2-CD1 3.52Å
8V80.2Confident76.8Confident71 Ų7181.6 Ų81.643%0.4342%0.422SS..Hα-helixtrans-63.6-45.7177.8172.30000111.2L4 L5 S6 I10 K11 I12L4-V8 WeakPolarHBondContact O-CG2 3.41Å; L4-V8 PolarHBondContact O-N 3.35Å; L5-V8 PolarHBondContact O-N 3.3Å; S6-V8 VanDerWaalsContact C-N 3.3Å; S6-V8 PolarHBondContact O-N 2.78Å; V8-I10 VanDerWaalsContact C-N 3.29Å; V8-I10 PolarHBondContact O-N 3.3Å; V8-K11 PolarHBondContact O-N 3.09Å; V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 HydrophobicContact CG1-CG1 4.47Å; V8-I12 VanDerWaalsContact O-CG1 3.31Å; V8-I12 WeakPolarHBondContact O-CG1 3.28Å; V8-I12 PolarHBondContact O-N 3.22Å
9F83.9Confident76.5Confident129 Ų12987.6 Ų87.657%0.56644%0.44SS*.Hα-helixtrans-60.3-39.9175.9-84.2-63.1000112.3L5 S6 I12 A13L5-F9 HydrophobicContact CD1-CE2 4.23Å; L5-F9 HydrophobicContact CD2-CD2 3.94Å; L5-F9 HydrophobicContact CD2-CE2 3.52Å; L5-F9 HydrophobicContact CG-CD2 3.86Å; L5-F9 HydrophobicContact CG-CE2 3.59Å; L5-F9 WeakPolarHBondContact O-CD2 3.33Å; L5-F9 PolarHBondContact O-N 3.35Å; S6-F9 PolarHBondContact O-N 3.27Å; S6-F9 VanDerWaalsContact O-N 3.16Å; F9-I12 PolarHBondContact O-N 3.47Å; F9-A13 VanDerWaalsContact O-CB 3.31Å; F9-A13 WeakPolarHBondContact O-CB 3.5Å; F9-A13 PolarHBondContact O-N 3.49Å
10I80.3Confident76.3Confident24 Ų2486.7 Ų86.712%0.12344%0.436CS..Hα-helixtrans-62.8-46.1176.9-68.3159000110.6S6 V7 V8 I12 A13 Y14 L30 I33S6-I10 WeakPolarHBondContact O-CD1 3.45Å; S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.44Å; V7-I10 PolarHBondContact O-N 3.13Å; V8-I10 VanDerWaalsContact C-N 3.29Å; V8-I10 PolarHBondContact O-N 3.3Å; I10-I12 PolarHBondContact O-N 3.08Å; I10-A13 PolarHBondContact O-N 2.97Å; I10-Y14 WeakPolarHBondContact O-CB 3.41Å; I10-Y14 PolarHBondContact O-N 3.27Å; I10-L30 HydrophobicContact CG2-CD2 3.95Å; I10-I33 HydrophobicContact CB-CD1 4.37Å; I10-I33 HydrophobicContact CD1-CB 4.47Å; I10-I33 HydrophobicContact CD1-CD1 4.09Å; I10-I33 HydrophobicContact CD1-CG2 3.57Å; I10-I33 HydrophobicContact CG1-CD1 4.02Å; I10-I33 HydrophobicContact CG1-CG2 4.46Å; I10-I33 HydrophobicContact CG2-CD1 3.43Å; I10-I33 VanDerWaalsContact CG2-CD1 3.43Å
11K80.6Confident75.9Confident49 Ų4984.7 Ų84.721%0.21343%0.43CS..Hα-helixtrans-61.2-43.6176.1-79.1-160.7-179.4-107.10112.4V7 V8 A13 Y14 H15 E26 E288 S292V7-K11 PolarHBondContact O-N 3.14Å; V8-K11 PolarHBondContact O-N 3.09Å; K11-A13 VanDerWaalsContact C-N 3.34Å; K11-A13 PolarHBondContact O-N 3.35Å; K11-Y14 PolarHBondContact O-N 3.01Å; K11-H15 PolarHBondContact O-N 3.46Å; K11-H15 VanDerWaalsContact O-N 3.07Å; K11-E26 WeakPolarHBondContact CE-OE1 3.42Å; K11-E26 IonicContact NZ-OE1 3.75Å; K11-E26 PolarHBondContact NZ-OE1 3.37Å; K11-E288 PolarHBondContact NZ-O 3.38Å; K11-S292 WeakPolarHBondContact CE-OG 3.18Å; K11-S292 PolarHBondContact NZ-OG 2.96Å; K11-S292 VanDerWaalsContact NZ-OG 3.09Å
12I82.5Confident76.3Confident88 Ų8878.3 Ų78.345%0.45140%0.403SS..Hα-helixtrans-61.8-44.8176.8-67.5167.5000110.2V8 F9 I10 H15 H16V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 HydrophobicContact CG1-CG1 4.47Å; V8-I12 VanDerWaalsContact O-CG1 3.31Å; V8-I12 WeakPolarHBondContact O-CG1 3.28Å; V8-I12 PolarHBondContact O-N 3.22Å; F9-I12 PolarHBondContact O-N 3.47Å; I10-I12 PolarHBondContact O-N 3.08Å; I12-H15 PolarHBondContact O-N 3.47Å; I12-H16 PolarHBondContact O-CD2 2.96Å; I12-H16 PolarHBondContact O-N 3.27Å
13A80.5Confident76.4Confident44 Ų4479.9 Ų79.936%0.36440%0.401SS..Hα-helixtrans-62.7-43.6177.600000111.7F9 I10 K11 H15 H16 I17F9-A13 VanDerWaalsContact O-CB 3.31Å; F9-A13 WeakPolarHBondContact O-CB 3.5Å; F9-A13 PolarHBondContact O-N 3.49Å; I10-A13 PolarHBondContact O-N 2.97Å; K11-A13 VanDerWaalsContact C-N 3.34Å; K11-A13 PolarHBondContact O-N 3.35Å; A13-H15 VanDerWaalsContact C-N 3.34Å; A13-H15 PolarHBondContact O-N 3.05Å; A13-H16 PolarHBondContact O-N 2.9Å; A13-H16 VanDerWaalsContact O-N 3.15Å; A13-I17 WeakPolarHBondContact O-CD1 3.24Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.47Å; A13-I17 PolarHBondContact O-N 2.96Å; A13-I17 VanDerWaalsContact O-N 3.15Å
14Y77.4Confident76.8Confident40 Ų4081.8 Ų81.816%0.15741%0.411CS..Hα-helixtrans-58-45.3177.3176.2-106.6000111.9I10 K11 H16 I17 I20 S21 I24 E26 I29I10-Y14 WeakPolarHBondContact O-CB 3.41Å; I10-Y14 PolarHBondContact O-N 3.27Å; K11-Y14 PolarHBondContact O-N 3.01Å; Y14-H16 VanDerWaalsContact C-N 3.28Å; Y14-H16 PolarHBondContact O-N 3.38Å; Y14-I17 PolarHBondContact O-N 3.36Å; Y14-I20 HydrophobicContact CD2-CG2 4.5Å; Y14-I20 HydrophobicContact CE2-CG2 4.45Å; Y14-S21 WeakPolarHBondContact OH-CA 3.46Å; Y14-S21 PolarHBondContact OH-OG 3Å; Y14-S21 VanDerWaalsContact OH-OG 3.1Å; Y14-I24 PolarHBondContact OH-O 3.24Å; Y14-E26 HydrophobicContact CD1-CB 4.49Å; Y14-E26 HydrophobicContact CD1-CG 4.17Å; Y14-E26 HydrophobicContact CE1-CB 3.92Å; Y14-E26 HydrophobicContact CE1-CG 4.09Å; Y14-I29 HydrophobicContact CD2-CD1 3.45Å; Y14-I29 VanDerWaalsContact CD2-CD1 3.45Å; Y14-I29 HydrophobicContact CE2-CD1 3.33Å
15H76.4Confident77Confident163 Ų16379.6 Ų79.676%0.75540%0.401SS*.Hα-helixtrans-65.4-30.9178.2-166.372.7000113.1K11 I12 A13K11-H15 PolarHBondContact O-N 3.46Å; K11-H15 VanDerWaalsContact O-N 3.07Å; I12-H15 PolarHBondContact O-N 3.47Å; A13-H15 VanDerWaalsContact C-N 3.34Å; A13-H15 PolarHBondContact O-N 3.05Å
16H78.9Confident77.2Confident149 Ų14977.7 Ų77.769%0.6939%0.389SS*.Hα-helixtrans-81.7-11.7178-88.9-66.9000114.6I12 A13 Y14 P18I12-H16 PolarHBondContact O-CD2 2.96Å; I12-H16 PolarHBondContact O-N 3.27Å; A13-H16 PolarHBondContact O-N 2.9Å; A13-H16 VanDerWaalsContact O-N 3.15Å; Y14-H16 VanDerWaalsContact C-N 3.28Å; Y14-H16 PolarHBondContact O-N 3.38Å; H16-P18 WeakPolarHBondContact O-CD 3.34Å
17I79.6Confident77.6Confident73 Ų7376 Ų7637%0.37438%0.377SS..  trans-109.685.4-177.7-55.6161.5000109.8A13 Y14 Y19 I20 S21A13-I17 WeakPolarHBondContact O-CD1 3.24Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.47Å; A13-I17 PolarHBondContact O-N 2.96Å; A13-I17 VanDerWaalsContact O-N 3.15Å; Y14-I17 PolarHBondContact O-N 3.36Å; I17-Y19 VanDerWaalsContact C-N 3.29Å; I17-Y19 PolarHBondContact O-N 3.39Å; I17-I20 HydrophobicContact CB-CD1 4.39Å; I17-I20 HydrophobicContact CD1-CD1 4.35Å; I17-I20 HydrophobicContact CG2-CB 4.06Å; I17-I20 HydrophobicContact CG2-CD1 3.62Å; I17-I20 HydrophobicContact CG2-CG1 3.68Å; I17-I20 PolarHBondContact O-N 3.48Å; I17-S21 PolarHBondContact O-N 2.98Å
18P69.7Low78Confident93 Ų9377.9 Ų77.960%0.60439%0.385SS*.Hα-helixtrans-64.3-30.9-172.124.4-34.7000113.4H16 I20 S22H16-P18 WeakPolarHBondContact O-CD 3.34Å; P18-I20 VanDerWaalsContact C-N 3.35Å; P18-I20 PolarHBondContact O-N 3.23Å; P18-S22 PolarHBondContact O-N 3.31Å
19Y71.3Confident78.4Confident195 Ų19575.7 Ų75.777%0.76537%0.371SS*.Hα-helixtrans-62-40.8179.5-75-78000112.6I17 Y23I17-Y19 VanDerWaalsContact C-N 3.29Å; I17-Y19 PolarHBondContact O-N 3.39Å; Y19-Y23 WeakPolarHBondContact O-CD2 3.41Å
20I71.9Confident78.6Confident69 Ų6969.8 Ų69.835%0.35435%0.345SS..Hα-helixtrans-74.4-46.4-177-66.3176.4000110.1Y14 I17 P18 S22 Y23 I24 I29Y14-I20 HydrophobicContact CD2-CG2 4.5Å; Y14-I20 HydrophobicContact CE2-CG2 4.45Å; I17-I20 HydrophobicContact CB-CD1 4.39Å; I17-I20 HydrophobicContact CD1-CD1 4.35Å; I17-I20 HydrophobicContact CG2-CB 4.06Å; I17-I20 HydrophobicContact CG2-CD1 3.62Å; I17-I20 HydrophobicContact CG2-CG1 3.68Å; I17-I20 PolarHBondContact O-N 3.48Å; P18-I20 VanDerWaalsContact C-N 3.35Å; P18-I20 PolarHBondContact O-N 3.23Å; I20-S22 PolarHBondContact O-N 2.96Å; I20-S22 VanDerWaalsContact O-N 3.14Å; I20-Y23 PolarHBondContact O-N 3.29Å; I20-Y23 VanDerWaalsContact O-N 3.11Å; I20-I24 PolarHBondContact O-N 3.06Å; I20-I29 HydrophobicContact CG2-CD1 3.39Å; I20-I29 HydrophobicContact CG2-CG1 4.34Å
21S68.5Low79Confident46 Ų4668.7 Ų68.732%0.32234%0.34SS..Hα-helixtrans-60.2-24.9179.9-179.60000113.1Y14 I17Y14-S21 WeakPolarHBondContact OH-CA 3.46Å; Y14-S21 PolarHBondContact OH-OG 3Å; Y14-S21 VanDerWaalsContact OH-OG 3.1Å; I17-S21 PolarHBondContact O-N 2.98Å
22S69.4Low79.5Confident49 Ų4969.5 Ų69.534%0.34335%0.345SS..Hα-helixtrans-68.6-33.9177.2-167.90000113.6P18 I20 K407P18-S22 PolarHBondContact O-N 3.31Å; I20-S22 PolarHBondContact O-N 2.96Å; I20-S22 VanDerWaalsContact O-N 3.14Å; S22-K407 WeakPolarHBondContact O-CD 3.39Å; S22-K407 WeakPolarHBondContact O-CE 3.45Å; S22-K407 PolarHBondContact O-NZ 3.38Å
23Y72.9Confident79.7Confident173 Ų17367.5 Ų67.568%0.67834%0.335SS*.Hα-helixtrans-110.5-35.9-171.5-70-83.2000114.2Y19 I20Y19-Y23 WeakPolarHBondContact O-CD2 3.41Å; I20-Y23 PolarHBondContact O-N 3.29Å; I20-Y23 VanDerWaalsContact O-N 3.11Å
24I81.3Confident80.1Confident52 Ų5265.4 Ų65.427%0.26732%0.318SS..SBendtrans-111.1126.8-169.4-53.6179.4000109.2Y14 I20 F28 I29Y14-I24 PolarHBondContact OH-O 3.24Å; I20-I24 PolarHBondContact O-N 3.06Å; I24-F28 HydrophobicContact CG2-CB 4.21Å; I24-F28 HydrophobicContact CG2-CD1 3.71Å; I24-F28 HydrophobicContact CG2-CG 4.45Å; I24-I29 HydrophobicContact CB-CD1 4.19Å; I24-I29 HydrophobicContact CB-CG1 4.26Å; I24-I29 HydrophobicContact CG2-CD1 4.08Å; I24-I29 HydrophobicContact CG2-CG1 3.64Å
25P79.8Confident80.7Confident19 Ų1966 Ų6612%0.12332%0.324CS..  trans-64.6144.7175.726.7-32.8000111.1S27 F28 I29 A144 I404P25-S27 VanDerWaalsContact C-N 3.29Å; P25-S27 PolarHBondContact O-N 3.45Å; P25-F28 HydrophobicContact CG-CB 3.97Å; P25-F28 PolarHBondContact O-N 3.44Å; P25-F28 VanDerWaalsContact O-N 3.09Å; P25-I29 PolarHBondContact O-N 3.18Å; P25-A144 HydrophobicContact CB-CB 4.28Å; P25-I404 HydrophobicContact CG-CG1 4.49Å
26E81.8Confident81.2Confident62 Ų6262.6 Ų62.629%0.2931%0.31SS..Hα-helixtrans-53.6-44.7-178.3-174.9179.5164.400112.1K11 Y14 F28 I29 L30K11-E26 WeakPolarHBondContact CE-OE1 3.42Å; K11-E26 IonicContact NZ-OE1 3.75Å; K11-E26 PolarHBondContact NZ-OE1 3.37Å; Y14-E26 HydrophobicContact CD1-CB 4.49Å; Y14-E26 HydrophobicContact CD1-CG 4.17Å; Y14-E26 HydrophobicContact CE1-CB 3.92Å; Y14-E26 HydrophobicContact CE1-CG 4.09Å; E26-F28 VanDerWaalsContact C-N 3.27Å; E26-F28 PolarHBondContact O-N 3.17Å; E26-I29 PolarHBondContact O-N 3.23Å; E26-I29 VanDerWaalsContact O-N 3.14Å; E26-L30 HydrophobicContact CG-CD1 4.11Å; E26-L30 WeakPolarHBondContact O-CG 3.22Å; E26-L30 PolarHBondContact O-N 3.47Å
27S84.1Confident81.4Confident6 Ų658.4 Ų58.44%0.04229%0.29CS..Hα-helixtrans-55.9-39.1179.4-43.40000112.7P25 L30 I31 F295P25-S27 VanDerWaalsContact C-N 3.29Å; P25-S27 PolarHBondContact O-N 3.45Å; S27-L30 PolarHBondContact O-N 3.06Å; S27-I31 VanDerWaalsContact O-CG1 3.29Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 2.93Å; S27-I31 VanDerWaalsContact O-N 3.08Å; S27-F295 VanDerWaalsContact CB-CE2 3.48Å; S27-F295 VanDerWaalsContact OG-CE2 3.26Å; S27-F295 WeakPolarHBondContact OG-CE2 3.42Å
28F87Confident81.6Confident41 Ų4155.2 Ų55.218%0.1828%0.275CS..Hα-helixtrans-72.3-35.8-179.6-172.9-119.5000112.4I24 P25 E26 L30 I31 I32 V399 I404I24-F28 HydrophobicContact CG2-CB 4.21Å; I24-F28 HydrophobicContact CG2-CD1 3.71Å; I24-F28 HydrophobicContact CG2-CG 4.45Å; P25-F28 HydrophobicContact CG-CB 3.97Å; P25-F28 PolarHBondContact O-N 3.44Å; P25-F28 VanDerWaalsContact O-N 3.09Å; E26-F28 VanDerWaalsContact C-N 3.27Å; E26-F28 PolarHBondContact O-N 3.17Å; F28-L30 VanDerWaalsContact C-N 3.33Å; F28-I31 PolarHBondContact O-N 3.23Å; F28-I32 HydrophobicContact CD1-CD1 3.74Å; F28-I32 HydrophobicContact CD1-CG1 4.5Å; F28-I32 HydrophobicContact CE1-CD1 3.45Å; F28-I32 VanDerWaalsContact CE1-CD1 3.45Å; F28-I32 HydrophobicContact CE1-CG1 4.25Å; F28-I32 HydrophobicContact CG-CD1 4.45Å; F28-I32 HydrophobicContact CZ-CD1 3.92Å; F28-I32 HydrophobicContact CZ-CG1 4.27Å; F28-I32 WeakPolarHBondContact O-CG1 3.36Å; F28-I32 PolarHBondContact O-N 3.18Å; F28-V399 HydrophobicContact CB-CG1 4.39Å; F28-I404 HydrophobicContact CD1-CD1 3.96Å; F28-I404 HydrophobicContact CE1-CD1 3.87Å
29I88Confident82.3Confident26 Ų2652.1 Ų52.113%0.13326%0.257CS..Hα-helixtrans-64.2-42.7174.9-65.2164.8000110.1Y14 I20 I24 P25 E26 I31 I32 I33Y14-I29 HydrophobicContact CD2-CD1 3.45Å; Y14-I29 VanDerWaalsContact CD2-CD1 3.45Å; Y14-I29 HydrophobicContact CE2-CD1 3.33Å; I20-I29 HydrophobicContact CG2-CD1 3.39Å; I20-I29 HydrophobicContact CG2-CG1 4.34Å; I24-I29 HydrophobicContact CB-CD1 4.19Å; I24-I29 HydrophobicContact CB-CG1 4.26Å; I24-I29 HydrophobicContact CG2-CD1 4.08Å; I24-I29 HydrophobicContact CG2-CG1 3.64Å; P25-I29 PolarHBondContact O-N 3.18Å; E26-I29 PolarHBondContact O-N 3.23Å; E26-I29 VanDerWaalsContact O-N 3.14Å; I29-I31 VanDerWaalsContact C-N 3.31Å; I29-I31 PolarHBondContact O-N 3.07Å; I29-I32 PolarHBondContact O-N 3.38Å; I29-I33 HydrophobicContact CG2-CD1 3.62Å; I29-I33 HydrophobicContact CG2-CG1 4.34Å; I29-I33 VanDerWaalsContact O-CG1 3.27Å; I29-I33 WeakPolarHBondContact O-CG1 3.23Å; I29-I33 PolarHBondContact O-N 3.38Å
30L88.6Confident82.8Confident4 Ų447.8 Ų47.82%0.02125%0.246CC..Hα-helixtrans-61.5-39.9176.1-70.7165.8000111.9I10 E26 S27 F28 I33 G34 F295I10-L30 HydrophobicContact CG2-CD2 3.95Å; E26-L30 HydrophobicContact CG-CD1 4.11Å; E26-L30 WeakPolarHBondContact O-CG 3.22Å; E26-L30 PolarHBondContact O-N 3.47Å; S27-L30 PolarHBondContact O-N 3.06Å; F28-L30 VanDerWaalsContact C-N 3.33Å; L30-I33 PolarHBondContact O-N 3.4Å; L30-G34 PolarHBondContact O-N 2.83Å; L30-F295 HydrophobicContact CB-CB 3.9Å; L30-F295 HydrophobicContact CD1-CB 4.41Å
31I89.4Confident83Confident1 Ų145.7 Ų45.71%0.00524%0.235CC..Hα-helixtrans-62.4-49.6173.4-67165.5000110.6S27 F28 I29 I33 G34 I35 F295 L298 G299 I396 V399S27-I31 VanDerWaalsContact O-CG1 3.29Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 2.93Å; S27-I31 VanDerWaalsContact O-N 3.08Å; F28-I31 PolarHBondContact O-N 3.23Å; I29-I31 VanDerWaalsContact C-N 3.31Å; I29-I31 PolarHBondContact O-N 3.07Å; I31-I33 VanDerWaalsContact C-N 3.31Å; I31-I33 PolarHBondContact O-N 3.3Å; I31-G34 PolarHBondContact O-N 3.37Å; I31-G34 VanDerWaalsContact O-N 3.13Å; I31-I35 HydrophobicContact CG2-CD1 3.95Å; I31-I35 HydrophobicContact CG2-CG1 4.46Å; I31-I35 VanDerWaalsContact O-CG1 3.31Å; I31-I35 WeakPolarHBondContact O-CG1 3.23Å; I31-I35 PolarHBondContact O-N 2.78Å; I31-F295 HydrophobicContact CD1-CD1 4.15Å; I31-F295 HydrophobicContact CG1-CB 4.22Å; I31-F295 HydrophobicContact CG1-CD1 4.29Å; I31-L298 HydrophobicContact CD1-CD2 3.82Å; I31-L298 HydrophobicContact CG1-CD2 3.84Å; I31-L298 HydrophobicContact CG2-CD2 4.11Å; I31-G299 WeakPolarHBondContact O-CA 3.33Å; I31-I396 HydrophobicContact CG2-CG1 4.41Å; I31-V399 HydrophobicContact CD1-CB 4.39Å; I31-V399 HydrophobicContact CD1-CG1 3.98Å
32I89.9Confident83.3Confident66 Ų6649.7 Ų49.734%0.33824%0.244SC..Hα-helixtrans-58-44.7178.5-70.7168.5000111F28 I29 G34 I35 I36F28-I32 HydrophobicContact CD1-CD1 3.74Å; F28-I32 HydrophobicContact CD1-CG1 4.5Å; F28-I32 HydrophobicContact CE1-CD1 3.45Å; F28-I32 VanDerWaalsContact CE1-CD1 3.45Å; F28-I32 HydrophobicContact CE1-CG1 4.25Å; F28-I32 HydrophobicContact CG-CD1 4.45Å; F28-I32 HydrophobicContact CZ-CD1 3.92Å; F28-I32 HydrophobicContact CZ-CG1 4.27Å; F28-I32 WeakPolarHBondContact O-CG1 3.36Å; F28-I32 PolarHBondContact O-N 3.18Å; I29-I32 PolarHBondContact O-N 3.38Å; I32-G34 VanDerWaalsContact C-N 3.33Å; I32-I35 WeakPolarHBondContact O-CB 3.48Å; I32-I35 PolarHBondContact O-N 3.43Å; I32-I36 HydrophobicContact CG2-CD1 3.83Å; I32-I36 HydrophobicContact CG2-CG1 4.45Å; I32-I36 WeakPolarHBondContact O-CG1 3.34Å; I32-I36 PolarHBondContact O-N 3.18Å
33I88.3Confident83.8Confident47 Ų4755.4 Ų55.424%0.24126%0.259CS..Hα-helixtrans-66.5-38.8178.9-66.1165.2000110.7I10 I29 L30 I31 I35 I36 F37I10-I33 HydrophobicContact CB-CD1 4.37Å; I10-I33 HydrophobicContact CD1-CB 4.47Å; I10-I33 HydrophobicContact CD1-CD1 4.09Å; I10-I33 HydrophobicContact CD1-CG2 3.57Å; I10-I33 HydrophobicContact CG1-CD1 4.02Å; I10-I33 HydrophobicContact CG1-CG2 4.46Å; I10-I33 HydrophobicContact CG2-CD1 3.43Å; I10-I33 VanDerWaalsContact CG2-CD1 3.43Å; I29-I33 HydrophobicContact CG2-CD1 3.62Å; I29-I33 HydrophobicContact CG2-CG1 4.34Å; I29-I33 VanDerWaalsContact O-CG1 3.27Å; I29-I33 WeakPolarHBondContact O-CG1 3.23Å; I29-I33 PolarHBondContact O-N 3.38Å; L30-I33 PolarHBondContact O-N 3.4Å; I31-I33 VanDerWaalsContact C-N 3.31Å; I31-I33 PolarHBondContact O-N 3.3Å; I33-I35 VanDerWaalsContact C-N 3.32Å; I33-I35 PolarHBondContact O-N 2.74Å; I33-I36 PolarHBondContact O-N 3.47Å; I33-F37 VanDerWaalsContact O-CB 3.25Å; I33-F37 WeakPolarHBondContact O-CB 3.35Å; I33-F37 PolarHBondContact O-N 3.32Å
34G88.1Confident83.7Confident0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-60.2-40.3172.700000112.7L30 I31 I32 F37 G38 G299 I300L30-G34 PolarHBondContact O-N 2.83Å; I31-G34 PolarHBondContact O-N 3.37Å; I31-G34 VanDerWaalsContact O-N 3.13Å; I32-G34 VanDerWaalsContact C-N 3.33Å; G34-F37 PolarHBondContact O-N 3.48Å; G34-G38 PolarHBondContact O-N 2.93Å; G34-G299 VanDerWaalsContact C-C 3.45Å; G34-I300 WeakPolarHBondContact O-CG1 3.43Å
35I89.3Confident83Confident53 Ų5351.7 Ų51.727%0.27227%0.265SS..Hα-helixtrans-63.6-49.4173.2-65.8168.3000109.9I31 I32 I33 F37 G38 A39 G299 V302 I303I31-I35 HydrophobicContact CG2-CD1 3.95Å; I31-I35 HydrophobicContact CG2-CG1 4.46Å; I31-I35 VanDerWaalsContact O-CG1 3.31Å; I31-I35 WeakPolarHBondContact O-CG1 3.23Å; I31-I35 PolarHBondContact O-N 2.78Å; I32-I35 WeakPolarHBondContact O-CB 3.48Å; I32-I35 PolarHBondContact O-N 3.43Å; I33-I35 VanDerWaalsContact C-N 3.32Å; I33-I35 PolarHBondContact O-N 2.74Å; I35-F37 VanDerWaalsContact C-N 3.3Å; I35-F37 PolarHBondContact O-N 2.91Å; I35-G38 PolarHBondContact O-N 3.39Å; I35-A39 WeakPolarHBondContact O-CB 3.41Å; I35-A39 PolarHBondContact O-N 3.05Å; I35-G299 WeakPolarHBondContact CA-O 3.35Å; I35-G299 VanDerWaalsContact CG1-O 3.28Å; I35-G299 WeakPolarHBondContact CG1-O 3.23Å; I35-G299 PolarHBondContact N-O 2.96Å; I35-V302 HydrophobicContact CD1-CG2 4.07Å; I35-V302 HydrophobicContact CG1-CB 4.12Å; I35-V302 HydrophobicContact CG1-CG2 3.84Å; I35-I303 HydrophobicContact CB-CD1 4.44Å; I35-I303 HydrophobicContact CG2-CD1 3.78Å; I35-I303 HydrophobicContact CG2-CG1 4.41Å; I35-I303 WeakPolarHBondContact O-CD1 3.49Å
36I88Confident81.8Confident91 Ų9154.4 Ų54.447%0.46728%0.278SS..Hα-helixtrans-58.7-45.5178.4-68.5165.8000110.6I32 I33 A39 I40I32-I36 HydrophobicContact CG2-CD1 3.83Å; I32-I36 HydrophobicContact CG2-CG1 4.45Å; I32-I36 WeakPolarHBondContact O-CG1 3.34Å; I32-I36 PolarHBondContact O-N 3.18Å; I33-I36 PolarHBondContact O-N 3.47Å; I36-A39 WeakPolarHBondContact O-CB 3Å; I36-A39 PolarHBondContact O-N 3.45Å; I36-I40 HydrophobicContact CG2-CD1 3.71Å; I36-I40 HydrophobicContact CG2-CG1 4.41Å; I36-I40 VanDerWaalsContact O-CG1 3.24Å; I36-I40 WeakPolarHBondContact O-CG1 3.3Å; I36-I40 PolarHBondContact O-N 3.44Å
37F83.5Confident80.5Confident60 Ų6060.7 Ų60.726%0.26331%0.308SS..Hα-helixtrans-63.6-45.5178.5-176.2-103.5000112F3 I33 G34 I35 A39 I40 I41 I300F3-F37 HydrophobicContact CD2-CE1 4.2Å; F3-F37 HydrophobicContact CD2-CZ 4.48Å; F3-F37 HydrophobicContact CE2-CE1 4.41Å; I33-F37 VanDerWaalsContact O-CB 3.25Å; I33-F37 WeakPolarHBondContact O-CB 3.35Å; I33-F37 PolarHBondContact O-N 3.32Å; G34-F37 PolarHBondContact O-N 3.48Å; I35-F37 VanDerWaalsContact C-N 3.3Å; I35-F37 PolarHBondContact O-N 2.91Å; F37-A39 VanDerWaalsContact C-N 3.29Å; F37-A39 PolarHBondContact O-N 3.49Å; F37-I40 PolarHBondContact O-N 3.41Å; F37-I41 HydrophobicContact CD1-CD1 3.66Å; F37-I41 HydrophobicContact CE1-CD1 3.19Å; F37-I41 HydrophobicContact CE1-CG1 4.34Å; F37-I41 HydrophobicContact CE2-CD1 4.17Å; F37-I41 HydrophobicContact CG-CD1 4.34Å; F37-I41 HydrophobicContact CZ-CD1 3.48Å; F37-I41 VanDerWaalsContact CZ-CD1 3.48Å; F37-I41 HydrophobicContact CZ-CG1 4.38Å; F37-I41 WeakPolarHBondContact O-CG1 3.29Å; F37-I41 PolarHBondContact O-N 3.01Å; F37-I300 HydrophobicContact CD1-CD1 3.78Å; F37-I300 HydrophobicContact CD1-CG1 4.1Å; F37-I300 HydrophobicContact CE1-CD1 4.12Å
38G82.7Confident78.6Confident6 Ų662.3 Ų62.36%0.06233%0.325CS..Hα-helixtrans-59.4-38.5174.100000112.6G34 I35 R42G34-G38 PolarHBondContact O-N 2.93Å; I35-G38 PolarHBondContact O-N 3.39Å; G38-R42 WeakPolarHBondContact O-CB 3.4Å; G38-R42 PolarHBondContact O-N 2.99Å
39A84.3Confident76.6Confident29 Ų2966.6 Ų66.624%0.2436%0.36CS..Hα-helixtrans-67-47.4176.700000111.4I35 I36 F37 I41 R42 Y43 I303I35-A39 WeakPolarHBondContact O-CB 3.41Å; I35-A39 PolarHBondContact O-N 3.05Å; I36-A39 WeakPolarHBondContact O-CB 3Å; I36-A39 PolarHBondContact O-N 3.45Å; F37-A39 VanDerWaalsContact C-N 3.29Å; F37-A39 PolarHBondContact O-N 3.49Å; A39-I41 VanDerWaalsContact C-N 3.27Å; A39-I41 PolarHBondContact O-N 3.07Å; A39-R42 PolarHBondContact O-N 3.15Å; A39-Y43 HydrophobicContact CB-CD2 4.33Å; A39-Y43 WeakPolarHBondContact O-CB 3.23Å; A39-Y43 VanDerWaalsContact O-CD2 3.26Å; A39-Y43 WeakPolarHBondContact O-CD2 3.41Å; A39-Y43 PolarHBondContact O-N 3.32Å; A39-I303 HydrophobicContact CB-CD1 3.63Å
40I82.5Confident74.5Confident103 Ų10369.6 Ų69.653%0.52838%0.375SS..Hα-helixtrans-59.4-42.1178.5-68.9164.2000110.3I36 F37 G44I36-I40 HydrophobicContact CG2-CD1 3.71Å; I36-I40 HydrophobicContact CG2-CG1 4.41Å; I36-I40 VanDerWaalsContact O-CG1 3.24Å; I36-I40 WeakPolarHBondContact O-CG1 3.3Å; I36-I40 PolarHBondContact O-N 3.44Å; F37-I40 PolarHBondContact O-N 3.41Å; I40-G44 WeakPolarHBondContact O-CA 3.4Å; I40-G44 PolarHBondContact O-N 3.29Å
41I76.5Confident72.6Confident25 Ų2578.8 Ų78.813%0.12842%0.415CS..Iπ-helixtrans-64.4-53.6177.2-70.6174.7000110.6F37 A39 Y43 I45 D46 I52F37-I41 HydrophobicContact CD1-CD1 3.66Å; F37-I41 HydrophobicContact CE1-CD1 3.19Å; F37-I41 HydrophobicContact CE1-CG1 4.34Å; F37-I41 HydrophobicContact CE2-CD1 4.17Å; F37-I41 HydrophobicContact CG-CD1 4.34Å; F37-I41 HydrophobicContact CZ-CD1 3.48Å; F37-I41 VanDerWaalsContact CZ-CD1 3.48Å; F37-I41 HydrophobicContact CZ-CG1 4.38Å; F37-I41 WeakPolarHBondContact O-CG1 3.29Å; F37-I41 PolarHBondContact O-N 3.01Å; A39-I41 VanDerWaalsContact C-N 3.27Å; A39-I41 PolarHBondContact O-N 3.07Å; I41-Y43 PolarHBondContact O-N 3.12Å; I41-I45 HydrophobicContact CG1-CD1 4.14Å; I41-I45 PolarHBondContact O-N 3.05Å; I41-I45 VanDerWaalsContact O-N 3.11Å; I41-D46 PolarHBondContact O-N 2.71Å; I41-I52 HydrophobicContact CG2-CG2 3.4Å
42R75Confident70.6Confident131 Ų13180.4 Ų80.449%0.49442%0.423SS..Iπ-helixtrans-64.3-36.8-174.5-175.1173.1178.1-175.2-4.4113.3G38 A39 D46 I303G38-R42 WeakPolarHBondContact O-CB 3.4Å; G38-R42 PolarHBondContact O-N 2.99Å; A39-R42 PolarHBondContact O-N 3.15Å; R42-D46 WeakPolarHBondContact O-CB 3.34Å; R42-I303 HydrophobicContact CB-CG2 3.97Å; R42-I303 HydrophobicContact CG-CG2 4.32Å; R42-I303 PolarHBondContact NH1-O 3.29Å
43Y78.2Confident68.8Low169 Ų16980.9 Ų80.966%0.66343%0.426SS*.Iπ-helixtrans-98.3-30.1-178.1-66-68.1000113.7A39 I41A39-Y43 HydrophobicContact CB-CD2 4.33Å; A39-Y43 WeakPolarHBondContact O-CB 3.23Å; A39-Y43 VanDerWaalsContact O-CD2 3.26Å; A39-Y43 WeakPolarHBondContact O-CD2 3.41Å; A39-Y43 PolarHBondContact O-N 3.32Å; I41-Y43 PolarHBondContact O-N 3.12Å
44G70.7Confident67Low61 Ų6183.1 Ų83.163%0.62945%0.446SS*.Iπ-helixtrans-92.2-37-173.500000114.5I40I40-G44 WeakPolarHBondContact O-CA 3.4Å; I40-G44 PolarHBondContact O-N 3.29Å
45I66.7Low65.6Low86 Ų8688.3 Ų88.344%0.44147%0.466SS..Iπ-helixtrans-100.5-29-175-55.2175.6000111.1I41 Q47 I50 I52I41-I45 HydrophobicContact CG1-CD1 4.14Å; I41-I45 PolarHBondContact O-N 3.05Å; I41-I45 VanDerWaalsContact O-N 3.11Å; I45-Q47 VanDerWaalsContact C-N 3.32Å; I45-Q47 PolarHBondContact O-N 3.1Å; I45-Q47 VanDerWaalsContact O-N 3.17Å; I45-I50 HydrophobicContact CG2-CD1 4.21Å; I45-I52 HydrophobicContact CG2-CD1 4.1Å
46D55Low64.3Low75 Ų7591.3 Ų91.340%0.40148%0.477SS..THydrogen-bonded Turntrans-83.614.3-163.9-1213.1000116.2I41 R42 G48I41-D46 PolarHBondContact O-N 2.71Å; R42-D46 WeakPolarHBondContact O-CB 3.34Å; D46-G48 PolarHBondContact O-N 2.76Å
47Q54.8Low63.5Low195 Ų19587.7 Ų87.791%0.91146%0.458SS*.THydrogen-bonded Turntrans-71.4-5.8168-74.8-166.49.200113.5I45I45-Q47 VanDerWaalsContact C-N 3.32Å; I45-Q47 PolarHBondContact O-N 3.1Å; I45-Q47 VanDerWaalsContact O-N 3.17Å
48G43.3Very low63.1Low40 Ų4087.1 Ų87.141%0.41246%0.459SS..SBendtrans-155.699.7-177.900000114.9D46 I50D46-G48 PolarHBondContact O-N 2.76Å; G48-I50 VanDerWaalsContact C-N 3.31Å; G48-I50 PolarHBondContact O-N 2.73Å
49S46.9Very low62.6Low130 Ų13088.1 Ų88.191%0.90947%0.465SS*.SBendtrans67.3-4.4145.5-51.90000120.5K51S49-K51 PolarHBondContact O-N 3.19Å
50I43.8Very low62.5Low89 Ų8993.7 Ų93.746%0.45649%0.486SS..  trans-89.4108.7171.9-30.8177.7000107.8I45 G48 I52I45-I50 HydrophobicContact CG2-CD1 4.21Å; G48-I50 VanDerWaalsContact C-N 3.31Å; G48-I50 PolarHBondContact O-N 2.73Å; I50-I52 HydrophobicContact CB-CB 4.44Å; I50-I52 HydrophobicContact CB-CD1 3.44Å; I50-I52 VanDerWaalsContact CB-CD1 3.44Å; I50-I52 HydrophobicContact CB-CG1 3.55Å; I50-I52 HydrophobicContact CD1-CD1 3.61Å; I50-I52 HydrophobicContact CG1-CD1 4.06Å; I50-I52 HydrophobicContact CG2-CD1 3.52Å; I50-I52 HydrophobicContact CG2-CG1 3.32Å; I50-I52 PolarHBondContact O-N 2.83Å
51K48.7Very low62.6Low198 Ų19891.9 Ų91.986%0.86148%0.477SS*.  trans-61.263167.7-74.4177.2171.9179.50110.5S49 L53 S54S49-K51 PolarHBondContact O-N 3.19Å; K51-L53 PolarHBondContact O-N 3.21Å; K51-L53 VanDerWaalsContact O-N 3.14Å; K51-S54 PolarHBondContact O-N 3.45Å; K51-S54 PolarHBondContact O-OG 3.07Å; K51-S54 VanDerWaalsContact O-OG 3.11Å
52I47.4Very low63Low34 Ų3490.8 Ų90.817%0.17447%0.471CS..  trans-8015.4-168.8-87.2172000113.9I41 I45 I50 S54I41-I52 HydrophobicContact CG2-CG2 3.4Å; I45-I52 HydrophobicContact CG2-CD1 4.1Å; I50-I52 HydrophobicContact CB-CB 4.44Å; I50-I52 HydrophobicContact CB-CD1 3.44Å; I50-I52 VanDerWaalsContact CB-CD1 3.44Å; I50-I52 HydrophobicContact CB-CG1 3.55Å; I50-I52 HydrophobicContact CD1-CD1 3.61Å; I50-I52 HydrophobicContact CG1-CD1 4.06Å; I50-I52 HydrophobicContact CG2-CD1 3.52Å; I50-I52 HydrophobicContact CG2-CG1 3.32Å; I50-I52 PolarHBondContact O-N 2.83Å; I52-S54 PolarHBondContact O-N 3.38Å
53L50.6Low63.6Low77 Ų7785.9 Ų85.940%0.40345%0.453SS..G310 helixtrans-68.920.9147.2-124.278000112.2K51 W55 K56K51-L53 PolarHBondContact O-N 3.21Å; K51-L53 VanDerWaalsContact O-N 3.14Å; L53-W55 PolarHBondContact O-N 3.5Å; L53-K56 HydrophobicContact CB-CD 4.43Å; L53-K56 HydrophobicContact CB-CG 4.14Å; L53-K56 HydrophobicContact CD2-CD 4.05Å; L53-K56 HydrophobicContact CD2-CG 3.65Å; L53-K56 HydrophobicContact CG-CD 4.41Å; L53-K56 HydrophobicContact CG-CG 3.74Å; L53-K56 WeakPolarHBondContact O-CD 3.17Å; L53-K56 WeakPolarHBondContact O-CG 3.4Å; L53-K56 PolarHBondContact O-N 2.91Å
54S51.4Low64.1Low94 Ų9480.7 Ų80.766%0.65744%0.437SS*.G310 helixtrans-63.1-19.4163.7-22.50000111.6K51 I52 K56K51-S54 PolarHBondContact O-N 3.45Å; K51-S54 PolarHBondContact O-OG 3.07Å; K51-S54 VanDerWaalsContact O-OG 3.11Å; I52-S54 PolarHBondContact O-N 3.38Å; S54-K56 VanDerWaalsContact C-N 3.26Å; S54-K56 PolarHBondContact O-N 3.21Å
55W57.9Low65Low109 Ų10985.4 Ų85.441%0.41344%0.437SS..G310 helixtrans-92.536.4170.3-57.778.1000111.5F3 L53 F57 F297F3-W55 HydrophobicContact CB-CH2 3.47Å; F3-W55 VanDerWaalsContact CB-CH2 3.47Å; F3-W55 HydrophobicContact CB-CZ3 3.41Å; F3-W55 VanDerWaalsContact CB-CZ3 3.41Å; F3-W55 HydrophobicContact CD1-CZ3 4.13Å; F3-W55 HydrophobicContact CD2-CE3 4.21Å; F3-W55 HydrophobicContact CD2-CH2 4.33Å; F3-W55 AromaticContact CD2-CZ3 3.68Å; F3-W55 HydrophobicContact CD2-CZ3 3.68Å; F3-W55 HydrophobicContact CE2-CZ3 4.4Å; F3-W55 HydrophobicContact CG-CE3 4.39Å; F3-W55 HydrophobicContact CG-CH2 4.07Å; F3-W55 AromaticContact CG-CZ3 3.49Å; F3-W55 HydrophobicContact CG-CZ3 3.49Å; F3-W55 VanDerWaalsContact CG-CZ3 3.49Å; L53-W55 PolarHBondContact O-N 3.5Å; W55-F57 PolarHBondContact O-N 3.43Å; W55-F297 HydrophobicContact CB-CE1 4.4Å; W55-F297 HydrophobicContact CE3-CE1 4.43Å; W55-F297 HydrophobicContact CE3-CZ 4.36Å
56K63.4Low66.1Low116 Ų11682.1 Ų82.150%0.50442%0.42SS..  trans-61.6121.9167.9-86.6164.3-169.4-910107.7L53 S54 T58L53-K56 HydrophobicContact CB-CD 4.43Å; L53-K56 HydrophobicContact CB-CG 4.14Å; L53-K56 HydrophobicContact CD2-CD 4.05Å; L53-K56 HydrophobicContact CD2-CG 3.65Å; L53-K56 HydrophobicContact CG-CD 4.41Å; L53-K56 HydrophobicContact CG-CG 3.74Å; L53-K56 WeakPolarHBondContact O-CD 3.17Å; L53-K56 WeakPolarHBondContact O-CG 3.4Å; L53-K56 PolarHBondContact O-N 2.91Å; S54-K56 VanDerWaalsContact C-N 3.26Å; S54-K56 PolarHBondContact O-N 3.21Å; K56-T58 VanDerWaalsContact C-N 3.35Å; K56-T58 HydrophobicContact CB-CG2 4.3Å; K56-T58 PolarHBondContact O-N 2.98Å
57F70.3Confident67.8Low14 Ų1478.9 Ų78.96%0.06140%0.403CS..  trans-64.499.9165.3179.4-100.8000107.3W55 F62 L66 F297 F365 S366 I369W55-F57 PolarHBondContact O-N 3.43Å; F57-F62 HydrophobicContact CE1-CB 4.19Å; F57-F62 HydrophobicContact CE1-CG 4.49Å; F57-F62 HydrophobicContact CE2-CB 4.25Å; F57-F62 HydrophobicContact CE2-CD2 4.24Å; F57-F62 HydrophobicContact CZ-CB 3.65Å; F57-F62 AromaticContact CZ-CD2 3.55Å; F57-F62 HydrophobicContact CZ-CD2 3.55Å; F57-F62 HydrophobicContact CZ-CE2 4.43Å; F57-F62 AromaticContact CZ-CG 3.84Å; F57-F62 HydrophobicContact CZ-CG 3.84Å; F57-L66 HydrophobicContact CE2-CD1 4.03Å; F57-F297 HydrophobicContact CB-CB 4.35Å; F57-F297 HydrophobicContact CB-CD1 4.16Å; F57-F297 HydrophobicContact CB-CG 4.31Å; F57-F297 HydrophobicContact CD2-CB 3.71Å; F57-F297 HydrophobicContact CD2-CD1 4.37Å; F57-F297 AromaticContact CD2-CD2 3.86Å; F57-F297 HydrophobicContact CD2-CD2 3.86Å; F57-F297 AromaticContact CD2-CG 3.75Å; F57-F297 HydrophobicContact CD2-CG 3.75Å; F57-F297 HydrophobicContact CE2-CB 4.34Å; F57-F297 HydrophobicContact CE2-CD2 4.44Å; F57-F297 HydrophobicContact CG-CB 4.28Å; F57-F297 HydrophobicContact CG-CG 4.45Å; F57-F365 HydrophobicContact CD1-CD1 4.43Å; F57-F365 AromaticContact CD1-CE1 3.83Å; F57-F365 HydrophobicContact CD1-CE1 3.83Å; F57-F365 HydrophobicContact CE1-CD1 4.2Å; F57-F365 HydrophobicContact CE1-CE1 4.05Å; F57-F365 HydrophobicContact CG-CE1 4.4Å; F57-S366 VanDerWaalsContact CE1-OG 3.31Å; F57-S366 WeakPolarHBondContact CE1-OG 3.43Å; F57-S366 VanDerWaalsContact CZ-OG 3.27Å; F57-S366 WeakPolarHBondContact CZ-OG 3.38Å; F57-I369 HydrophobicContact CD1-CD1 4.06Å
58T75.3Confident69.7Low48 Ų4869.8 Ų69.829%0.29436%0.361SS..  trans-89.2142.5179.164.70000110K56 E60 I61 F62K56-T58 VanDerWaalsContact C-N 3.35Å; K56-T58 HydrophobicContact CB-CG2 4.3Å; K56-T58 PolarHBondContact O-N 2.98Å; T58-E60 PolarHBondContact O-N 3.41Å; T58-I61 PolarHBondContact O-N 3.33Å; T58-I61 VanDerWaalsContact OG1-CD1 3.29Å; T58-I61 WeakPolarHBondContact OG1-CD1 3.45Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.49Å; T58-I61 PolarHBondContact OG1-N 3.36Å; T58-F62 PolarHBondContact O-N 3.23Å
59P72.4Confident72.2Confident28 Ų2868.9 Ų68.918%0.18235%0.348CS..Hα-helixtrans-56.8-33.1174.7-26.735000113.2I61 F62 F63 I369 L370P59-I61 VanDerWaalsContact C-N 3.32Å; P59-I61 PolarHBondContact O-N 3.39Å; P59-F62 PolarHBondContact O-N 3.13Å; P59-F63 HydrophobicContact CB-CD2 4.41Å; P59-F63 WeakPolarHBondContact O-CD2 3.39Å; P59-F63 PolarHBondContact O-N 3.27Å; P59-I369 HydrophobicContact CG-CG2 4.33Å; P59-L370 HydrophobicContact CB-CB 4.03Å; P59-L370 HydrophobicContact CB-CD1 3.63Å; P59-L370 HydrophobicContact CB-CD2 4.4Å; P59-L370 HydrophobicContact CB-CG 4.22Å; P59-L370 HydrophobicContact CG-CB 3.8Å; P59-L370 HydrophobicContact CG-CD1 3.74Å; P59-L370 HydrophobicContact CG-CG 4.33Å
60E81.3Confident74.3Confident145 Ų14564.2 Ų64.268%0.67831%0.312SS*.Hα-helixtrans-60.2-41.8175-66.2-175.3167.700112.1T58 F62 N64T58-E60 PolarHBondContact O-N 3.41Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 2.97Å; E60-N64 WeakPolarHBondContact O-CB 3.44Å; E60-N64 PolarHBondContact O-N 3.24Å; E60-N64 PolarHBondContact O-ND2 2.84Å
61I85.3Confident76.7Confident66 Ų6660.3 Ų60.334%0.33829%0.292SS..Hα-helixtrans-63.9-42.9176.4-69.1167.1000110T58 P59 Y65 L66T58-I61 PolarHBondContact O-N 3.33Å; T58-I61 VanDerWaalsContact OG1-CD1 3.29Å; T58-I61 WeakPolarHBondContact OG1-CD1 3.45Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.49Å; T58-I61 PolarHBondContact OG1-N 3.36Å; P59-I61 VanDerWaalsContact C-N 3.32Å; P59-I61 PolarHBondContact O-N 3.39Å; I61-Y65 WeakPolarHBondContact O-CB 3.31Å; I61-Y65 PolarHBondContact O-N 3.38Å; I61-L66 HydrophobicContact CG2-CD1 3.83Å; I61-L66 HydrophobicContact CG2-CG 4.12Å; I61-L66 PolarHBondContact O-N 2.98Å; I61-L66 VanDerWaalsContact O-N 3.14Å
62F85.5Confident78.9Confident2 Ų251.2 Ų51.21%0.00925%0.253CS..Iπ-helixtrans-63-59.5179.4-178.7-106.1000112.5F57 T58 P59 E60 L66 L67 I294 V363 S366F57-F62 HydrophobicContact CE1-CB 4.19Å; F57-F62 HydrophobicContact CE1-CG 4.49Å; F57-F62 HydrophobicContact CE2-CB 4.25Å; F57-F62 HydrophobicContact CE2-CD2 4.24Å; F57-F62 HydrophobicContact CZ-CB 3.65Å; F57-F62 AromaticContact CZ-CD2 3.55Å; F57-F62 HydrophobicContact CZ-CD2 3.55Å; F57-F62 HydrophobicContact CZ-CE2 4.43Å; F57-F62 AromaticContact CZ-CG 3.84Å; F57-F62 HydrophobicContact CZ-CG 3.84Å; T58-F62 PolarHBondContact O-N 3.23Å; P59-F62 PolarHBondContact O-N 3.13Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 2.97Å; F62-L66 HydrophobicContact CD2-CB 4.47Å; F62-L66 PolarHBondContact O-N 3.31Å; F62-L67 HydrophobicContact CD1-CB 4.42Å; F62-L67 HydrophobicContact CE1-CB 4.19Å; F62-L67 HydrophobicContact CE1-CD1 4.1Å; F62-L67 HydrophobicContact CE1-CD2 3.92Å; F62-L67 HydrophobicContact CE1-CG 4.27Å; F62-L67 HydrophobicContact CE2-CB 4.44Å; F62-L67 HydrophobicContact CE2-CD1 4.36Å; F62-L67 HydrophobicContact CZ-CB 4.23Å; F62-L67 HydrophobicContact CZ-CD1 3.71Å; F62-L67 HydrophobicContact CZ-CD2 4.39Å; F62-L67 HydrophobicContact CZ-CG 4.3Å; F62-L67 VanDerWaalsContact O-CB 3.23Å; F62-L67 WeakPolarHBondContact O-CB 3.3Å; F62-L67 PolarHBondContact O-N 3.28Å; F62-I294 HydrophobicContact CD2-CD1 4.14Å; F62-I294 HydrophobicContact CD2-CG1 4.23Å; F62-I294 HydrophobicContact CE2-CD1 3.78Å; F62-I294 HydrophobicContact CE2-CG1 4.23Å; F62-V363 HydrophobicContact CZ-CG2 4.06Å; F62-S366 VanDerWaalsContact CD1-CB 3.44Å; F62-S366 VanDerWaalsContact CD2-OG 3.31Å; F62-S366 WeakPolarHBondContact CD2-OG 3.4Å; F62-S366 VanDerWaalsContact CE1-CB 3.47Å; F62-S366 VanDerWaalsContact CE2-OG 3.24Å; F62-S366 WeakPolarHBondContact CE2-OG 3.3Å; F62-S366 WeakPolarHBondContact CG-OG 3.4Å; F62-S366 WeakPolarHBondContact CZ-OG 3.36Å
63F86.1Confident81.1Confident27 Ų2751.1 Ų51.112%0.11825%0.252CS..Iπ-helixtrans-71.5-36.2-173.3-77.5-69.8000113.3P59 L67 P68 V174 Y242 I253 L367 L370P59-F63 HydrophobicContact CB-CD2 4.41Å; P59-F63 WeakPolarHBondContact O-CD2 3.39Å; P59-F63 PolarHBondContact O-N 3.27Å; F63-L67 HydrophobicContact CD1-CD2 3.63Å; F63-L67 HydrophobicContact CE1-CD2 3.79Å; F63-P68 VanDerWaalsContact O-CD 3.26Å; F63-P68 WeakPolarHBondContact O-CD 3.5Å; F63-P68 WeakPolarHBondContact O-CG 3.41Å; F63-V174 HydrophobicContact CE1-CG1 4.31Å; F63-V174 HydrophobicContact CE1-CG2 4.23Å; F63-Y242 PolarHBondContact O-OH 3.32Å; F63-Y242 VanDerWaalsContact O-OH 3.05Å; F63-I253 HydrophobicContact CE1-CD1 4.39Å; F63-L367 HydrophobicContact CE2-CD2 4.3Å; F63-L367 HydrophobicContact CZ-CD2 3.65Å; F63-L370 HydrophobicContact CD2-CD2 4.38Å; F63-L370 HydrophobicContact CE2-CD2 3.72Å
64N89.3Confident83Confident61 Ų6148.2 Ų48.233%0.32624%0.238SC..Iπ-helixtrans-86.8-28.4-175.3-62.2-32.1000113.5E60 Y239E60-N64 WeakPolarHBondContact O-CB 3.44Å; E60-N64 PolarHBondContact O-N 3.24Å; E60-N64 PolarHBondContact O-ND2 2.84Å; N64-Y239 WeakPolarHBondContact O-CE2 3.11Å; N64-Y239 PolarHBondContact O-OH 3Å
65Y89.6Confident85Confident160 Ų16043.7 Ų43.763%0.62721%0.206SC*.Iπ-helixtrans-123.6-43.8-170.7-58.7-80.5000114.7I61 P69I61-Y65 WeakPolarHBondContact O-CB 3.31Å; I61-Y65 PolarHBondContact O-N 3.38Å; Y65-P69 WeakPolarHBondContact O-CD 3.45Å; Y65-P69 WeakPolarHBondContact O-CG 3.26Å
66L90.4Very high86.6Confident17 Ų1738.6 Ų38.69%0.08919%0.187CC..Iπ-helixtrans-86-45-172.2-62.6172.4000112.9F57 I61 F62 P69 I70 S290 V293 I294F57-L66 HydrophobicContact CE2-CD1 4.03Å; I61-L66 HydrophobicContact CG2-CD1 3.83Å; I61-L66 HydrophobicContact CG2-CG 4.12Å; I61-L66 PolarHBondContact O-N 2.98Å; I61-L66 VanDerWaalsContact O-N 3.14Å; F62-L66 HydrophobicContact CD2-CB 4.47Å; F62-L66 PolarHBondContact O-N 3.31Å; L66-P69 WeakPolarHBondContact O-CD 3.48Å; L66-I70 WeakPolarHBondContact O-CD1 3.5Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L66-S290 VanDerWaalsContact O-CB 3.32Å; L66-S290 WeakPolarHBondContact O-CB 3.27Å; L66-S290 PolarHBondContact O-OG 2.91Å; L66-V293 HydrophobicContact CD1-CG1 4.13Å; L66-V293 HydrophobicContact CD2-CB 4.25Å; L66-V293 HydrophobicContact CD2-CG1 3.89Å; L66-I294 HydrophobicContact CB-CD1 4.02Å; L66-I294 HydrophobicContact CB-CG1 4.14Å; L66-I294 HydrophobicContact CD1-CG1 3.89Å
67L90.7Very high87.7Confident7 Ų735 Ų354%0.03718%0.176CC..Hα-helixtrans-70.3-42.6-176-174.471.2000113.6F62 F63 I70 I71 I253 V363F62-L67 HydrophobicContact CD1-CB 4.42Å; F62-L67 HydrophobicContact CE1-CB 4.19Å; F62-L67 HydrophobicContact CE1-CD1 4.1Å; F62-L67 HydrophobicContact CE1-CD2 3.92Å; F62-L67 HydrophobicContact CE1-CG 4.27Å; F62-L67 HydrophobicContact CE2-CB 4.44Å; F62-L67 HydrophobicContact CE2-CD1 4.36Å; F62-L67 HydrophobicContact CZ-CB 4.23Å; F62-L67 HydrophobicContact CZ-CD1 3.71Å; F62-L67 HydrophobicContact CZ-CD2 4.39Å; F62-L67 HydrophobicContact CZ-CG 4.3Å; F62-L67 VanDerWaalsContact O-CB 3.23Å; F62-L67 WeakPolarHBondContact O-CB 3.3Å; F62-L67 PolarHBondContact O-N 3.28Å; F63-L67 HydrophobicContact CD1-CD2 3.63Å; F63-L67 HydrophobicContact CE1-CD2 3.79Å; L67-I70 PolarHBondContact O-N 2.93Å; L67-I70 VanDerWaalsContact O-N 3.11Å; L67-I71 HydrophobicContact CD1-CD1 4.09Å; L67-I71 HydrophobicContact CD1-CG1 4.24Å; L67-I71 HydrophobicContact CD2-CD1 3.87Å; L67-I71 HydrophobicContact CG-CD1 3.52Å; L67-I71 HydrophobicContact CG-CG1 4.15Å; L67-I71 PolarHBondContact O-N 3.49Å; L67-I71 VanDerWaalsContact O-N 3.1Å; L67-I253 HydrophobicContact CD2-CD1 3.7Å; L67-I253 HydrophobicContact CD2-CG1 4.13Å; L67-V363 HydrophobicContact CD1-CG2 4.29Å
68P94.7Very high88.2Confident3 Ų334.4 Ų34.42%0.01917%0.173CC..Hα-helixtrans-58.8-44.7-175.3-25.536.4000114.4F63 I70 I71 L72 Y239 Y242 M256F63-P68 VanDerWaalsContact O-CD 3.26Å; F63-P68 WeakPolarHBondContact O-CD 3.5Å; F63-P68 WeakPolarHBondContact O-CG 3.41Å; P68-I70 VanDerWaalsContact C-N 3.29Å; P68-I70 PolarHBondContact O-N 3.36Å; P68-I71 PolarHBondContact O-N 2.98Å; P68-L72 WeakPolarHBondContact O-CB 3.45Å; P68-L72 PolarHBondContact O-N 3Å; P68-Y239 HydrophobicContact CB-CD2 4Å; P68-Y239 HydrophobicContact CB-CE2 3.93Å; P68-Y239 HydrophobicContact CG-CE2 3.99Å; P68-Y242 HydrophobicContact CG-CE1 4.38Å; P68-M256 HydrophobicContact CB-CE 3.62Å; P68-M256 HydrophobicContact CB-SD 3.92Å
69P94.4Very high88Confident22 Ų2235.8 Ų35.814%0.14317%0.174CC..Hα-helixtrans-60.1-36175.1-24.734.8000114.2Y65 L66 L72 E73 I283 I286Y65-P69 WeakPolarHBondContact O-CD 3.45Å; Y65-P69 WeakPolarHBondContact O-CG 3.26Å; L66-P69 WeakPolarHBondContact O-CD 3.48Å; P69-L72 PolarHBondContact O-N 2.93Å; P69-E73 WeakPolarHBondContact O-CB 3.43Å; P69-E73 PolarHBondContact O-N 3.21Å; P69-I283 HydrophobicContact CB-CD1 4.08Å; P69-I286 HydrophobicContact CB-CB 4.32Å; P69-I286 HydrophobicContact CB-CG2 3.51Å; P69-I286 HydrophobicContact CG-CG2 3.66Å
70I92.1Very high87.7Confident31 Ų3137.2 Ų37.216%0.15918%0.18CC..Hα-helixtrans-67.4-47.6-179.1-61.5169000110.5L66 L67 P68 L72 S74 S287 E291 I294L66-I70 WeakPolarHBondContact O-CD1 3.5Å; L66-I70 WeakPolarHBondContact O-CG1 3.43Å; L67-I70 PolarHBondContact O-N 2.93Å; L67-I70 VanDerWaalsContact O-N 3.11Å; P68-I70 VanDerWaalsContact C-N 3.29Å; P68-I70 PolarHBondContact O-N 3.36Å; I70-L72 VanDerWaalsContact C-N 3.32Å; I70-L72 PolarHBondContact O-N 3.01Å; I70-S74 VanDerWaalsContact O-CB 3.31Å; I70-S74 WeakPolarHBondContact O-CB 3.48Å; I70-S74 PolarHBondContact O-N 3.12Å; I70-S74 PolarHBondContact O-OG 3.37Å; I70-S287 WeakPolarHBondContact CA-OG 3.45Å; I70-E291 HydrophobicContact CD1-CB 4.31Å; I70-I294 HydrophobicContact CD1-CD1 3.43Å; I70-I294 VanDerWaalsContact CD1-CD1 3.43Å
71I93.2Very high86.9Confident7 Ų735.9 Ų35.94%0.03617%0.169CC..Hα-helixtrans-62.7-42.6177.2-63.7159.7000110.5L67 P68 S74 A75 L167 I253 M256 I257L67-I71 HydrophobicContact CD1-CD1 4.09Å; L67-I71 HydrophobicContact CD1-CG1 4.24Å; L67-I71 HydrophobicContact CD2-CD1 3.87Å; L67-I71 HydrophobicContact CG-CD1 3.52Å; L67-I71 HydrophobicContact CG-CG1 4.15Å; L67-I71 PolarHBondContact O-N 3.49Å; L67-I71 VanDerWaalsContact O-N 3.1Å; P68-I71 PolarHBondContact O-N 2.98Å; I71-S74 PolarHBondContact O-N 3.46Å; I71-A75 VanDerWaalsContact O-CB 3.31Å; I71-A75 WeakPolarHBondContact O-CB 3.5Å; I71-A75 PolarHBondContact O-N 2.86Å; I71-L167 HydrophobicContact CG2-CD1 4.36Å; I71-I253 HydrophobicContact CD1-CB 4.09Å; I71-I253 HydrophobicContact CD1-CD1 4.43Å; I71-I253 HydrophobicContact CD1-CG1 3.79Å; I71-I253 HydrophobicContact CD1-CG2 3.6Å; I71-I253 HydrophobicContact CG1-CG2 4.28Å; I71-I253 HydrophobicContact CG2-CG2 4.45Å; I71-M256 HydrophobicContact CB-SD 4.22Å; I71-M256 HydrophobicContact CG2-CB 4.3Å; I71-M256 HydrophobicContact CG2-CG 4.22Å; I71-M256 HydrophobicContact CG2-SD 4.33Å; I71-I257 HydrophobicContact CG2-CD1 4.17Å; I71-I257 HydrophobicContact CG2-CG1 3.42Å; I71-I257 VanDerWaalsContact CG2-CG1 3.42Å
72L94.9Very high86Confident8 Ų834.4 Ų34.44%0.04216%0.163CC..Hα-helixtrans-67.8-44.5-176.9-173.560.6000112.2P68 P69 I70 S74 A75 Y76 L235 S238 M256 I283P68-L72 WeakPolarHBondContact O-CB 3.45Å; P68-L72 PolarHBondContact O-N 3Å; P69-L72 PolarHBondContact O-N 2.93Å; I70-L72 VanDerWaalsContact C-N 3.32Å; I70-L72 PolarHBondContact O-N 3.01Å; L72-S74 VanDerWaalsContact C-N 3.28Å; L72-S74 PolarHBondContact O-N 3.36Å; L72-A75 PolarHBondContact O-N 2.87Å; L72-Y76 HydrophobicContact CD1-CD1 4.31Å; L72-Y76 HydrophobicContact CD1-CE1 3.7Å; L72-Y76 HydrophobicContact CD1-CE2 4.1Å; L72-Y76 HydrophobicContact CD2-CE2 4.27Å; L72-Y76 HydrophobicContact CG-CD2 4.42Å; L72-Y76 HydrophobicContact CG-CE1 4.38Å; L72-Y76 HydrophobicContact CG-CE2 3.87Å; L72-Y76 PolarHBondContact O-N 3.41Å; L72-L235 HydrophobicContact CD2-CD2 3.8Å; L72-S238 VanDerWaalsContact CD2-OG 3.22Å; L72-S238 WeakPolarHBondContact CD2-OG 3.36Å; L72-M256 HydrophobicContact CB-CG 4.44Å; L72-M256 HydrophobicContact CB-SD 4.05Å; L72-M256 HydrophobicContact CD1-CG 4.29Å; L72-I283 HydrophobicContact CB-CD1 4.23Å; L72-I283 HydrophobicContact CB-CG1 4.18Å; L72-I283 HydrophobicContact CD2-CD1 3.84Å; L72-I283 HydrophobicContact CD2-CG1 4.18Å; L72-I283 HydrophobicContact CG-CD1 4.29Å; L72-I283 HydrophobicContact CG-CG1 4.16Å
73E94.3Very high85.5Confident32 Ų3234.7 Ų34.715%0.1516%0.164CC..Hα-helixtrans-56.3-48.4171.6-171.4-72.1142.400109.9P69 A75 Y76 S77 I283 R284P69-E73 WeakPolarHBondContact O-CB 3.43Å; P69-E73 PolarHBondContact O-N 3.21Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.26Å; E73-Y76 PolarHBondContact O-N 3.16Å; E73-Y76 VanDerWaalsContact O-N 3.16Å; E73-S77 WeakPolarHBondContact O-CB 3.48Å; E73-S77 PolarHBondContact O-N 3.49Å; E73-S77 PolarHBondContact O-OG 3.28Å; E73-S77 PolarHBondContact OE1-OG 3.02Å; E73-I283 HydrophobicContact CB-CG1 4.02Å; E73-I283 HydrophobicContact CB-CG2 4.11Å; E73-I283 HydrophobicContact CG-CG2 4.17Å; E73-R284 HydrophobicContact CG-CB 4.35Å
74S91.3Very high84.8Confident15 Ų1537.2 Ų37.211%0.10519%0.185CC..Hα-helixtrans-62.1-42.8-177.9-63.60000111.6I70 I71 L72 Y76 S77 L78 F163 L167I70-S74 VanDerWaalsContact O-CB 3.31Å; I70-S74 WeakPolarHBondContact O-CB 3.48Å; I70-S74 PolarHBondContact O-N 3.12Å; I70-S74 PolarHBondContact O-OG 3.37Å; I71-S74 PolarHBondContact O-N 3.46Å; L72-S74 VanDerWaalsContact C-N 3.28Å; L72-S74 PolarHBondContact O-N 3.36Å; S74-Y76 PolarHBondContact O-N 3.47Å; S74-S77 PolarHBondContact O-N 3.12Å; S74-L78 WeakPolarHBondContact O-CB 3.4Å; S74-L78 PolarHBondContact O-N 3.25Å; S74-F163 WeakPolarHBondContact O-CZ 3.32Å; S74-L167 VanDerWaalsContact CB-CD1 3.41Å
75A92.1Very high84.1Confident0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-64.2-37.3177.700000112.6I71 L72 E73I71-A75 VanDerWaalsContact O-CB 3.31Å; I71-A75 WeakPolarHBondContact O-CB 3.5Å; I71-A75 PolarHBondContact O-N 2.86Å; L72-A75 PolarHBondContact O-N 2.87Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.26Å
76Y92Very high83.6Confident2 Ų231.5 Ų31.51%0.00816%0.161CC..Hα-helixtrans-69.6-43.4174.8-69.7-13.5000112.3L72 E73 S74 L78 I234 L235 Q263 T264 F268 V279 I283L72-Y76 HydrophobicContact CD1-CD1 4.31Å; L72-Y76 HydrophobicContact CD1-CE1 3.7Å; L72-Y76 HydrophobicContact CD1-CE2 4.1Å; L72-Y76 HydrophobicContact CD2-CE2 4.27Å; L72-Y76 HydrophobicContact CG-CD2 4.42Å; L72-Y76 HydrophobicContact CG-CE1 4.38Å; L72-Y76 HydrophobicContact CG-CE2 3.87Å; L72-Y76 PolarHBondContact O-N 3.41Å; E73-Y76 PolarHBondContact O-N 3.16Å; E73-Y76 VanDerWaalsContact O-N 3.16Å; S74-Y76 PolarHBondContact O-N 3.47Å; Y76-L78 VanDerWaalsContact C-N 3.25Å; Y76-L78 PolarHBondContact O-N 3.26Å; Y76-I234 WeakPolarHBondContact OH-CG2 2.85Å; Y76-L235 HydrophobicContact CE2-CD2 4.5Å; Y76-Q263 HydrophobicContact CE1-CB 4.09Å; Y76-Q263 PolarHBondContact OH-OE1 3.27Å; Y76-T264 WeakPolarHBondContact CA-OG1 3.5Å; Y76-T264 WeakPolarHBondContact CD1-OG1 3.47Å; Y76-F268 HydrophobicContact CD1-CE2 4.23Å; Y76-F268 HydrophobicContact CD1-CZ 4.09Å; Y76-F268 HydrophobicContact CD2-CE2 4.42Å; Y76-F268 AromaticContact CD2-CZ 3.89Å; Y76-F268 HydrophobicContact CD2-CZ 3.89Å; Y76-F268 HydrophobicContact CE1-CZ 4.02Å; Y76-F268 AromaticContact CE2-CZ 3.88Å; Y76-F268 HydrophobicContact CE2-CZ 3.88Å; Y76-F268 HydrophobicContact CG-CE2 4.16Å; Y76-F268 HydrophobicContact CG-CZ 4.02Å; Y76-F268 AromaticContact CZ-CZ 3.94Å; Y76-V279 HydrophobicContact CD2-CG1 4.22Å; Y76-V279 HydrophobicContact CE2-CG1 3.63Å; Y76-I283 HydrophobicContact CD2-CG2 3.98Å; Y76-I283 HydrophobicContact CE2-CG2 4.43Å
77S85.4Confident83.4Confident39 Ų3934.4 Ų34.427%0.27318%0.176SC..Hα-helixtrans-68.1-25.3177.1-730000112.6E73 S74E73-S77 WeakPolarHBondContact O-CB 3.48Å; E73-S77 PolarHBondContact O-N 3.49Å; E73-S77 PolarHBondContact O-OG 3.28Å; E73-S77 PolarHBondContact OE1-OG 3.02Å; S74-S77 PolarHBondContact O-N 3.12Å
78L81.6Confident83.1Confident2 Ų235.5 Ų35.51%0.0119%0.189CC..Hα-helixtrans-72.8-36.8179.9-168.666000112.8S74 Y76 N80 F83 F163 L167 L261S74-L78 WeakPolarHBondContact O-CB 3.4Å; S74-L78 PolarHBondContact O-N 3.25Å; Y76-L78 VanDerWaalsContact C-N 3.25Å; Y76-L78 PolarHBondContact O-N 3.26Å; L78-N80 VanDerWaalsContact C-N 3.3Å; L78-N80 PolarHBondContact O-N 3.18Å; L78-F83 HydrophobicContact CD1-CD1 4.37Å; L78-F83 HydrophobicContact CD1-CD2 3.5Å; L78-F83 HydrophobicContact CD1-CE1 4.21Å; L78-F83 HydrophobicContact CD1-CE2 3.31Å; L78-F83 HydrophobicContact CD1-CG 4.06Å; L78-F83 HydrophobicContact CD1-CZ 3.7Å; L78-F83 HydrophobicContact CD2-CD1 4.48Å; L78-F83 HydrophobicContact CD2-CE1 3.78Å; L78-F83 HydrophobicContact CD2-CE2 4.09Å; L78-F83 HydrophobicContact CD2-CZ 3.56Å; L78-F83 HydrophobicContact CG-CD1 3.9Å; L78-F83 HydrophobicContact CG-CD2 3.96Å; L78-F83 HydrophobicContact CG-CE1 3.68Å; L78-F83 HydrophobicContact CG-CE2 3.76Å; L78-F83 HydrophobicContact CG-CG 4.05Å; L78-F83 HydrophobicContact CG-CZ 3.62Å; L78-F83 WeakPolarHBondContact O-CB 3.08Å; L78-F83 VanDerWaalsContact O-CG 3.32Å; L78-F83 WeakPolarHBondContact O-CG 3.37Å; L78-F163 HydrophobicContact CB-CE1 3.86Å; L78-F163 HydrophobicContact CD1-CD1 3.46Å; L78-F163 VanDerWaalsContact CD1-CD1 3.46Å; L78-F163 HydrophobicContact CD1-CE1 3.68Å; L78-F163 HydrophobicContact CG-CE1 4.42Å; L78-L167 HydrophobicContact CD2-CD2 3.88Å; L78-L261 HydrophobicContact CB-CD2 4.39Å; L78-L261 HydrophobicContact CD2-CD2 4.23Å; L78-L261 HydrophobicContact CG-CD2 4.5Å
79Y70.6Confident82.9Confident77 Ų7735.3 Ų35.330%0.30219%0.188SC..  trans-72.390.2-178.7-176.4-89.2000110.4T264 A265Y79-T264 HydrophobicContact CD1-CG2 3.52Å; Y79-T264 HydrophobicContact CG-CG2 3.88Å; Y79-A265 HydrophobicContact CD2-CB 4.08Å; Y79-A265 HydrophobicContact CE1-CB 4.14Å; Y79-A265 HydrophobicContact CE2-CB 3.42Å; Y79-A265 VanDerWaalsContact CE2-CB 3.42Å; Y79-A265 VanDerWaalsContact CZ-CB 3.45Å
80N67Low82.7Confident59 Ų5934.3 Ų34.332%0.31618%0.182SC..  trans-117.4147.9158.8-165.5-16.2000108L78 T82 F83 S84 Y160L78-N80 VanDerWaalsContact C-N 3.3Å; L78-N80 PolarHBondContact O-N 3.18Å; N80-T82 PolarHBondContact ND2-OG1 3.26Å; N80-T82 PolarHBondContact O-N 3.02Å; N80-T82 VanDerWaalsContact O-N 3.13Å; N80-F83 HydrophobicContact CB-CB 4.48Å; N80-F83 WeakPolarHBondContact O-CA 3.49Å; N80-F83 VanDerWaalsContact O-CB 3.31Å; N80-F83 WeakPolarHBondContact O-CB 3.4Å; N80-F83 PolarHBondContact O-N 3.38Å; N80-S84 PolarHBondContact O-N 3.33Å; N80-Y160 HydrophobicContact CB-CE1 4.13Å; N80-Y160 HydrophobicContact CB-CE2 4.32Å; N80-Y160 WeakPolarHBondContact CB-OH 3.23Å; N80-Y160 PolarHBondContact ND2-OH 2.69Å
81R63.4Low82.7Confident117 Ų11736.9 Ų36.944%0.44220%0.196SC..THydrogen-bonded Turntrans-57-31.8176.3-168.1176.1-174.5145.512.5112.1Y476R81-Y476 VanDerWaalsContact NH1-CD2 3.33Å
82T66.5Low82.6Confident35 Ų3538 Ų3822%0.21520%0.201CC..THydrogen-bonded Turntrans-66.8-36.2172.850.20000112.6N80 S84 E85 Y86 Y160N80-T82 PolarHBondContact ND2-OG1 3.26Å; N80-T82 PolarHBondContact O-N 3.02Å; N80-T82 VanDerWaalsContact O-N 3.13Å; T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 3.09Å; T82-E85 WeakPolarHBondContact O-CB 3.45Å; T82-E85 PolarHBondContact O-N 3.43Å; T82-E85 VanDerWaalsContact O-N 3.12Å; T82-Y86 WeakPolarHBondContact O-CD2 3.42Å; T82-Y86 WeakPolarHBondContact O-CE2 3.38Å; T82-Y160 WeakPolarHBondContact OG1-CE2 3.39Å
83F75.1Confident82.5Confident8 Ų837.8 Ų37.84%0.03520%0.2CC..G310 helixtrans-62.4-39.5177172.5-98.2000111.7L78 N80 E85 Y86 L87 V90 Y160L78-F83 HydrophobicContact CD1-CD1 4.37Å; L78-F83 HydrophobicContact CD1-CD2 3.5Å; L78-F83 HydrophobicContact CD1-CE1 4.21Å; L78-F83 HydrophobicContact CD1-CE2 3.31Å; L78-F83 HydrophobicContact CD1-CG 4.06Å; L78-F83 HydrophobicContact CD1-CZ 3.7Å; L78-F83 HydrophobicContact CD2-CD1 4.48Å; L78-F83 HydrophobicContact CD2-CE1 3.78Å; L78-F83 HydrophobicContact CD2-CE2 4.09Å; L78-F83 HydrophobicContact CD2-CZ 3.56Å; L78-F83 HydrophobicContact CG-CD1 3.9Å; L78-F83 HydrophobicContact CG-CD2 3.96Å; L78-F83 HydrophobicContact CG-CE1 3.68Å; L78-F83 HydrophobicContact CG-CE2 3.76Å; L78-F83 HydrophobicContact CG-CG 4.05Å; L78-F83 HydrophobicContact CG-CZ 3.62Å; L78-F83 WeakPolarHBondContact O-CB 3.08Å; L78-F83 VanDerWaalsContact O-CG 3.32Å; L78-F83 WeakPolarHBondContact O-CG 3.37Å; N80-F83 HydrophobicContact CB-CB 4.48Å; N80-F83 WeakPolarHBondContact O-CA 3.49Å; N80-F83 VanDerWaalsContact O-CB 3.31Å; N80-F83 WeakPolarHBondContact O-CB 3.4Å; N80-F83 PolarHBondContact O-N 3.38Å; F83-E85 PolarHBondContact O-N 3.09Å; F83-E85 VanDerWaalsContact O-N 3.13Å; F83-Y86 CarbonylContact O-C 3.35Å; F83-Y86 WeakPolarHBondContact O-CA 3.48Å; F83-Y86 PolarHBondContact O-N 3.09Å; F83-L87 HydrophobicContact CE1-CD1 4.21Å; F83-L87 HydrophobicContact CE1-CG 4.47Å; F83-L87 PolarHBondContact O-N 3.43Å; F83-V90 HydrophobicContact CE2-CB 4.25Å; F83-V90 HydrophobicContact CE2-CG1 4.02Å; F83-V90 HydrophobicContact CE2-CG2 3.75Å; F83-V90 HydrophobicContact CZ-CB 4.48Å; F83-V90 HydrophobicContact CZ-CG1 4.1Å; F83-V90 HydrophobicContact CZ-CG2 4.44Å; F83-Y160 HydrophobicContact CB-CD1 4.03Å; F83-Y160 HydrophobicContact CB-CE1 4.42Å; F83-Y160 HydrophobicContact CB-CG 4.24Å; F83-Y160 HydrophobicContact CD2-CD1 4.11Å; F83-Y160 HydrophobicContact CD2-CG 4.32Å; F83-Y160 HydrophobicContact CG-CD1 4.49Å
84S71.4Confident82.5Confident79 Ų7936.2 Ų36.255%0.55219%0.193SC*.G310 helixtrans-60.5-23.8176.5-177.90000113.4N80 T82N80-S84 PolarHBondContact O-N 3.33Å; T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 3.09Å
85E74.3Confident82.6Confident77 Ų7737 Ų3736%0.3620%0.197SC..G310 helixtrans-75.8-15.3175-59.9-179.7176.400112.3T82 F83 D342T82-E85 WeakPolarHBondContact O-CB 3.45Å; T82-E85 PolarHBondContact O-N 3.43Å; T82-E85 VanDerWaalsContact O-N 3.12Å; F83-E85 PolarHBondContact O-N 3.09Å; F83-E85 VanDerWaalsContact O-N 3.13Å; E85-D342 WeakPolarHBondContact O-CB 3.26Å
86Y81.1Confident82.7Confident24 Ų2440.7 Ų40.79%0.09422%0.216CC..THydrogen-bonded Turntrans-117.11-176-54.6-45000113.6T82 F83 G88 T89 V90 N157 D342 I344T82-Y86 WeakPolarHBondContact O-CD2 3.42Å; T82-Y86 WeakPolarHBondContact O-CE2 3.38Å; F83-Y86 CarbonylContact O-C 3.35Å; F83-Y86 WeakPolarHBondContact O-CA 3.48Å; F83-Y86 PolarHBondContact O-N 3.09Å; Y86-G88 PolarHBondContact O-N 2.88Å; Y86-T89 PolarHBondContact O-N 2.85Å; Y86-T89 VanDerWaalsContact O-N 3.16Å; Y86-V90 VanDerWaalsContact O-CG2 3.29Å; Y86-V90 WeakPolarHBondContact O-CG2 3.48Å; Y86-V90 PolarHBondContact O-N 3.49Å; Y86-N157 HydrophobicContact CE2-CB 4.36Å; Y86-N157 PolarHBondContact OH-OD1 3.34Å; Y86-D342 HydrophobicContact CD1-CB 4.28Å; Y86-I344 HydrophobicContact CD1-CD1 3.15Å; Y86-I344 HydrophobicContact CD1-CG1 3.9Å; Y86-I344 HydrophobicContact CE1-CD1 3.45Å; Y86-I344 VanDerWaalsContact CE1-CD1 3.45Å; Y86-I344 HydrophobicContact CE1-CG1 3.71Å; Y86-I344 HydrophobicContact CG-CD1 4.09Å
87L84.7Confident82.8Confident78 Ų7840.9 Ų40.941%0.40822%0.218SC..Hα-helixtrans-57.5-37.4-176.2-173.8152.7000112F83 V90 L91F83-L87 HydrophobicContact CE1-CD1 4.21Å; F83-L87 HydrophobicContact CE1-CG 4.47Å; F83-L87 PolarHBondContact O-N 3.43Å; L87-V90 PolarHBondContact O-N 2.91Å; L87-L91 HydrophobicContact CD2-CD1 4.47Å; L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.38Å; L87-L91 PolarHBondContact O-N 3.26Å
88G85.8Confident83.3Confident30 Ų3039.2 Ų39.231%0.30921%0.206SC..Hα-helixtrans-62.5-48.7177.900000112Y86 L91 I92Y86-G88 PolarHBondContact O-N 2.88Å; G88-L91 PolarHBondContact O-N 2.76Å; G88-I92 WeakPolarHBondContact O-CG1 3.48Å; G88-I92 PolarHBondContact O-N 2.83Å
89T89.5Confident84Confident0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-60.8-48.7175.2-57.80000111.5Y86 L91 I92 F93 I161 V336 D342Y86-T89 PolarHBondContact O-N 2.85Å; Y86-T89 VanDerWaalsContact O-N 3.16Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 3.23Å; T89-I92 PolarHBondContact O-N 2.92Å; T89-F93 HydrophobicContact CG2-CD2 4.04Å; T89-F93 HydrophobicContact CG2-CE2 3.99Å; T89-F93 WeakPolarHBondContact O-CD2 3.48Å; T89-F93 PolarHBondContact O-N 3.38Å; T89-I161 HydrophobicContact CG2-CD1 4.34Å; T89-I161 HydrophobicContact CG2-CG1 4.5Å; T89-V336 HydrophobicContact CG2-CG1 3.93Å; T89-V336 HydrophobicContact CG2-CG2 4.14Å; T89-D342 PolarHBondContact N-OD2 3.28Å; T89-D342 VanDerWaalsContact N-OD2 3.08Å; T89-D342 PolarHBondContact OG1-OD2 3.43Å
90V90.6Very high85.2Confident1 Ų141.9 Ų41.91%0.00622%0.221CC..Hα-helixtrans-56.8-45.3179.1168.30000111.6F83 Y86 L87 I92 F93 A94 I161 G164 L168F83-V90 HydrophobicContact CE2-CB 4.25Å; F83-V90 HydrophobicContact CE2-CG1 4.02Å; F83-V90 HydrophobicContact CE2-CG2 3.75Å; F83-V90 HydrophobicContact CZ-CB 4.48Å; F83-V90 HydrophobicContact CZ-CG1 4.1Å; F83-V90 HydrophobicContact CZ-CG2 4.44Å; Y86-V90 VanDerWaalsContact O-CG2 3.29Å; Y86-V90 WeakPolarHBondContact O-CG2 3.48Å; Y86-V90 PolarHBondContact O-N 3.49Å; L87-V90 PolarHBondContact O-N 2.91Å; V90-I92 VanDerWaalsContact C-N 3.32Å; V90-I92 PolarHBondContact O-N 3.44Å; V90-F93 PolarHBondContact O-N 3.45Å; V90-A94 VanDerWaalsContact O-CB 3.24Å; V90-A94 WeakPolarHBondContact O-CB 3.48Å; V90-A94 PolarHBondContact O-N 3.25Å; V90-I161 HydrophobicContact CG2-CG1 4.45Å; V90-G164 VanDerWaalsContact CG1-C 3.5Å; V90-L168 HydrophobicContact CG1-CD1 3.85Å
91L91.4Very high86.5Confident85 Ų8539.2 Ų39.245%0.44521%0.207SC..Hα-helixtrans-66.5-33.9-178.3-169.7145.6000112.2L87 G88 T89 V95L87-L91 HydrophobicContact CD2-CD1 4.47Å; L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.38Å; L87-L91 PolarHBondContact O-N 3.26Å; G88-L91 PolarHBondContact O-N 2.76Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 3.23Å; L91-V95 HydrophobicContact CD2-CB 4.45Å; L91-V95 HydrophobicContact CD2-CG2 4.01Å; L91-V95 HydrophobicContact CG-CG2 3.88Å; L91-V95 VanDerWaalsContact O-CB 3.27Å; L91-V95 WeakPolarHBondContact O-CB 3.43Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 3.21Å
92I92.5Very high88.1Confident31 Ų3134.4 Ų34.416%0.15919%0.189CC..Iπ-helixtrans-65.4-47.3175-70.9166.8000110.8G88 T89 V90 L96 G97 M332 V336 I341G88-I92 WeakPolarHBondContact O-CG1 3.48Å; G88-I92 PolarHBondContact O-N 2.83Å; T89-I92 PolarHBondContact O-N 2.92Å; V90-I92 VanDerWaalsContact C-N 3.32Å; V90-I92 PolarHBondContact O-N 3.44Å; I92-L96 HydrophobicContact CG2-CB 4.5Å; I92-L96 WeakPolarHBondContact O-CA 3.23Å; I92-L96 WeakPolarHBondContact O-CB 3.38Å; I92-L96 PolarHBondContact O-N 3.43Å; I92-G97 PolarHBondContact O-N 3.09Å; I92-M332 HydrophobicContact CG2-SD 3.65Å; I92-V336 HydrophobicContact CG2-CG2 4.43Å; I92-I341 HydrophobicContact CD1-CD1 3.19Å
93F92Very high89.5Confident2 Ų235.6 Ų35.61%0.00919%0.194CC..Iπ-helixtrans-63.9-46.6176.4-83.5-85.7000111.5T89 V90 G97 E165 V329 M332 V336 I346T89-F93 HydrophobicContact CG2-CD2 4.04Å; T89-F93 HydrophobicContact CG2-CE2 3.99Å; T89-F93 WeakPolarHBondContact O-CD2 3.48Å; T89-F93 PolarHBondContact O-N 3.38Å; V90-F93 PolarHBondContact O-N 3.45Å; F93-G97 WeakPolarHBondContact O-CA 3.27Å; F93-G97 PolarHBondContact O-N 2.88Å; F93-E165 HydrophobicContact CB-CB 4.46Å; F93-E165 HydrophobicContact CB-CG 4.03Å; F93-V329 HydrophobicContact CE1-CG1 4.3Å; F93-M332 HydrophobicContact CD1-CB 3.96Å; F93-M332 HydrophobicContact CE1-CB 3.6Å; F93-M332 HydrophobicContact CE2-CB 4.4Å; F93-M332 HydrophobicContact CG-CB 4.49Å; F93-M332 HydrophobicContact CZ-CB 3.85Å; F93-V336 HydrophobicContact CE2-CG2 4.04Å; F93-I346 HydrophobicContact CE2-CD1 3.91Å; F93-I346 HydrophobicContact CZ-CD1 4.04Å
94A93.3Very high90.6Very high0 Ų038.3 Ų38.30%021%0.209CC..Iπ-helixtrans-70.9-38.6-176.400000114.2V90 T98 L168 I172V90-A94 VanDerWaalsContact O-CB 3.24Å; V90-A94 WeakPolarHBondContact O-CB 3.48Å; V90-A94 PolarHBondContact O-N 3.25Å; A94-T98 VanDerWaalsContact O-CB 3.31Å; A94-T98 WeakPolarHBondContact O-CB 3.4Å; A94-T98 WeakPolarHBondContact O-CG2 3.11Å; A94-T98 PolarHBondContact O-OG1 3.38Å; A94-L168 HydrophobicContact CB-CB 3.42Å; A94-L168 VanDerWaalsContact CB-CB 3.42Å; A94-L168 HydrophobicContact CB-CD1 4.01Å; A94-L168 HydrophobicContact CB-CG 4.38Å; A94-I172 HydrophobicContact CB-CD1 4.34Å; A94-I172 WeakPolarHBondContact O-CD1 3.27Å
95V94.4Very high91.8Very high31 Ų3134.6 Ų34.619%0.18818%0.182CC..Iπ-helixtrans-95.2-58.3-176.9-1770000111.2L91 T98 I99 I172 F201L91-V95 HydrophobicContact CD2-CB 4.45Å; L91-V95 HydrophobicContact CD2-CG2 4.01Å; L91-V95 HydrophobicContact CG-CG2 3.88Å; L91-V95 VanDerWaalsContact O-CB 3.27Å; L91-V95 WeakPolarHBondContact O-CB 3.43Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 3.21Å; V95-T98 PolarHBondContact O-OG1 3.38Å; V95-I99 HydrophobicContact CG1-CD1 3.85Å; V95-I99 WeakPolarHBondContact O-CB 3.35Å; V95-I99 WeakPolarHBondContact O-CD1 2.99Å; V95-I99 WeakPolarHBondContact O-CG1 3.25Å; V95-I99 PolarHBondContact O-N 3.17Å; V95-I99 VanDerWaalsContact O-N 3.12Å; V95-I172 HydrophobicContact CB-CD1 4.09Å; V95-I172 HydrophobicContact CG2-CD1 3.49Å; V95-I172 VanDerWaalsContact CG2-CD1 3.49Å; V95-F201 HydrophobicContact CG1-CZ 4.47Å
96L94.4Very high92.8Very high78 Ų7830.9 Ų30.941%0.40817%0.165SC..Iπ-helixtrans-70.4-44.9-176.3-119.467000110.5I92 T98 I99 F100 M332I92-L96 HydrophobicContact CG2-CB 4.5Å; I92-L96 WeakPolarHBondContact O-CA 3.23Å; I92-L96 WeakPolarHBondContact O-CB 3.38Å; I92-L96 PolarHBondContact O-N 3.43Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 2.75Å; L96-I99 PolarHBondContact O-N 2.68Å; L96-F100 HydrophobicContact CD2-CE2 4.21Å; L96-F100 HydrophobicContact CG-CD2 4.36Å; L96-F100 HydrophobicContact CG-CE2 3.9Å; L96-F100 WeakPolarHBondContact O-CD2 3.41Å; L96-F100 PolarHBondContact O-N 2.85Å; L96-M332 HydrophobicContact CB-CE 3.88Å; L96-M332 HydrophobicContact CB-SD 4.1Å; L96-M332 HydrophobicContact CD2-CE 4.46Å; L96-M332 HydrophobicContact CG-CE 4.47Å
97G94.7Very high93.5Very high5 Ų534.9 Ų34.95%0.05218%0.183CC..Iπ-helixtrans-57.2-41.5178.600000112.7I92 F93 N101I92-G97 PolarHBondContact O-N 3.09Å; F93-G97 WeakPolarHBondContact O-CA 3.27Å; F93-G97 PolarHBondContact O-N 2.88Å; G97-N101 VanDerWaalsContact O-CB 3.29Å; G97-N101 WeakPolarHBondContact O-CB 3.35Å; G97-N101 PolarHBondContact O-N 2.76Å
98T94.9Very high94.1Very high4 Ų434.1 Ų34.13%0.02518%0.179CC..Hα-helixtrans-75.5-42.9-177.260.20000112.1A94 V95 L96 F100 N101 F102 V138 N169 I172A94-T98 VanDerWaalsContact O-CB 3.31Å; A94-T98 WeakPolarHBondContact O-CB 3.4Å; A94-T98 WeakPolarHBondContact O-CG2 3.11Å; A94-T98 PolarHBondContact O-OG1 3.38Å; V95-T98 PolarHBondContact O-OG1 3.38Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 2.75Å; T98-F100 VanDerWaalsContact C-N 3.34Å; T98-F100 PolarHBondContact O-N 2.7Å; T98-N101 WeakPolarHBondContact O-CB 3.32Å; T98-N101 PolarHBondContact O-N 3.42Å; T98-N101 VanDerWaalsContact O-N 3.13Å; T98-F102 WeakPolarHBondContact O-CB 3.36Å; T98-F102 PolarHBondContact O-N 3.34Å; T98-V138 HydrophobicContact CG2-CG1 4.23Å; T98-N169 HydrophobicContact CG2-CB 3.67Å; T98-N169 WeakPolarHBondContact CG2-OD1 3.5Å; T98-I172 WeakPolarHBondContact OG1-CG2 3.29Å
99I95.8Very high94.5Very high41 Ų4132.7 Ų32.721%0.2116%0.164CC..Hα-helixtrans-58.4-46.8174.3-68.7168000110.4V95 L96 N101 F102 L103 F201V95-I99 HydrophobicContact CG1-CD1 3.85Å; V95-I99 WeakPolarHBondContact O-CB 3.35Å; V95-I99 WeakPolarHBondContact O-CD1 2.99Å; V95-I99 WeakPolarHBondContact O-CG1 3.25Å; V95-I99 PolarHBondContact O-N 3.17Å; V95-I99 VanDerWaalsContact O-N 3.12Å; L96-I99 PolarHBondContact O-N 2.68Å; I99-N101 VanDerWaalsContact C-N 3.32Å; I99-N101 PolarHBondContact O-N 3.34Å; I99-F102 WeakPolarHBondContact O-CB 3.43Å; I99-F102 PolarHBondContact O-N 3.12Å; I99-L103 HydrophobicContact CG2-CD1 4.07Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 3.38Å; I99-F201 HydrophobicContact CD1-CE1 4Å; I99-F201 HydrophobicContact CD1-CZ 3.84Å; I99-F201 HydrophobicContact CG1-CZ 4.36Å
100F96.1Very high94.7Very high95 Ų9536.2 Ų36.242%0.41718%0.178SC..Hα-helixtrans-66.1-35.3177.2-76.1-61.5000112.4L96 T98 L103 L104 I328 M332L96-F100 HydrophobicContact CD2-CE2 4.21Å; L96-F100 HydrophobicContact CG-CD2 4.36Å; L96-F100 HydrophobicContact CG-CE2 3.9Å; L96-F100 WeakPolarHBondContact O-CD2 3.41Å; L96-F100 PolarHBondContact O-N 2.85Å; T98-F100 VanDerWaalsContact C-N 3.34Å; T98-F100 PolarHBondContact O-N 2.7Å; F100-L103 PolarHBondContact O-N 3.11Å; F100-L104 VanDerWaalsContact O-CB 3.31Å; F100-L104 WeakPolarHBondContact O-CB 3.29Å; F100-L104 WeakPolarHBondContact O-CG 3.32Å; F100-L104 PolarHBondContact O-N 3.31Å; F100-I328 VanDerWaalsContact C-CD1 3.44Å; F100-I328 HydrophobicContact CB-CD1 3.86Å; F100-I328 HydrophobicContact CB-CG1 4.36Å; F100-M332 HydrophobicContact CD2-CE 3.39Å; F100-M332 HydrophobicContact CE2-CE 3.84Å; F100-M332 HydrophobicContact CG-CE 4.45Å
101N95.5Very high94.8Very high3 Ų337.9 Ų37.92%0.01620%0.196CC..Hα-helixtrans-65.9-43.8178.4-157.126.4000110.4G97 T98 I99 I105 V138 T324 I328 R360G97-N101 VanDerWaalsContact O-CB 3.29Å; G97-N101 WeakPolarHBondContact O-CB 3.35Å; G97-N101 PolarHBondContact O-N 2.76Å; T98-N101 WeakPolarHBondContact O-CB 3.32Å; T98-N101 PolarHBondContact O-N 3.42Å; T98-N101 VanDerWaalsContact O-N 3.13Å; I99-N101 VanDerWaalsContact C-N 3.32Å; I99-N101 PolarHBondContact O-N 3.34Å; N101-I105 WeakPolarHBondContact O-CB 3.17Å; N101-I105 VanDerWaalsContact O-CG1 3.27Å; N101-I105 WeakPolarHBondContact O-CG1 3.34Å; N101-I105 PolarHBondContact O-N 3.25Å; N101-I105 VanDerWaalsContact OD1-CD1 3.31Å; N101-I105 WeakPolarHBondContact OD1-CD1 3.43Å; N101-V138 HydrophobicContact CB-CG1 4.08Å; N101-V138 HydrophobicContact CB-CG2 3.93Å; N101-T324 WeakPolarHBondContact OD1-CB 3.22Å; N101-T324 WeakPolarHBondContact OD1-CG2 3.34Å; N101-I328 HydrophobicContact CB-CD1 3.51Å; N101-R360 PolarHBondContact ND2-NH2 3.27Å
102F96.4Very high94.9Very high16 Ų1635 Ų357%0.0718%0.18CC..Hα-helixtrans-58-50.1174156.3-109.1000112T98 I99 G106 L131 S134 V138 L176 M180T98-F102 WeakPolarHBondContact O-CB 3.36Å; T98-F102 PolarHBondContact O-N 3.34Å; I99-F102 WeakPolarHBondContact O-CB 3.43Å; I99-F102 PolarHBondContact O-N 3.12Å; F102-G106 PolarHBondContact O-N 2.87Å; F102-G106 VanDerWaalsContact O-N 3.17Å; F102-L131 HydrophobicContact CE1-CD2 4.47Å; F102-L131 HydrophobicContact CE2-CB 4.01Å; F102-L131 HydrophobicContact CE2-CD2 3.88Å; F102-L131 VanDerWaalsContact CE2-O 3.24Å; F102-L131 WeakPolarHBondContact CE2-O 3.45Å; F102-L131 HydrophobicContact CZ-CB 4.25Å; F102-L131 HydrophobicContact CZ-CD2 3.79Å; F102-S134 VanDerWaalsContact C-OG 3.31Å; F102-S134 VanDerWaalsContact CA-OG 3.31Å; F102-S134 WeakPolarHBondContact CA-OG 3.39Å; F102-S134 WeakPolarHBondContact O-CB 3.48Å; F102-S134 PolarHBondContact O-OG 3.23Å; F102-V138 HydrophobicContact CB-CG2 4.05Å; F102-L176 HydrophobicContact CB-CD1 4.01Å; F102-L176 HydrophobicContact CD1-CD1 4.24Å; F102-L176 HydrophobicContact CD1-CD2 4.19Å; F102-L176 HydrophobicContact CE1-CD2 4.3Å; F102-L176 HydrophobicContact CG-CD1 4.08Å; F102-M180 HydrophobicContact CE2-CG 3.81Å; F102-M180 HydrophobicContact CE2-SD 4.2Å; F102-M180 HydrophobicContact CZ-CG 3.86Å; F102-M180 HydrophobicContact CZ-SD 3.7Å
103L96.5Very high94.8Very high60 Ų6036.7 Ų36.731%0.31419%0.185SC..Hα-helixtrans-66.1-47.4-179.3-66.8173.4000111.4I99 F100 G106 F107I99-L103 HydrophobicContact CG2-CD1 4.07Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 3.38Å; F100-L103 PolarHBondContact O-N 3.11Å; L103-G106 PolarHBondContact O-N 3.22Å; L103-F107 HydrophobicContact CB-CD2 4.36Å; L103-F107 HydrophobicContact CB-CE2 4.45Å; L103-F107 HydrophobicContact CD2-CE2 4.08Å; L103-F107 WeakPolarHBondContact O-CB 3.34Å; L103-F107 WeakPolarHBondContact O-CD2 3.04Å; L103-F107 PolarHBondContact O-N 2.88Å
104L96.9Very high94.7Very high65 Ų6542 Ų4234%0.3421%0.212SC..Hα-helixtrans-65.5-48.4-176.8-75.5176.8000112.3F100 G106 I108 T324 I328F100-L104 VanDerWaalsContact O-CB 3.31Å; F100-L104 WeakPolarHBondContact O-CB 3.29Å; F100-L104 WeakPolarHBondContact O-CG 3.32Å; F100-L104 PolarHBondContact O-N 3.31Å; L104-G106 VanDerWaalsContact C-N 3.32Å; L104-G106 PolarHBondContact O-N 3.01Å; L104-I108 HydrophobicContact CB-CD1 4.31Å; L104-I108 VanDerWaalsContact O-CB 3.24Å; L104-I108 WeakPolarHBondContact O-CB 3.05Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.13Å; L104-I108 PolarHBondContact O-N 3.31Å; L104-T324 HydrophobicContact CB-CG2 3.46Å; L104-T324 VanDerWaalsContact CB-CG2 3.46Å; L104-T324 HydrophobicContact CD1-CG2 3.79Å; L104-T324 HydrophobicContact CG-CG2 4.27Å; L104-I328 HydrophobicContact CD1-CD1 4.14Å; L104-I328 HydrophobicContact CD1-CG1 4.12Å
105I96.7Very high94.5Very high0 Ų045.9 Ų45.90%024%0.24CC..Hα-helixtrans-60.3-45.1178.9-67.4167.9000110.1N101 M109 S134 I137 V138 I320 T324N101-I105 WeakPolarHBondContact O-CB 3.17Å; N101-I105 VanDerWaalsContact O-CG1 3.27Å; N101-I105 WeakPolarHBondContact O-CG1 3.34Å; N101-I105 PolarHBondContact O-N 3.25Å; N101-I105 VanDerWaalsContact OD1-CD1 3.31Å; N101-I105 WeakPolarHBondContact OD1-CD1 3.43Å; I105-M109 HydrophobicContact CG2-CG 4.37Å; I105-M109 VanDerWaalsContact O-CB 3.29Å; I105-M109 WeakPolarHBondContact O-CB 3.36Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.43Å; I105-S134 VanDerWaalsContact CB-OG 3.32Å; I105-S134 WeakPolarHBondContact CB-OG 3.21Å; I105-I137 HydrophobicContact CD1-CG2 4.29Å; I105-I137 HydrophobicContact CG2-CG2 4.22Å; I105-V138 HydrophobicContact CD1-CG2 4.11Å; I105-I320 HydrophobicContact CB-CG2 4.48Å; I105-I320 HydrophobicContact CG1-CG2 4.24Å; I105-T324 HydrophobicContact CG1-CG2 4.1Å
106G95.9Very high94Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-64.1-49.2-178.300000113F102 L103 L104 Y110 S134F102-G106 PolarHBondContact O-N 2.87Å; F102-G106 VanDerWaalsContact O-N 3.17Å; L103-G106 PolarHBondContact O-N 3.22Å; L104-G106 VanDerWaalsContact C-N 3.32Å; L104-G106 PolarHBondContact O-N 3.01Å; G106-Y110 WeakPolarHBondContact O-CB 3.49Å; G106-Y110 PolarHBondContact O-N 3.1Å; G106-Y110 VanDerWaalsContact O-N 3.08Å; G106-S134 PolarHBondContact N-OG 3.03Å
107F96.3Very high93.7Very high108 Ų10845.3 Ų45.347%0.47426%0.255SS..Hα-helixtrans-69.4-38179.7-76.4-60.2000113.1L103 Y110 G111 L127L103-F107 HydrophobicContact CB-CD2 4.36Å; L103-F107 HydrophobicContact CB-CE2 4.45Å; L103-F107 HydrophobicContact CD2-CE2 4.08Å; L103-F107 WeakPolarHBondContact O-CB 3.34Å; L103-F107 WeakPolarHBondContact O-CD2 3.04Å; L103-F107 PolarHBondContact O-N 2.88Å; F107-Y110 PolarHBondContact O-N 3.27Å; F107-G111 PolarHBondContact O-N 3.01Å; F107-L127 HydrophobicContact CD1-CD1 4.12Å; F107-L127 HydrophobicContact CE1-CD1 4.18Å; F107-L127 HydrophobicContact CE1-CD2 4.21Å
108I96.3Very high93.2Very high62 Ų6245.6 Ų45.632%0.31826%0.255SS..Hα-helixtrans-67.3-42.9178.1-66166.4000110.3L104 Y110 G111 L112 I320L104-I108 HydrophobicContact CB-CD1 4.31Å; L104-I108 VanDerWaalsContact O-CB 3.24Å; L104-I108 WeakPolarHBondContact O-CB 3.05Å; L104-I108 WeakPolarHBondContact O-CD1 3.49Å; L104-I108 WeakPolarHBondContact O-CG1 3.13Å; L104-I108 PolarHBondContact O-N 3.31Å; I108-Y110 VanDerWaalsContact C-N 3.32Å; I108-Y110 PolarHBondContact O-N 3.14Å; I108-G111 PolarHBondContact O-N 3.01Å; I108-L112 HydrophobicContact CG2-CD1 4.16Å; I108-L112 HydrophobicContact CG2-CG 4.44Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 2.83Å; I108-I320 HydrophobicContact CB-CG2 4.08Å; I108-I320 HydrophobicContact CD1-CG2 4.31Å; I108-I320 HydrophobicContact CG2-CD1 3.55Å; I108-I320 HydrophobicContact CG2-CG1 3.8Å; I108-I320 HydrophobicContact CG2-CG2 3.94Å
109M94.2Very high92.5Very high0 Ų047.4 Ų47.40%027%0.274CS..Hα-helixtrans-61.4-41176-76.7-65.4-64.900112.1I105 L112 Y113 L118 F130 Y313 W316 S317I105-M109 HydrophobicContact CG2-CG 4.37Å; I105-M109 VanDerWaalsContact O-CB 3.29Å; I105-M109 WeakPolarHBondContact O-CB 3.36Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.43Å; M109-L112 PolarHBondContact O-N 3.37Å; M109-L112 HydrophobicContact SD-CD1 4.42Å; M109-Y113 PolarHBondContact O-N 3.47Å; M109-L118 HydrophobicContact CE-CD2 4.23Å; M109-F130 HydrophobicContact CB-CD1 3.72Å; M109-F130 HydrophobicContact CB-CE1 4.25Å; M109-F130 HydrophobicContact CE-CE1 4.4Å; M109-Y313 HydrophobicContact CE-CD2 3.76Å; M109-Y313 HydrophobicContact CE-CE1 4.48Å; M109-Y313 HydrophobicContact CE-CE2 3.74Å; M109-Y313 HydrophobicContact CE-CG 4.18Å; M109-W316 HydrophobicContact SD-CB 4.3Å; M109-S317 WeakPolarHBondContact CE-OG 3.29Å
110Y93.4Very high91.5Very high74 Ų7455 Ų5529%0.2930%0.302SS..Hα-helixtrans-65.8-37.9173.8-178.1-110.7000112.8G106 F107 I108 Y113 I114 L127 F130G106-Y110 WeakPolarHBondContact O-CB 3.49Å; G106-Y110 PolarHBondContact O-N 3.1Å; G106-Y110 VanDerWaalsContact O-N 3.08Å; F107-Y110 PolarHBondContact O-N 3.27Å; I108-Y110 VanDerWaalsContact C-N 3.32Å; I108-Y110 PolarHBondContact O-N 3.14Å; Y110-Y113 HydrophobicContact CD2-CD1 4.1Å; Y110-Y113 HydrophobicContact CE2-CD1 4.1Å; Y110-Y113 HydrophobicContact CE2-CE1 4.5Å; Y110-Y113 WeakPolarHBondContact O-CB 3.31Å; Y110-Y113 PolarHBondContact O-N 3.42Å; Y110-I114 HydrophobicContact CD1-CD1 3.71Å; Y110-I114 HydrophobicContact CE1-CD1 3.2Å; Y110-I114 HydrophobicContact CE1-CG1 4.2Å; Y110-I114 HydrophobicContact CE2-CD1 4.21Å; Y110-I114 HydrophobicContact CE2-CG1 4.39Å; Y110-I114 HydrophobicContact CG-CD1 4.42Å; Y110-I114 VanDerWaalsContact CZ-CD1 3.48Å; Y110-I114 PolarHBondContact O-N 3.28Å; Y110-L127 HydrophobicContact CD1-CD1 3.69Å; Y110-L127 HydrophobicContact CD2-CB 4.07Å; Y110-L127 HydrophobicContact CD2-CD1 4.04Å; Y110-L127 HydrophobicContact CE1-CB 4.49Å; Y110-L127 HydrophobicContact CE1-CD1 4.28Å; Y110-L127 HydrophobicContact CE2-CB 3.97Å; Y110-L127 HydrophobicContact CG-CB 4.39Å; Y110-L127 HydrophobicContact CG-CD1 3.53Å; Y110-F130 AromaticContact CD2-CD2 3.78Å; Y110-F130 HydrophobicContact CD2-CD2 3.78Å; Y110-F130 AromaticContact CD2-CE2 3.98Å; Y110-F130 HydrophobicContact CD2-CE2 3.98Å; Y110-F130 HydrophobicContact CG-CD2 4.49Å
111G93.7Very high90.6Very high36 Ų3652.5 Ų52.537%0.37130%0.295SS..Hα-helixtrans-64.1-38.8172.900000113F107 I108 Y113 I114 S115F107-G111 PolarHBondContact O-N 3.01Å; I108-G111 PolarHBondContact O-N 3.01Å; G111-Y113 VanDerWaalsContact C-N 3.29Å; G111-Y113 PolarHBondContact O-N 2.79Å; G111-I114 PolarHBondContact O-N 3.47Å; G111-S115 WeakPolarHBondContact O-CB 2.87Å; G111-S115 PolarHBondContact O-N 2.83Å; G111-S115 PolarHBondContact O-OG 3.23Å
112L92.4Very high89.4Confident24 Ų2459.6 Ų59.613%0.12633%0.328CS..Hα-helixtrans-66.3-32.4173.2-71.6171.2000112.2I108 M109 S115 G116 A117 W316 I320I108-L112 HydrophobicContact CG2-CD1 4.16Å; I108-L112 HydrophobicContact CG2-CG 4.44Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 2.83Å; M109-L112 PolarHBondContact O-N 3.37Å; M109-L112 HydrophobicContact SD-CD1 4.42Å; L112-S115 VanDerWaalsContact CA-OG 3.31Å; L112-S115 WeakPolarHBondContact CA-OG 3.38Å; L112-S115 PolarHBondContact O-OG 2.93Å; L112-S115 VanDerWaalsContact O-OG 3.07Å; L112-G116 PolarHBondContact O-N 3.43Å; L112-A117 HydrophobicContact CD2-CB 3.95Å; L112-A117 PolarHBondContact O-N 2.98Å; L112-W316 HydrophobicContact CD1-CB 4.01Å; L112-W316 HydrophobicContact CD1-CD2 3.81Å; L112-W316 HydrophobicContact CD1-CE3 3.65Å; L112-W316 HydrophobicContact CD1-CG 3.98Å; L112-W316 HydrophobicContact CD1-CZ3 4.36Å; L112-W316 HydrophobicContact CD2-CD2 4.28Å; L112-W316 HydrophobicContact CD2-CE3 4.23Å; L112-W316 HydrophobicContact CD2-CH2 4.37Å; L112-W316 HydrophobicContact CD2-CZ2 4.4Å; L112-W316 HydrophobicContact CD2-CZ3 4.28Å; L112-I320 HydrophobicContact CD1-CD1 4.27Å; L112-I320 HydrophobicContact CD1-CG1 3.9Å
113Y90.2Very high88.4Confident66 Ų6659.6 Ų59.626%0.25933%0.329SS..Hα-helixtrans-65.2-52.4171.8171.3-113.9000112.5M109 Y110 G111 S115 G116 L118 I123 F130M109-Y113 PolarHBondContact O-N 3.47Å; Y110-Y113 HydrophobicContact CD2-CD1 4.1Å; Y110-Y113 HydrophobicContact CE2-CD1 4.1Å; Y110-Y113 HydrophobicContact CE2-CE1 4.5Å; Y110-Y113 WeakPolarHBondContact O-CB 3.31Å; Y110-Y113 PolarHBondContact O-N 3.42Å; G111-Y113 VanDerWaalsContact C-N 3.29Å; G111-Y113 PolarHBondContact O-N 2.79Å; Y113-S115 VanDerWaalsContact C-N 3.29Å; Y113-S115 PolarHBondContact O-N 3.39Å; Y113-G116 PolarHBondContact O-N 3.26Å; Y113-L118 VanDerWaalsContact CA-CD1 3.44Å; Y113-L118 HydrophobicContact CD2-CD1 3.81Å; Y113-L118 HydrophobicContact CG-CD1 4.14Å; Y113-I123 WeakPolarHBondContact CE2-O 3.27Å; Y113-I123 PolarHBondContact OH-O 3Å; Y113-F130 AromaticContact CD1-CE2 3.93Å; Y113-F130 HydrophobicContact CD1-CE2 3.93Å; Y113-F130 HydrophobicContact CD1-CZ 4.26Å; Y113-F130 HydrophobicContact CD2-CZ 4.18Å; Y113-F130 AromaticContact CG-CE2 3.91Å; Y113-F130 HydrophobicContact CG-CE2 3.91Å; Y113-F130 AromaticContact CG-CZ 3.76Å; Y113-F130 HydrophobicContact CG-CZ 3.76Å
114I89.7Confident87.5Confident113 Ų11360.6 Ų60.658%0.57934%0.338SS*.Hα-helixtrans-61.8-38.2179.5-67.6166000111.7Y110 G111 G116Y110-I114 HydrophobicContact CD1-CD1 3.71Å; Y110-I114 HydrophobicContact CE1-CD1 3.2Å; Y110-I114 HydrophobicContact CE1-CG1 4.2Å; Y110-I114 HydrophobicContact CE2-CD1 4.21Å; Y110-I114 HydrophobicContact CE2-CG1 4.39Å; Y110-I114 HydrophobicContact CG-CD1 4.42Å; Y110-I114 VanDerWaalsContact CZ-CD1 3.48Å; Y110-I114 PolarHBondContact O-N 3.28Å; G111-I114 PolarHBondContact O-N 3.47Å; I114-G116 PolarHBondContact O-N 2.96Å
115S89.1Confident86.7Confident83 Ų8358.4 Ų58.458%0.5833%0.327SS*.THydrogen-bonded Turntrans-71.7-6.917857.90000114.1G111 L112 Y113 A117G111-S115 WeakPolarHBondContact O-CB 2.87Å; G111-S115 PolarHBondContact O-N 2.83Å; G111-S115 PolarHBondContact O-OG 3.23Å; L112-S115 VanDerWaalsContact CA-OG 3.31Å; L112-S115 WeakPolarHBondContact CA-OG 3.38Å; L112-S115 PolarHBondContact O-OG 2.93Å; L112-S115 VanDerWaalsContact O-OG 3.07Å; Y113-S115 VanDerWaalsContact C-N 3.29Å; Y113-S115 PolarHBondContact O-N 3.39Å; S115-A117 PolarHBondContact O-N 3.49Å
116G85.6Confident86.1Confident55 Ų5563.2 Ų63.257%0.56735%0.352SS*.THydrogen-bonded Turntrans74.410.8-178.600000114.3L112 Y113 I114 L118 G119L112-G116 PolarHBondContact O-N 3.43Å; Y113-G116 PolarHBondContact O-N 3.26Å; I114-G116 PolarHBondContact O-N 2.96Å; G116-L118 PolarHBondContact O-N 3.43Å; G116-G119 PolarHBondContact O-N 3.3Å
117A86.7Confident85.8Confident42 Ų4265.8 Ų65.835%0.34737%0.366SS..THydrogen-bonded Turntrans-73.6-12.2-176.100000114.1L112 S115 G119 W316L112-A117 HydrophobicContact CD2-CB 3.95Å; L112-A117 PolarHBondContact O-N 2.98Å; S115-A117 PolarHBondContact O-N 3.49Å; A117-G119 VanDerWaalsContact C-N 3.29Å; A117-G119 PolarHBondContact O-N 3.28Å; A117-W316 PolarHBondContact O-NE1 3.33Å
118L84Confident85.4Confident11 Ų1161.2 Ų61.26%0.05835%0.347CS..THydrogen-bonded Turntrans-69.2-25.1176.6-74.9164.9000112.6M109 Y113 G116 F130 H310 G312 Y313M109-L118 HydrophobicContact CE-CD2 4.23Å; Y113-L118 VanDerWaalsContact CA-CD1 3.44Å; Y113-L118 HydrophobicContact CD2-CD1 3.81Å; Y113-L118 HydrophobicContact CG-CD1 4.14Å; G116-L118 PolarHBondContact O-N 3.43Å; L118-F130 HydrophobicContact CD1-CE1 4.49Å; L118-F130 HydrophobicContact CD1-CZ 4.35Å; L118-H310 PolarHBondContact O-CE1 3.26Å; L118-G312 VanDerWaalsContact O-CA 3.28Å; L118-G312 WeakPolarHBondContact O-CA 3.43Å; L118-Y313 VanDerWaalsContact CD2-CA 3.44Å; L118-Y313 HydrophobicContact CD2-CD2 3.96Å; L118-Y313 HydrophobicContact CD2-CG 4.32Å
119G81.1Confident85.1Confident41 Ų4158.4 Ų58.442%0.42333%0.333SS..  trans80.5-161.8-177.700000113.9G116 A117G116-G119 PolarHBondContact O-N 3.3Å; A117-G119 VanDerWaalsContact C-N 3.29Å; A117-G119 PolarHBondContact O-N 3.28Å
120Y75.4Confident85.1Confident201 Ų20158.5 Ų58.579%0.78833%0.334SS*.SBendtrans-97.3148.4-178.6-174.4-88.8000110.7
121P75.9Confident85.1Confident42 Ų4256 Ų5627%0.27333%0.325SS..SBendcis-76.8150.8-0.328.5-34.6000115I123 H310P121-I123 WeakPolarHBondContact O-CG1 3.17Å; P121-I123 PolarHBondContact O-N 3Å; P121-H310 PolarHBondContact O-CD2 3.43Å; P121-H310 PolarHBondContact O-NE2 2.95Å; P121-H310 VanDerWaalsContact O-NE2 3.17Å
122Q71.3Confident85.1Confident153 Ų15354.3 Ų54.372%0.71531%0.307SS*.PPolyproline II helixtrans-64123.8178.1-64.8-64.7-19.800110.4
123I75.9Confident85.2Confident15 Ų1553.2 Ų53.28%0.07730%0.302CS..  trans-104.8128.5179.1-37.8168.8000107.4Y113 P121 V125 Y313 N383 L386Y113-I123 WeakPolarHBondContact CE2-O 3.27Å; Y113-I123 PolarHBondContact OH-O 3Å; P121-I123 WeakPolarHBondContact O-CG1 3.17Å; P121-I123 PolarHBondContact O-N 3Å; I123-V125 HydrophobicContact CB-CG2 4.29Å; I123-V125 HydrophobicContact CG2-CG1 3.83Å; I123-V125 HydrophobicContact CG2-CG2 3.99Å; I123-Y313 HydrophobicContact CD1-CD2 4.15Å; I123-N383 WeakPolarHBondContact CG2-OD1 3.25Å; I123-L386 HydrophobicContact CD1-CD1 3.64Å; I123-L386 HydrophobicContact CG1-CD1 4.31Å
124T77.1Confident85.5Confident82 Ų8250 Ų5050%0.50329%0.289SS..  trans-96.799.3171.153.50000108.5N383T124-N383 PolarHBondContact O-ND2 2.79Å
125V78.9Confident85.8Confident18 Ų1844.7 Ų44.711%0.10926%0.262CS..  trans-136.4140.5-179.6-82.30000110.9I123 F130 N383I123-V125 HydrophobicContact CB-CG2 4.29Å; I123-V125 HydrophobicContact CG2-CG1 3.83Å; I123-V125 HydrophobicContact CG2-CG2 3.99Å; V125-F130 HydrophobicContact CB-CE2 4.14Å; V125-F130 HydrophobicContact CG2-CD2 4.3Å; V125-F130 HydrophobicContact CG2-CE1 4.4Å; V125-F130 HydrophobicContact CG2-CE2 3.37Å; V125-F130 HydrophobicContact CG2-CZ 3.42Å; V125-F130 VanDerWaalsContact CG2-CZ 3.42Å; V125-N383 HydrophobicContact CG1-CB 4.27Å; V125-N383 VanDerWaalsContact CG1-ND2 3.33Å; V125-N383 WeakPolarHBondContact CG1-ND2 3.26Å
126D85.1Confident86.1Confident101 Ų10140.7 Ų40.754%0.5423%0.234SC..  trans-81.8161.5178-60.8-35.1000111.8S128 S129 F130D126-S128 PolarHBondContact O-N 2.97Å; D126-S129 WeakPolarHBondContact O-CB 3.08Å; D126-S129 PolarHBondContact O-N 3.27Å; D126-F130 WeakPolarHBondContact O-CD2 3.28Å; D126-F130 PolarHBondContact O-N 2.98Å
127L88.8Confident86.5Confident55 Ų5538.1 Ų38.129%0.28821%0.207SC..Hα-helixtrans-53.8-38.5173.7172.663.9000112.3F107 Y110 S129 F130 L131F107-L127 HydrophobicContact CD1-CD1 4.12Å; F107-L127 HydrophobicContact CE1-CD1 4.18Å; F107-L127 HydrophobicContact CE1-CD2 4.21Å; Y110-L127 HydrophobicContact CD1-CD1 3.69Å; Y110-L127 HydrophobicContact CD2-CB 4.07Å; Y110-L127 HydrophobicContact CD2-CD1 4.04Å; Y110-L127 HydrophobicContact CE1-CB 4.49Å; Y110-L127 HydrophobicContact CE1-CD1 4.28Å; Y110-L127 HydrophobicContact CE2-CB 3.97Å; Y110-L127 HydrophobicContact CG-CB 4.39Å; Y110-L127 HydrophobicContact CG-CD1 3.53Å; L127-S129 PolarHBondContact O-N 2.96Å; L127-F130 PolarHBondContact O-N 3.5Å; L127-L131 HydrophobicContact CD1-CD1 4.34Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CG-CD1 4.11Å; L127-L131 PolarHBondContact O-N 3.22Å
128S89.3Confident86.9Confident11 Ų1136.1 Ų36.18%0.07719%0.191CC..Hα-helixtrans-58.9-36.2176.850.80000112.1D126 L131 L132D126-S128 PolarHBondContact O-N 2.97Å; S128-L131 PolarHBondContact O-N 2.9Å; S128-L132 WeakPolarHBondContact O-CB 3.39Å; S128-L132 PolarHBondContact O-N 3.27Å
129S90Very high87.3Confident4 Ų435.6 Ų35.63%0.02819%0.188CC..Hα-helixtrans-69.3-38.7177.2-62.60000112.1D126 L127 L132 F133D126-S129 WeakPolarHBondContact O-CB 3.08Å; D126-S129 PolarHBondContact O-N 3.27Å; L127-S129 PolarHBondContact O-N 2.96Å; S129-L132 PolarHBondContact O-N 2.67Å; S129-F133 PolarHBondContact O-N 3.42Å
130F92.8Very high87.7Confident2 Ų233.9 Ų33.91%0.00917%0.169CC..Hα-helixtrans-67.5-38.4173.3-72.5-77.3000112.3M109 Y110 Y113 L118 V125 D126 L127 S134 Y313M109-F130 HydrophobicContact CB-CD1 3.72Å; M109-F130 HydrophobicContact CB-CE1 4.25Å; M109-F130 HydrophobicContact CE-CE1 4.4Å; Y110-F130 AromaticContact CD2-CD2 3.78Å; Y110-F130 HydrophobicContact CD2-CD2 3.78Å; Y110-F130 AromaticContact CD2-CE2 3.98Å; Y110-F130 HydrophobicContact CD2-CE2 3.98Å; Y110-F130 HydrophobicContact CG-CD2 4.49Å; Y113-F130 AromaticContact CD1-CE2 3.93Å; Y113-F130 HydrophobicContact CD1-CE2 3.93Å; Y113-F130 HydrophobicContact CD1-CZ 4.26Å; Y113-F130 HydrophobicContact CD2-CZ 4.18Å; Y113-F130 AromaticContact CG-CE2 3.91Å; Y113-F130 HydrophobicContact CG-CE2 3.91Å; Y113-F130 AromaticContact CG-CZ 3.76Å; Y113-F130 HydrophobicContact CG-CZ 3.76Å; L118-F130 HydrophobicContact CD1-CE1 4.49Å; L118-F130 HydrophobicContact CD1-CZ 4.35Å; V125-F130 HydrophobicContact CB-CE2 4.14Å; V125-F130 HydrophobicContact CG2-CD2 4.3Å; V125-F130 HydrophobicContact CG2-CE1 4.4Å; V125-F130 HydrophobicContact CG2-CE2 3.37Å; V125-F130 HydrophobicContact CG2-CZ 3.42Å; V125-F130 VanDerWaalsContact CG2-CZ 3.42Å; D126-F130 WeakPolarHBondContact O-CD2 3.28Å; D126-F130 PolarHBondContact O-N 2.98Å; L127-F130 PolarHBondContact O-N 3.5Å; F130-S134 VanDerWaalsContact O-CB 3.31Å; F130-S134 WeakPolarHBondContact O-CB 3.27Å; F130-S134 PolarHBondContact O-N 3.06Å; F130-Y313 HydrophobicContact CD1-CE2 4.15Å; F130-Y313 HydrophobicContact CE1-CD2 4.28Å; F130-Y313 AromaticContact CE1-CE2 3.64Å; F130-Y313 HydrophobicContact CE1-CE2 3.64Å
131L94.5Very high88.3Confident21 Ų2125.5 Ų25.511%0.1114%0.138CC..Hα-helixtrans-66.6-40.6172.6-74.8168.1000111.1F102 L127 S128 F133 S134 S135 M180F102-L131 HydrophobicContact CE1-CD2 4.47Å; F102-L131 HydrophobicContact CE2-CB 4.01Å; F102-L131 HydrophobicContact CE2-CD2 3.88Å; F102-L131 VanDerWaalsContact CE2-O 3.24Å; F102-L131 WeakPolarHBondContact CE2-O 3.45Å; F102-L131 HydrophobicContact CZ-CB 4.25Å; F102-L131 HydrophobicContact CZ-CD2 3.79Å; L127-L131 HydrophobicContact CD1-CD1 4.34Å; L127-L131 HydrophobicContact CD1-CG 4.41Å; L127-L131 HydrophobicContact CG-CD1 4.11Å; L127-L131 PolarHBondContact O-N 3.22Å; S128-L131 PolarHBondContact O-N 2.9Å; L131-F133 PolarHBondContact O-N 3.36Å; L131-S134 CarbonylContact O-C 3.4Å; L131-S134 WeakPolarHBondContact O-CA 3.44Å; L131-S134 WeakPolarHBondContact O-CB 3.25Å; L131-S134 PolarHBondContact O-N 3.31Å; L131-S134 VanDerWaalsContact O-N 3.1Å; L131-S135 PolarHBondContact O-N 3.4Å; L131-M180 HydrophobicContact CB-CE 3.71Å; L131-M180 HydrophobicContact CB-CG 4.44Å; L131-M180 HydrophobicContact CB-SD 4.06Å; L131-M180 HydrophobicContact CD1-CE 4.26Å
132L93.9Very high88.7Confident0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-59.4-48.4174.6-179.365.1000111.2S128 S129 S134 S135 L136 Y177 M180 I181 T184 I371S128-L132 WeakPolarHBondContact O-CB 3.39Å; S128-L132 PolarHBondContact O-N 3.27Å; S129-L132 PolarHBondContact O-N 2.67Å; L132-S134 VanDerWaalsContact C-N 3.27Å; L132-S134 PolarHBondContact O-N 3.11Å; L132-S135 PolarHBondContact O-N 2.74Å; L132-S135 VanDerWaalsContact O-N 3.14Å; L132-S135 PolarHBondContact O-OG 2.95Å; L132-L136 PolarHBondContact O-N 2.95Å; L132-Y177 HydrophobicContact CD1-CD2 3.76Å; L132-Y177 HydrophobicContact CD1-CE2 3.93Å; L132-M180 HydrophobicContact CB-CB 4.25Å; L132-M180 HydrophobicContact CD1-CB 3.79Å; L132-I181 HydrophobicContact CD1-CG1 3.63Å; L132-I181 HydrophobicContact CD2-CG1 4.48Å; L132-T184 HydrophobicContact CD2-CG2 4.31Å; L132-I371 HydrophobicContact CD2-CD1 3.99Å; L132-I371 HydrophobicContact CD2-CG1 4.16Å; L132-I371 HydrophobicContact CD2-CG2 3.82Å; L132-I371 HydrophobicContact CG-CD1 4.26Å
133F94.7Very high89.1Confident1 Ų118.5 Ų18.50%0.00411%0.105CC..Hα-helixtrans-58.7-39.5172.4171.6-107000112.6S129 L131 S135 L136 I137 Y313 S317 I387 T390 I394S129-F133 PolarHBondContact O-N 3.42Å; L131-F133 PolarHBondContact O-N 3.36Å; F133-S135 VanDerWaalsContact C-N 3.34Å; F133-L136 HydrophobicContact CD2-CD1 4.25Å; F133-L136 HydrophobicContact CE2-CD1 4.49Å; F133-L136 VanDerWaalsContact O-CG 3.32Å; F133-L136 WeakPolarHBondContact O-CG 3.48Å; F133-I137 HydrophobicContact CE1-CG2 4.38Å; F133-I137 HydrophobicContact CE2-CB 4.47Å; F133-I137 HydrophobicContact CZ-CB 4.34Å; F133-I137 HydrophobicContact CZ-CG1 4.35Å; F133-I137 HydrophobicContact CZ-CG2 4.49Å; F133-I137 WeakPolarHBondContact O-CG2 3.4Å; F133-I137 PolarHBondContact O-N 2.74Å; F133-I137 VanDerWaalsContact O-N 3.13Å; F133-Y313 WeakPolarHBondContact CD1-OH 2.89Å; F133-Y313 HydrophobicContact CE1-CE1 4.3Å; F133-Y313 HydrophobicContact CE2-CE1 4.35Å; F133-Y313 WeakPolarHBondContact CG-OH 3.42Å; F133-Y313 HydrophobicContact CZ-CE1 4.21Å; F133-S317 WeakPolarHBondContact CE1-OG 3.39Å; F133-I387 HydrophobicContact CD2-CG1 4.33Å; F133-I387 HydrophobicContact CD2-CG2 3.98Å; F133-T390 HydrophobicContact CE2-CG2 3.99Å; F133-T390 HydrophobicContact CZ-CG2 3.74Å; F133-I394 HydrophobicContact CZ-CD1 4.18Å
134S96.5Very high89.4Confident0 Ų018.3 Ų18.30%011%0.106CC..Hα-helixtrans-64.6-40.2176.1-169.90000111.9F102 I105 G106 F130 L131 L132 L136 I137 V138F102-S134 VanDerWaalsContact C-OG 3.31Å; F102-S134 VanDerWaalsContact CA-OG 3.31Å; F102-S134 WeakPolarHBondContact CA-OG 3.39Å; F102-S134 WeakPolarHBondContact O-CB 3.48Å; F102-S134 PolarHBondContact O-OG 3.23Å; I105-S134 VanDerWaalsContact CB-OG 3.32Å; I105-S134 WeakPolarHBondContact CB-OG 3.21Å; G106-S134 PolarHBondContact N-OG 3.03Å; F130-S134 VanDerWaalsContact O-CB 3.31Å; F130-S134 WeakPolarHBondContact O-CB 3.27Å; F130-S134 PolarHBondContact O-N 3.06Å; L131-S134 CarbonylContact O-C 3.4Å; L131-S134 WeakPolarHBondContact O-CA 3.44Å; L131-S134 WeakPolarHBondContact O-CB 3.25Å; L131-S134 PolarHBondContact O-N 3.31Å; L131-S134 VanDerWaalsContact O-N 3.1Å; L132-S134 VanDerWaalsContact C-N 3.27Å; L132-S134 PolarHBondContact O-N 3.11Å; S134-L136 PolarHBondContact O-N 2.89Å; S134-I137 PolarHBondContact O-N 3.45Å; S134-V138 WeakPolarHBondContact O-CG2 3.34Å; S134-V138 PolarHBondContact O-N 3.3Å
135S95.7Very high89.7Confident0 Ų014.4 Ų14.40%08%0.082CC..Hα-helixtrans-62.2-43.5-177.970.90000111.5L131 L132 F133 T173 Y177L131-S135 PolarHBondContact O-N 3.4Å; L132-S135 PolarHBondContact O-N 2.74Å; L132-S135 VanDerWaalsContact O-N 3.14Å; L132-S135 PolarHBondContact O-OG 2.95Å; F133-S135 VanDerWaalsContact C-N 3.34Å; S135-T173 WeakPolarHBondContact O-CG2 3.42Å; S135-Y177 WeakPolarHBondContact OG-CA 3.48Å
136L94.4Very high89.9Confident0 Ų014.4 Ų14.40%08%0.081CC..Hα-helixtrans-73.7-38.2179.165.890.9000112.8L132 F133 S134 V138 Y177 A364 L367 A368 I371 I387 T391L132-L136 PolarHBondContact O-N 2.95Å; F133-L136 HydrophobicContact CD2-CD1 4.25Å; F133-L136 HydrophobicContact CE2-CD1 4.49Å; F133-L136 VanDerWaalsContact O-CG 3.32Å; F133-L136 WeakPolarHBondContact O-CG 3.48Å; S134-L136 PolarHBondContact O-N 2.89Å; L136-V138 PolarHBondContact O-N 3.36Å; L136-Y177 HydrophobicContact CB-CD2 4.42Å; L136-A364 WeakPolarHBondContact O-CA 3.42Å; L136-A364 WeakPolarHBondContact O-CB 3.35Å; L136-L367 HydrophobicContact CB-CB 3.73Å; L136-L367 HydrophobicContact CB-CD1 4.16Å; L136-A368 HydrophobicContact CD1-CB 4.26Å; L136-A368 HydrophobicContact CD2-CB 4.3Å; L136-I371 HydrophobicContact CD2-CD1 3.76Å; L136-I387 HydrophobicContact CD2-CG2 3.96Å; L136-T391 HydrophobicContact CD1-CG2 3.99Å; L136-T391 WeakPolarHBondContact CD1-OG1 3.18Å
137I95.1Very high89.8Confident1 Ų111.7 Ų11.71%0.0057%0.072CC..Hα-helixtrans-75.3-15.4-174.3-159.259.2000112I105 F133 S134 A139 R360 A364 T391 I394I105-I137 HydrophobicContact CD1-CG2 4.29Å; I105-I137 HydrophobicContact CG2-CG2 4.22Å; F133-I137 HydrophobicContact CE1-CG2 4.38Å; F133-I137 HydrophobicContact CE2-CB 4.47Å; F133-I137 HydrophobicContact CZ-CB 4.34Å; F133-I137 HydrophobicContact CZ-CG1 4.35Å; F133-I137 HydrophobicContact CZ-CG2 4.49Å; F133-I137 WeakPolarHBondContact O-CG2 3.4Å; F133-I137 PolarHBondContact O-N 2.74Å; F133-I137 VanDerWaalsContact O-N 3.13Å; S134-I137 PolarHBondContact O-N 3.45Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 3.12Å; I137-R360 HydrophobicContact CD1-CG 4.22Å; I137-R360 VanDerWaalsContact O-CD 3.25Å; I137-R360 WeakPolarHBondContact O-CD 3.21Å; I137-R360 PolarHBondContact O-NE 3.32Å; I137-R360 PolarHBondContact O-NH1 3.35Å; I137-R360 PolarHBondContact O-NH2 2.88Å; I137-A364 HydrophobicContact CD1-CB 4.46Å; I137-T391 HydrophobicContact CD1-CG2 4.21Å; I137-I394 HydrophobicContact CD1-CB 4.24Å; I137-I394 HydrophobicContact CD1-CD1 3.94Å; I137-I394 HydrophobicContact CD1-CG2 4.02Å; I137-I394 HydrophobicContact CG1-CD1 4.1Å
138V94.6Very high89.3Confident0 Ų09.6 Ų9.60%06%0.061CC..THydrogen-bonded Turntrans-71.7-18.8-179.6166.90000113.6T98 N101 F102 I105 S134 L136 I140 N169 R360T98-V138 HydrophobicContact CG2-CG1 4.23Å; N101-V138 HydrophobicContact CB-CG1 4.08Å; N101-V138 HydrophobicContact CB-CG2 3.93Å; F102-V138 HydrophobicContact CB-CG2 4.05Å; I105-V138 HydrophobicContact CD1-CG2 4.11Å; S134-V138 WeakPolarHBondContact O-CG2 3.34Å; S134-V138 PolarHBondContact O-N 3.3Å; L136-V138 PolarHBondContact O-N 3.36Å; V138-I140 PolarHBondContact O-N 2.84Å; V138-N169 PolarHBondContact O-ND2 2.93Å; V138-N169 PolarHBondContact O-OD1 2.77Å; V138-R360 VanDerWaalsContact CA-NH1 3.35Å; V138-R360 PolarHBondContact O-NH1 2.82Å
139A92.4Very high88.9Confident0 Ų09.3 Ų9.30%06%0.059CC..  trans-56.6136.6171.100000111.1I137 T173 R360 V363 A364I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 3.12Å; A139-T173 HydrophobicContact CB-CG2 3.68Å; A139-T173 PolarHBondContact N-OG1 3.41Å; A139-R360 VanDerWaalsContact O-CD 3.24Å; A139-R360 WeakPolarHBondContact O-CD 3.42Å; A139-R360 PolarHBondContact O-NH1 3.48Å; A139-V363 HydrophobicContact CB-CB 4.07Å; A139-V363 HydrophobicContact CB-CG1 4.07Å; A139-A364 HydrophobicContact CB-CB 4.47Å
140I90Very high88.3Confident4 Ų414.5 Ų14.52%0.0218%0.083CC..  trans-127.1138-175.9-69171.6000108.6V138 N169 L359V138-I140 PolarHBondContact O-N 2.84Å; I140-N169 WeakPolarHBondContact CB-ND2 3.4Å; I140-N169 WeakPolarHBondContact CG1-ND2 3.46Å; I140-N169 PolarHBondContact N-ND2 3.02Å; I140-L359 CarbonylContact C-O 3.5Å; I140-L359 VanDerWaalsContact CA-O 3.26Å; I140-L359 WeakPolarHBondContact CA-O 3.3Å; I140-L359 WeakPolarHBondContact CG2-O 3.34Å
141D87.6Confident87.5Confident26 Ų2619.9 Ų19.914%0.13911%0.112CC..  trans-120.8111.5178.3-178.8-0.4000110.7V143 F295 L359D141-V143 WeakPolarHBondContact OD1-CB 3.45Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.33Å; D141-V143 PolarHBondContact OD1-N 3.4Å; D141-V143 VanDerWaalsContact OD1-N 3.08Å; D141-F295 WeakPolarHBondContact OD2-CZ 3.49Å; D141-L359 PolarHBondContact N-O 3.02Å; D141-L359 WeakPolarHBondContact O-CB 3.49Å; D141-L359 WeakPolarHBondContact O-CD1 3.32Å
142P83.7Confident86.5Confident6 Ų620.9 Ų20.94%0.03912%0.117CC..  trans-93.413.4-175.640-40000112.7A144 V145 L146 V162 S166P142-A144 VanDerWaalsContact C-N 3.31Å; P142-A144 PolarHBondContact O-N 3.42Å; P142-V145 CarbonylContact O-C 3.51Å; P142-V145 WeakPolarHBondContact O-CA 3.11Å; P142-V145 WeakPolarHBondContact O-CB 3.19Å; P142-V145 PolarHBondContact O-N 2.69Å; P142-L146 HydrophobicContact CB-CD1 4.23Å; P142-L146 HydrophobicContact CB-CG 4.03Å; P142-L146 HydrophobicContact CG-CD1 3.6Å; P142-L146 HydrophobicContact CG-CG 3.98Å; P142-L146 WeakPolarHBondContact O-CG 3.33Å; P142-L146 PolarHBondContact O-N 3.16Å; P142-V162 HydrophobicContact CB-CG1 3.51Å; P142-V162 HydrophobicContact CG-CG1 4.27Å; P142-S166 WeakPolarHBondContact CD-OG 3.3Å; P142-S166 VanDerWaalsContact CG-CB 3.4Å; P142-S166 WeakPolarHBondContact CG-OG 3.36Å
143V80.8Confident85.3Confident42 Ų4222.7 Ų22.726%0.25514%0.135SC..Hα-helixtrans-50.2-47.1-172.1165.20000113.1D141 V145 L146 A147 E291D141-V143 WeakPolarHBondContact OD1-CB 3.45Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.33Å; D141-V143 PolarHBondContact OD1-N 3.4Å; D141-V143 VanDerWaalsContact OD1-N 3.08Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 2.99Å; V143-L146 PolarHBondContact O-N 3.1Å; V143-A147 WeakPolarHBondContact O-CB 3.34Å; V143-A147 PolarHBondContact O-N 3.1Å; V143-E291 WeakPolarHBondContact CG1-OE1 3.39Å; V143-E291 WeakPolarHBondContact CG2-OE1 3.25Å
144A81.6Confident84.1Confident11 Ų1123.1 Ų23.19%0.09114%0.137CC..Hα-helixtrans-61.4-39.8177.700000112.2P25 P142 I148 L359 M406P25-A144 HydrophobicContact CB-CB 4.28Å; P142-A144 VanDerWaalsContact C-N 3.31Å; P142-A144 PolarHBondContact O-N 3.42Å; A144-I148 VanDerWaalsContact O-CD1 3.25Å; A144-I148 WeakPolarHBondContact O-CD1 3.42Å; A144-I148 VanDerWaalsContact O-CG1 3.25Å; A144-I148 WeakPolarHBondContact O-CG1 3.34Å; A144-I148 PolarHBondContact O-N 2.73Å; A144-L359 HydrophobicContact CB-CD1 4Å; A144-M406 HydrophobicContact CB-CG 4.5Å
145V82.9Confident82.9Confident0 Ų024.9 Ų24.90%015%0.145CC..Hα-helixtrans-70-45.4179.8-178.30000110.7P142 V143 I148 F149 V162 I353 L359 M406P142-V145 CarbonylContact O-C 3.51Å; P142-V145 WeakPolarHBondContact O-CA 3.11Å; P142-V145 WeakPolarHBondContact O-CB 3.19Å; P142-V145 PolarHBondContact O-N 2.69Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 2.99Å; V145-I148 PolarHBondContact O-N 3.04Å; V145-F149 HydrophobicContact CG1-CD1 3.95Å; V145-F149 HydrophobicContact CG1-CD2 4.22Å; V145-F149 HydrophobicContact CG1-CE1 3.5Å; V145-F149 HydrophobicContact CG1-CE2 3.76Å; V145-F149 HydrophobicContact CG1-CG 4.33Å; V145-F149 HydrophobicContact CG1-CZ 3.41Å; V145-F149 VanDerWaalsContact CG1-CZ 3.41Å; V145-F149 WeakPolarHBondContact O-CB 3.45Å; V145-F149 WeakPolarHBondContact O-CD1 3.42Å; V145-F149 VanDerWaalsContact O-CG 3.24Å; V145-F149 WeakPolarHBondContact O-CG 3.38Å; V145-F149 PolarHBondContact O-N 3.04Å; V145-V162 HydrophobicContact CG1-CG1 4.48Å; V145-I353 HydrophobicContact CG1-CG2 4.24Å; V145-L359 HydrophobicContact CG2-CD1 3.87Å; V145-M406 HydrophobicContact CB-CE 4.34Å; V145-M406 HydrophobicContact CG1-CE 4.28Å; V145-M406 HydrophobicContact CG2-CE 3.45Å; V145-M406 VanDerWaalsContact CG2-CE 3.45Å; V145-M406 HydrophobicContact CG2-CG 4.11Å; V145-M406 HydrophobicContact CG2-SD 3.76Å
146L84.7Confident81.9Confident17 Ų1726.7 Ų26.79%0.08916%0.155CC..Hα-helixtrans-66.3-39.4-179.3-65.6-179.4000111.9P142 V143 I148 F149 Q150 Y159 V162 F163P142-L146 HydrophobicContact CB-CD1 4.23Å; P142-L146 HydrophobicContact CB-CG 4.03Å; P142-L146 HydrophobicContact CG-CD1 3.6Å; P142-L146 HydrophobicContact CG-CG 3.98Å; P142-L146 WeakPolarHBondContact O-CG 3.33Å; P142-L146 PolarHBondContact O-N 3.16Å; V143-L146 PolarHBondContact O-N 3.1Å; L146-I148 VanDerWaalsContact C-N 3.35Å; L146-I148 PolarHBondContact O-N 3.34Å; L146-F149 HydrophobicContact CD2-CD2 4.41Å; L146-F149 PolarHBondContact O-N 3.07Å; L146-Q150 WeakPolarHBondContact O-CG 3.44Å; L146-Q150 PolarHBondContact O-N 3.05Å; L146-Y159 HydrophobicContact CB-CE2 4.45Å; L146-Y159 HydrophobicContact CD2-CD2 3.85Å; L146-Y159 HydrophobicContact CD2-CE2 3.82Å; L146-V162 HydrophobicContact CD2-CB 4.42Å; L146-V162 HydrophobicContact CD2-CG1 4.11Å; L146-F163 HydrophobicContact CD1-CB 4.06Å; L146-F163 HydrophobicContact CD1-CD2 3.52Å; L146-F163 HydrophobicContact CD1-CE2 4.4Å; L146-F163 HydrophobicContact CD1-CG 4.2Å; L146-F163 HydrophobicContact CD2-CB 4.01Å
147A81.7Confident81.1Confident44 Ų4429 Ų2936%0.36417%0.167SC..Hα-helixtrans-58.8-47.417400000111.1V143 F149 Q150 D151V143-A147 WeakPolarHBondContact O-CB 3.34Å; V143-A147 PolarHBondContact O-N 3.1Å; A147-F149 VanDerWaalsContact C-N 3.32Å; A147-F149 PolarHBondContact O-N 3.05Å; A147-Q150 PolarHBondContact O-N 3.04Å; A147-D151 PolarHBondContact O-N 2.77Å
148I79Confident80.5Confident12 Ų1229 Ų296%0.06217%0.167CC..Hα-helixtrans-65-37.6177.5-66.4162.1000111.4A144 V145 L146 Q150 D151 I152 M406 K407 V410A144-I148 VanDerWaalsContact O-CD1 3.25Å; A144-I148 WeakPolarHBondContact O-CD1 3.42Å; A144-I148 VanDerWaalsContact O-CG1 3.25Å; A144-I148 WeakPolarHBondContact O-CG1 3.34Å; A144-I148 PolarHBondContact O-N 2.73Å; V145-I148 PolarHBondContact O-N 3.04Å; L146-I148 VanDerWaalsContact C-N 3.35Å; L146-I148 PolarHBondContact O-N 3.34Å; I148-Q150 VanDerWaalsContact C-N 3.32Å; I148-Q150 PolarHBondContact O-N 3.42Å; I148-D151 PolarHBondContact O-N 3.43Å; I148-I152 HydrophobicContact CG2-CD1 3.44Å; I148-I152 VanDerWaalsContact CG2-CD1 3.44Å; I148-I152 HydrophobicContact CG2-CG1 4.21Å; I148-I152 WeakPolarHBondContact O-CB 3.19Å; I148-I152 VanDerWaalsContact O-CG1 3.27Å; I148-I152 WeakPolarHBondContact O-CG1 3.36Å; I148-I152 PolarHBondContact O-N 3.06Å; I148-M406 HydrophobicContact CD1-CB 3.41Å; I148-M406 VanDerWaalsContact CD1-CB 3.41Å; I148-M406 HydrophobicContact CD1-CG 4.47Å; I148-K407 HydrophobicContact CD1-CB 3.79Å; I148-K407 HydrophobicContact CD1-CG 4.35Å; I148-K407 HydrophobicContact CG1-CB 4.27Å; I148-K407 HydrophobicContact CG1-CG 4.31Å; I148-V410 HydrophobicContact CG2-CB 4.16Å; I148-V410 HydrophobicContact CG2-CG1 4.08Å; I148-V410 HydrophobicContact CG2-CG2 4.22Å
149F80.7Confident80.2Confident5 Ų531.2 Ų31.22%0.02218%0.176CC..Hα-helixtrans-64.5-38.6177.6-74.97.9000112V145 L146 A147 G153 L154 L158 Y159 V162 I353 V410V145-F149 HydrophobicContact CG1-CD1 3.95Å; V145-F149 HydrophobicContact CG1-CD2 4.22Å; V145-F149 HydrophobicContact CG1-CE1 3.5Å; V145-F149 HydrophobicContact CG1-CE2 3.76Å; V145-F149 HydrophobicContact CG1-CG 4.33Å; V145-F149 HydrophobicContact CG1-CZ 3.41Å; V145-F149 VanDerWaalsContact CG1-CZ 3.41Å; V145-F149 WeakPolarHBondContact O-CB 3.45Å; V145-F149 WeakPolarHBondContact O-CD1 3.42Å; V145-F149 VanDerWaalsContact O-CG 3.24Å; V145-F149 WeakPolarHBondContact O-CG 3.38Å; V145-F149 PolarHBondContact O-N 3.04Å; L146-F149 HydrophobicContact CD2-CD2 4.41Å; L146-F149 PolarHBondContact O-N 3.07Å; A147-F149 VanDerWaalsContact C-N 3.32Å; A147-F149 PolarHBondContact O-N 3.05Å; F149-G153 PolarHBondContact O-N 2.84Å; F149-L154 HydrophobicContact CB-CD1 4.36Å; F149-L154 HydrophobicContact CD1-CD1 3.28Å; F149-L154 HydrophobicContact CE1-CD1 3.53Å; F149-L154 HydrophobicContact CG-CD1 3.86Å; F149-L154 HydrophobicContact CZ-CD1 4.33Å; F149-L154 PolarHBondContact O-N 2.84Å; F149-L158 HydrophobicContact CE1-CD2 4.44Å; F149-L158 HydrophobicContact CE2-CD2 3.85Å; F149-L158 HydrophobicContact CE2-CG 3.81Å; F149-L158 HydrophobicContact CZ-CD2 3.51Å; F149-L158 HydrophobicContact CZ-CG 3.97Å; F149-Y159 HydrophobicContact CB-CD2 4.2Å; F149-Y159 HydrophobicContact CD2-CD2 4.35Å; F149-V162 HydrophobicContact CE2-CG2 4.13Å; F149-I353 HydrophobicContact CE1-CG2 3.83Å; F149-I353 HydrophobicContact CZ-CG2 3.54Å; F149-V410 HydrophobicContact CE1-CG2 4.44Å
150Q77.1Confident79.9Confident113 Ų11332.2 Ų32.253%0.52818%0.18SC..Hα-helixtrans-68.2-41.9174.9-71176.2-4.100111.5L146 A147 I148 I152 Y159L146-Q150 WeakPolarHBondContact O-CG 3.44Å; L146-Q150 PolarHBondContact O-N 3.05Å; A147-Q150 PolarHBondContact O-N 3.04Å; I148-Q150 VanDerWaalsContact C-N 3.32Å; I148-Q150 PolarHBondContact O-N 3.42Å; Q150-I152 VanDerWaalsContact C-N 3.33Å; Q150-I152 PolarHBondContact O-N 3.14Å; Q150-Y159 HydrophobicContact CG-CE2 4.01Å; Q150-Y159 PolarHBondContact NE2-OH 3.33Å; Q150-Y159 VanDerWaalsContact NE2-OH 3.16Å
151D75.7Confident79.8Confident115 Ų11532.2 Ų32.262%0.61518%0.18SC*.Hα-helixtrans-61.8-40.2176.8-75.8-9.1000112.7A147 I148A147-D151 PolarHBondContact O-N 2.77Å; I148-D151 PolarHBondContact O-N 3.43Å
152I73.4Confident80Confident42 Ų4231.4 Ų31.422%0.21518%0.176CC..Hα-helixtrans-88.7-21.6-172.1-66.5178.1000111.8I148 Q150 L154 V410 M417I148-I152 HydrophobicContact CG2-CD1 3.44Å; I148-I152 VanDerWaalsContact CG2-CD1 3.44Å; I148-I152 HydrophobicContact CG2-CG1 4.21Å; I148-I152 WeakPolarHBondContact O-CB 3.19Å; I148-I152 VanDerWaalsContact O-CG1 3.27Å; I148-I152 WeakPolarHBondContact O-CG1 3.36Å; I148-I152 PolarHBondContact O-N 3.06Å; Q150-I152 VanDerWaalsContact C-N 3.33Å; Q150-I152 PolarHBondContact O-N 3.14Å; I152-L154 HydrophobicContact CB-CG 4.36Å; I152-L154 HydrophobicContact CG2-CD2 4.15Å; I152-L154 HydrophobicContact CG2-CG 3.96Å; I152-V410 HydrophobicContact CD1-CB 4.41Å; I152-V410 HydrophobicContact CD1-CG1 3.57Å; I152-M417 HydrophobicContact CG2-CE 3.19Å; I152-M417 HydrophobicContact CG2-SD 3.34Å; I152-M417 WeakPolarHBondContact CG2-SD 3.16Å
153G70Confident80.2Confident37 Ų3731.9 Ų31.938%0.38118%0.177SC..THydrogen-bonded Turntrans73.144-177.700000112.9F149 E418F149-G153 PolarHBondContact O-N 2.84Å; G153-E418 PolarHBondContact O-N 3.34Å
154L69.3Low80.7Confident10 Ų1029.9 Ų29.95%0.05217%0.165CC..BIsolated β-bridgetrans-69.5168.6179.8-75173.4000113.4F149 I152 L156 V410 I415 M417F149-L154 HydrophobicContact CB-CD1 4.36Å; F149-L154 HydrophobicContact CD1-CD1 3.28Å; F149-L154 HydrophobicContact CE1-CD1 3.53Å; F149-L154 HydrophobicContact CG-CD1 3.86Å; F149-L154 HydrophobicContact CZ-CD1 4.33Å; F149-L154 PolarHBondContact O-N 2.84Å; I152-L154 HydrophobicContact CB-CG 4.36Å; I152-L154 HydrophobicContact CG2-CD2 4.15Å; I152-L154 HydrophobicContact CG2-CG 3.96Å; L154-L156 PolarHBondContact O-N 3.31Å; L154-V410 HydrophobicContact CD1-CG1 4.08Å; L154-I415 HydrophobicContact CD1-CD1 4.35Å; L154-I415 HydrophobicContact CD2-CB 3.6Å; L154-I415 HydrophobicContact CD2-CD1 4.39Å; L154-I415 HydrophobicContact CD2-CG2 3.62Å; L154-M417 HydrophobicContact CD2-SD 4.11Å
155E70.3Confident81.2Confident38 Ų3829.5 Ų29.518%0.17816%0.162CC..  trans-57.1134.8177.166-177.3163.600113.2N157 L158 Y159E155-N157 PolarHBondContact O-N 3.49Å; E155-N157 VanDerWaalsContact O-N 3.1Å; E155-L158 HydrophobicContact CG-CB 4.1Å; E155-L158 PolarHBondContact O-N 2.91Å; E155-Y159 PolarHBondContact O-N 2.92Å
156L75Confident81.5Confident37 Ų3730 Ų3019%0.19417%0.165CC..Hα-helixtrans-59.5-26.2-179.5-83.964.8000112.6L154 Y159 Y160 E418L154-L156 PolarHBondContact O-N 3.31Å; L156-Y159 PolarHBondContact O-N 3.3Å; L156-Y160 HydrophobicContact CB-CD2 4.03Å; L156-Y160 HydrophobicContact CB-CE2 3.9Å; L156-Y160 HydrophobicContact CD2-CE2 4.04Å; L156-Y160 HydrophobicContact CG-CE2 4.05Å; L156-Y160 WeakPolarHBondContact O-CB 3.43Å; L156-Y160 WeakPolarHBondContact O-CD2 3.49Å; L156-Y160 PolarHBondContact O-N 3.04Å; L156-E418 HydrophobicContact CD1-CB 4.38Å; L156-E418 HydrophobicContact CD1-CG 4Å; L156-E418 WeakPolarHBondContact CD1-OE1 3.48Å; L156-E418 WeakPolarHBondContact CD1-OE2 3.33Å
157N77.7Confident81.8Confident48 Ų4829.6 Ų29.626%0.25716%0.163SC..Hα-helixtrans-62.9-53.8-175.8-52.1-9.5000110.5Y86 E155 Y159 Y160 I161Y86-N157 HydrophobicContact CE2-CB 4.36Å; Y86-N157 PolarHBondContact OH-OD1 3.34Å; E155-N157 PolarHBondContact O-N 3.49Å; E155-N157 VanDerWaalsContact O-N 3.1Å; N157-Y159 VanDerWaalsContact C-N 3.34Å; N157-Y160 PolarHBondContact O-N 2.98Å; N157-I161 WeakPolarHBondContact O-CD1 3.02Å; N157-I161 VanDerWaalsContact O-CG1 3.24Å; N157-I161 WeakPolarHBondContact O-CG1 3.19Å; N157-I161 PolarHBondContact O-N 2.77Å
158L83.1Confident82.3Confident3 Ų329.4 Ų29.42%0.01616%0.155CC..Hα-helixtrans-66.8-39.3-179.8-173.164.7000111F149 E155 Y160 I161 V162 E350 I353 L354F149-L158 HydrophobicContact CE1-CD2 4.44Å; F149-L158 HydrophobicContact CE2-CD2 3.85Å; F149-L158 HydrophobicContact CE2-CG 3.81Å; F149-L158 HydrophobicContact CZ-CD2 3.51Å; F149-L158 HydrophobicContact CZ-CG 3.97Å; E155-L158 HydrophobicContact CG-CB 4.1Å; E155-L158 PolarHBondContact O-N 2.91Å; L158-Y160 PolarHBondContact O-N 3.3Å; L158-I161 PolarHBondContact O-N 2.87Å; L158-V162 HydrophobicContact CD1-CG2 4.24Å; L158-V162 HydrophobicContact CG-CG2 4.33Å; L158-V162 WeakPolarHBondContact O-CG2 3.33Å; L158-V162 PolarHBondContact O-N 3.18Å; L158-E350 HydrophobicContact CD1-CB 4.01Å; L158-E350 HydrophobicContact CD1-CG 4.19Å; L158-E350 HydrophobicContact CD2-CB 4.49Å; L158-E350 HydrophobicContact CD2-CG 4.11Å; L158-I353 HydrophobicContact CD2-CD1 3.99Å; L158-I353 HydrophobicContact CD2-CG2 4.49Å; L158-L354 HydrophobicContact CD1-CD1 4.17Å; L158-L354 HydrophobicContact CD1-CD2 4.29Å; L158-L354 HydrophobicContact CD1-CG 4.01Å
159Y86.9Confident83Confident45 Ų4528.8 Ų28.818%0.17615%0.152CC..Hα-helixtrans-55.6-52.2175.4178-90.3000111.7L146 F149 Q150 E155 L156 N157 I161 V162 F163L146-Y159 HydrophobicContact CB-CE2 4.45Å; L146-Y159 HydrophobicContact CD2-CD2 3.85Å; L146-Y159 HydrophobicContact CD2-CE2 3.82Å; F149-Y159 HydrophobicContact CB-CD2 4.2Å; F149-Y159 HydrophobicContact CD2-CD2 4.35Å; Q150-Y159 HydrophobicContact CG-CE2 4.01Å; Q150-Y159 PolarHBondContact NE2-OH 3.33Å; Q150-Y159 VanDerWaalsContact NE2-OH 3.16Å; E155-Y159 PolarHBondContact O-N 2.92Å; L156-Y159 PolarHBondContact O-N 3.3Å; N157-Y159 VanDerWaalsContact C-N 3.34Å; Y159-I161 VanDerWaalsContact C-N 3.35Å; Y159-I161 PolarHBondContact O-N 3.36Å; Y159-V162 PolarHBondContact O-N 2.87Å; Y159-F163 WeakPolarHBondContact O-CB 3.42Å; Y159-F163 PolarHBondContact O-N 3.49Å
160Y86.8Confident83.6Confident22 Ų2230.2 Ų30.29%0.08616%0.16CC..Hα-helixtrans-68.7-31.7-179-78.4-52.4000113.4N80 T82 F83 L156 N157 L158 G164N80-Y160 HydrophobicContact CB-CE1 4.13Å; N80-Y160 HydrophobicContact CB-CE2 4.32Å; N80-Y160 WeakPolarHBondContact CB-OH 3.23Å; N80-Y160 PolarHBondContact ND2-OH 2.69Å; T82-Y160 WeakPolarHBondContact OG1-CE2 3.39Å; F83-Y160 HydrophobicContact CB-CD1 4.03Å; F83-Y160 HydrophobicContact CB-CE1 4.42Å; F83-Y160 HydrophobicContact CB-CG 4.24Å; F83-Y160 HydrophobicContact CD2-CD1 4.11Å; F83-Y160 HydrophobicContact CD2-CG 4.32Å; F83-Y160 HydrophobicContact CG-CD1 4.49Å; L156-Y160 HydrophobicContact CB-CD2 4.03Å; L156-Y160 HydrophobicContact CB-CE2 3.9Å; L156-Y160 HydrophobicContact CD2-CE2 4.04Å; L156-Y160 HydrophobicContact CG-CE2 4.05Å; L156-Y160 WeakPolarHBondContact O-CB 3.43Å; L156-Y160 WeakPolarHBondContact O-CD2 3.49Å; L156-Y160 PolarHBondContact O-N 3.04Å; N157-Y160 PolarHBondContact O-N 2.98Å; L158-Y160 PolarHBondContact O-N 3.3Å; Y160-G164 PolarHBondContact O-N 2.98Å
161I88.9Confident84.4Confident4 Ų424.9 Ų24.92%0.02114%0.135CC..Hα-helixtrans-65.5-53.5174.6-68.6165.8000110.1T89 V90 N157 L158 Y159 E165 I344 L354T89-I161 HydrophobicContact CG2-CD1 4.34Å; T89-I161 HydrophobicContact CG2-CG1 4.5Å; V90-I161 HydrophobicContact CG2-CG1 4.45Å; N157-I161 WeakPolarHBondContact O-CD1 3.02Å; N157-I161 VanDerWaalsContact O-CG1 3.24Å; N157-I161 WeakPolarHBondContact O-CG1 3.19Å; N157-I161 PolarHBondContact O-N 2.77Å; L158-I161 PolarHBondContact O-N 2.87Å; Y159-I161 VanDerWaalsContact C-N 3.35Å; Y159-I161 PolarHBondContact O-N 3.36Å; I161-E165 WeakPolarHBondContact O-CB 3.4Å; I161-E165 PolarHBondContact O-N 3.21Å; I161-I344 HydrophobicContact CD1-CD1 4.29Å; I161-L354 HydrophobicContact CG2-CD2 4.12Å
162V89.9Confident85.3Confident9 Ų920 Ų206%0.05511%0.109CC..Hα-helixtrans-63.2-46.8-178.31740000111.4P142 V145 L146 F149 L158 Y159 E165 S166 L354P142-V162 HydrophobicContact CB-CG1 3.51Å; P142-V162 HydrophobicContact CG-CG1 4.27Å; V145-V162 HydrophobicContact CG1-CG1 4.48Å; L146-V162 HydrophobicContact CD2-CB 4.42Å; L146-V162 HydrophobicContact CD2-CG1 4.11Å; F149-V162 HydrophobicContact CE2-CG2 4.13Å; L158-V162 HydrophobicContact CD1-CG2 4.24Å; L158-V162 HydrophobicContact CG-CG2 4.33Å; L158-V162 WeakPolarHBondContact O-CG2 3.33Å; L158-V162 PolarHBondContact O-N 3.18Å; Y159-V162 PolarHBondContact O-N 2.87Å; V162-E165 PolarHBondContact O-N 3.38Å; V162-S166 PolarHBondContact O-N 2.91Å; V162-S166 VanDerWaalsContact O-N 3.1Å; V162-S166 PolarHBondContact O-OG 3.19Å; V162-L354 HydrophobicContact CG2-CD2 3.54Å; V162-L354 HydrophobicContact CG2-CG 4.47Å
163F89.1Confident86.3Confident15 Ų1518 Ų187%0.06610%0.099CC..Hα-helixtrans-67.6-41.4-178.9177.4-119.5000112.8S74 L78 L146 Y159 S166 L167S74-F163 WeakPolarHBondContact O-CZ 3.32Å; L78-F163 HydrophobicContact CB-CE1 3.86Å; L78-F163 HydrophobicContact CD1-CD1 3.46Å; L78-F163 VanDerWaalsContact CD1-CD1 3.46Å; L78-F163 HydrophobicContact CD1-CE1 3.68Å; L78-F163 HydrophobicContact CG-CE1 4.42Å; L146-F163 HydrophobicContact CD1-CB 4.06Å; L146-F163 HydrophobicContact CD1-CD2 3.52Å; L146-F163 HydrophobicContact CD1-CE2 4.4Å; L146-F163 HydrophobicContact CD1-CG 4.2Å; L146-F163 HydrophobicContact CD2-CB 4.01Å; Y159-F163 WeakPolarHBondContact O-CB 3.42Å; Y159-F163 PolarHBondContact O-N 3.49Å; F163-S166 PolarHBondContact O-OG 3.04Å; F163-L167 PolarHBondContact O-N 3.04Å
164G90.4Very high87.4Confident0 Ų016.4 Ų16.40%08%0.082CC..Hα-helixtrans-68.5-37.7176.300000112.4V90 Y160 L168V90-G164 VanDerWaalsContact CG1-C 3.5Å; Y160-G164 PolarHBondContact O-N 2.98Å; G164-L168 WeakPolarHBondContact O-CB 3.35Å; G164-L168 WeakPolarHBondContact O-CG 3.42Å; G164-L168 PolarHBondContact O-N 3.16Å
165E91.8Very high88.6Confident4 Ų416 Ų162%0.0198%0.079CC..Hα-helixtrans-58.7-51.1175.2-179-167.8167.200110.9F93 I161 V162 N169 R325F93-E165 HydrophobicContact CB-CB 4.46Å; F93-E165 HydrophobicContact CB-CG 4.03Å; I161-E165 WeakPolarHBondContact O-CB 3.4Å; I161-E165 PolarHBondContact O-N 3.21Å; V162-E165 PolarHBondContact O-N 3.38Å; E165-N169 WeakPolarHBondContact O-CB 3.31Å; E165-N169 PolarHBondContact O-N 2.65Å; E165-R325 IonicContact OE1-CZ 3.65Å; E165-R325 IonicContact OE1-NH1 3.69Å; E165-R325 PolarHBondContact OE1-NH1 3.14Å; E165-R325 IonicContact OE1-NH2 3.53Å; E165-R325 PolarHBondContact OE1-NH2 3.47Å; E165-R325 IonicContact OE2-NH2 2.84Å; E165-R325 PolarHBondContact OE2-NH2 2.88Å
166S90.8Very high89.8Confident9 Ų914.7 Ų14.76%0.0637%0.074CC..Hα-helixtrans-65-46.6-176.761.80000113.3P142 V162 F163 L168 N169 D170P142-S166 WeakPolarHBondContact CD-OG 3.3Å; P142-S166 VanDerWaalsContact CG-CB 3.4Å; P142-S166 WeakPolarHBondContact CG-OG 3.36Å; V162-S166 PolarHBondContact O-N 2.91Å; V162-S166 VanDerWaalsContact O-N 3.1Å; V162-S166 PolarHBondContact O-OG 3.19Å; F163-S166 PolarHBondContact O-OG 3.04Å; S166-L168 VanDerWaalsContact C-N 3.33Å; S166-L168 PolarHBondContact O-N 3Å; S166-N169 PolarHBondContact O-N 3.23Å; S166-D170 PolarHBondContact O-N 3.44Å
167L90.9Very high90.7Very high9 Ų913.2 Ų13.25%0.0477%0.066CC..Hα-helixtrans-60.4-45.6-178.4178.862.7000111.2I71 S74 L78 F163 I257I71-L167 HydrophobicContact CG2-CD1 4.36Å; S74-L167 VanDerWaalsContact CB-CD1 3.41Å; L78-L167 HydrophobicContact CD2-CD2 3.88Å; F163-L167 PolarHBondContact O-N 3.04Å; L167-I257 HydrophobicContact CD1-CD1 4.33Å; L167-I257 HydrophobicContact CG-CD1 4.1Å; L167-I257 HydrophobicContact CG-CG1 4.49Å
168L92.6Very high91.4Very high40 Ų4015 Ų1521%0.2097%0.073CC..Hα-helixtrans-75-34.9180-70.2175.6000111.8V90 A94 G164 S166 D170 A171 I172 I257V90-L168 HydrophobicContact CG1-CD1 3.85Å; A94-L168 HydrophobicContact CB-CB 3.42Å; A94-L168 VanDerWaalsContact CB-CB 3.42Å; A94-L168 HydrophobicContact CB-CD1 4.01Å; A94-L168 HydrophobicContact CB-CG 4.38Å; G164-L168 WeakPolarHBondContact O-CB 3.35Å; G164-L168 WeakPolarHBondContact O-CG 3.42Å; G164-L168 PolarHBondContact O-N 3.16Å; S166-L168 VanDerWaalsContact C-N 3.33Å; S166-L168 PolarHBondContact O-N 3Å; L168-D170 VanDerWaalsContact C-N 3.32Å; L168-D170 PolarHBondContact O-N 3.37Å; L168-A171 WeakPolarHBondContact O-CB 3.35Å; L168-A171 PolarHBondContact O-N 3.4Å; L168-I172 HydrophobicContact CB-CD1 4.45Å; L168-I172 VanDerWaalsContact O-CD1 3.24Å; L168-I172 WeakPolarHBondContact O-CD1 3.4Å; L168-I172 VanDerWaalsContact O-CG1 3.25Å; L168-I172 WeakPolarHBondContact O-CG1 3.4Å; L168-I172 PolarHBondContact O-N 3.31Å; L168-I257 HydrophobicContact CD2-CD1 4.35Å; L168-I257 HydrophobicContact CD2-CG2 4.26Å
169N93.1Very high91.8Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-58.2-44.2174.617915.5000111.4T98 V138 I140 E165 S166 A171 I172 T173T98-N169 HydrophobicContact CG2-CB 3.67Å; T98-N169 WeakPolarHBondContact CG2-OD1 3.5Å; V138-N169 PolarHBondContact O-ND2 2.93Å; V138-N169 PolarHBondContact O-OD1 2.77Å; I140-N169 WeakPolarHBondContact CB-ND2 3.4Å; I140-N169 WeakPolarHBondContact CG1-ND2 3.46Å; I140-N169 PolarHBondContact N-ND2 3.02Å; E165-N169 WeakPolarHBondContact O-CB 3.31Å; E165-N169 PolarHBondContact O-N 2.65Å; S166-N169 PolarHBondContact O-N 3.23Å; N169-A171 VanDerWaalsContact C-N 3.29Å; N169-A171 PolarHBondContact O-N 2.7Å; N169-I172 PolarHBondContact O-N 2.86Å; N169-T173 VanDerWaalsContact O-CB 3.25Å; N169-T173 WeakPolarHBondContact O-CB 3.31Å; N169-T173 PolarHBondContact O-N 3.19Å; N169-T173 PolarHBondContact O-OG1 3.25Å; N169-T173 PolarHBondContact OD1-OG1 3.19Å
170D92.4Very high92.1Very high35 Ų3514.4 Ų14.419%0.1877%0.072CC..Hα-helixtrans-58.6-43.1176.9-75.8-8.8000111.8S166 L168 I172 T173 V174 V363S166-D170 PolarHBondContact O-N 3.44Å; L168-D170 VanDerWaalsContact C-N 3.32Å; L168-D170 PolarHBondContact O-N 3.37Å; D170-I172 PolarHBondContact O-N 3.1Å; D170-T173 PolarHBondContact O-N 3.35Å; D170-V174 WeakPolarHBondContact O-CG2 3.31Å; D170-V174 PolarHBondContact O-N 2.94Å; D170-V174 VanDerWaalsContact O-N 3.12Å; D170-V363 HydrophobicContact CB-CG2 4.33Å
171A94Very high92.3Very high1 Ų115.6 Ų15.61%0.0088%0.079CC..Hα-helixtrans-61.7-43.2176.800000112.4L168 N169 V175 I253 I254 I257L168-A171 WeakPolarHBondContact O-CB 3.35Å; L168-A171 PolarHBondContact O-N 3.4Å; N169-A171 VanDerWaalsContact C-N 3.29Å; N169-A171 PolarHBondContact O-N 2.7Å; A171-V175 WeakPolarHBondContact O-CG2 3.18Å; A171-V175 PolarHBondContact O-N 3.04Å; A171-I253 HydrophobicContact CB-CB 4.46Å; A171-I253 HydrophobicContact CB-CG2 3.53Å; A171-I254 HydrophobicContact CB-CG1 3.72Å; A171-I257 HydrophobicContact CB-CD1 3.8Å
172I95.4Very high92.2Very high11 Ų1118.1 Ų18.16%0.05610%0.101CC..Hα-helixtrans-73.8-37.7-177.6-66.6157.9000111A94 V95 T98 L168 N169 D170 V174 V175 L176 F201A94-I172 HydrophobicContact CB-CD1 4.34Å; A94-I172 WeakPolarHBondContact O-CD1 3.27Å; V95-I172 HydrophobicContact CB-CD1 4.09Å; V95-I172 HydrophobicContact CG2-CD1 3.49Å; V95-I172 VanDerWaalsContact CG2-CD1 3.49Å; T98-I172 WeakPolarHBondContact OG1-CG2 3.29Å; L168-I172 HydrophobicContact CB-CD1 4.45Å; L168-I172 VanDerWaalsContact O-CD1 3.24Å; L168-I172 WeakPolarHBondContact O-CD1 3.4Å; L168-I172 VanDerWaalsContact O-CG1 3.25Å; L168-I172 WeakPolarHBondContact O-CG1 3.4Å; L168-I172 PolarHBondContact O-N 3.31Å; N169-I172 PolarHBondContact O-N 2.86Å; D170-I172 PolarHBondContact O-N 3.1Å; I172-V174 VanDerWaalsContact C-N 3.34Å; I172-V174 PolarHBondContact O-N 3.49Å; I172-V175 PolarHBondContact O-N 3.09Å; I172-L176 HydrophobicContact CG2-CD1 4.11Å; I172-L176 HydrophobicContact CG2-CG 4.36Å; I172-L176 WeakPolarHBondContact O-CG 2.8Å; I172-L176 PolarHBondContact O-N 3.15Å; I172-F201 HydrophobicContact CG2-CE2 3.97Å; I172-F201 HydrophobicContact CG2-CZ 4.02Å
173T94.7Very high92Very high0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-57.7-46.3173.9-67.70000110.7S135 A139 N169 D170 V175 L176 Y177 L367S135-T173 WeakPolarHBondContact O-CG2 3.42Å; A139-T173 HydrophobicContact CB-CG2 3.68Å; A139-T173 PolarHBondContact N-OG1 3.41Å; N169-T173 VanDerWaalsContact O-CB 3.25Å; N169-T173 WeakPolarHBondContact O-CB 3.31Å; N169-T173 PolarHBondContact O-N 3.19Å; N169-T173 PolarHBondContact O-OG1 3.25Å; N169-T173 PolarHBondContact OD1-OG1 3.19Å; D170-T173 PolarHBondContact O-N 3.35Å; T173-V175 VanDerWaalsContact C-N 3.35Å; T173-V175 PolarHBondContact O-N 3.45Å; T173-L176 PolarHBondContact O-N 3.4Å; T173-Y177 WeakPolarHBondContact O-CB 3.28Å; T173-Y177 PolarHBondContact O-N 3.49Å; T173-L367 HydrophobicContact CG2-CD1 3.75Å
174V92.5Very high91.7Very high5 Ų518.6 Ų18.63%0.0310%0.103CC..Hα-helixtrans-63.7-39.9177.7174.40000111.6F63 D170 I172 Y177 E178 I253 V363 L367F63-V174 HydrophobicContact CE1-CG1 4.31Å; F63-V174 HydrophobicContact CE1-CG2 4.23Å; D170-V174 WeakPolarHBondContact O-CG2 3.31Å; D170-V174 PolarHBondContact O-N 2.94Å; D170-V174 VanDerWaalsContact O-N 3.12Å; I172-V174 VanDerWaalsContact C-N 3.34Å; I172-V174 PolarHBondContact O-N 3.49Å; V174-Y177 WeakPolarHBondContact O-CB 3.39Å; V174-Y177 PolarHBondContact O-N 3.4Å; V174-E178 WeakPolarHBondContact O-CG 3.43Å; V174-E178 PolarHBondContact O-N 3.39Å; V174-I253 HydrophobicContact CB-CD1 3.81Å; V174-I253 HydrophobicContact CG1-CD1 3.82Å; V174-I253 HydrophobicContact CG2-CD1 3.59Å; V174-V363 HydrophobicContact CG2-CG1 4.25Å; V174-L367 HydrophobicContact CG2-CD1 4.18Å; V174-L367 HydrophobicContact CG2-CD2 4.37Å
175V94.7Very high90.8Very high0 Ų021 Ų210%013%0.128CC..Hα-helixtrans-64.7-43.8175.1175.80000111.6A171 I172 T173 Y177 E178 I179 F201 V204 I254A171-V175 WeakPolarHBondContact O-CG2 3.18Å; A171-V175 PolarHBondContact O-N 3.04Å; I172-V175 PolarHBondContact O-N 3.09Å; T173-V175 VanDerWaalsContact C-N 3.35Å; T173-V175 PolarHBondContact O-N 3.45Å; V175-Y177 VanDerWaalsContact C-N 3.29Å; V175-Y177 PolarHBondContact O-N 3.33Å; V175-E178 PolarHBondContact O-N 3.18Å; V175-I179 HydrophobicContact CG1-CD1 3.94Å; V175-I179 WeakPolarHBondContact O-CD1 3.27Å; V175-I179 VanDerWaalsContact O-CG1 3.28Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 3.36Å; V175-I179 VanDerWaalsContact O-N 3.13Å; V175-F201 HydrophobicContact CG1-CD2 3.73Å; V175-F201 HydrophobicContact CG1-CE2 4.11Å; V175-V204 HydrophobicContact CG1-CB 4.36Å; V175-V204 HydrophobicContact CG1-CG1 4.06Å; V175-V204 HydrophobicContact CG2-CG1 4.03Å; V175-I254 HydrophobicContact CG2-CD1 3.82Å
176L95.6Very high90.1Very high12 Ų1226 Ų266%0.06315%0.15CC..Hα-helixtrans-62-40.1176.3-71173.2000111.2F102 I172 T173 I179 M180 F201F102-L176 HydrophobicContact CB-CD1 4.01Å; F102-L176 HydrophobicContact CD1-CD1 4.24Å; F102-L176 HydrophobicContact CD1-CD2 4.19Å; F102-L176 HydrophobicContact CE1-CD2 4.3Å; F102-L176 HydrophobicContact CG-CD1 4.08Å; I172-L176 HydrophobicContact CG2-CD1 4.11Å; I172-L176 HydrophobicContact CG2-CG 4.36Å; I172-L176 WeakPolarHBondContact O-CG 2.8Å; I172-L176 PolarHBondContact O-N 3.15Å; T173-L176 PolarHBondContact O-N 3.4Å; L176-I179 PolarHBondContact O-N 3.34Å; L176-M180 WeakPolarHBondContact O-CB 3.5Å; L176-M180 WeakPolarHBondContact O-CG 3.45Å; L176-M180 PolarHBondContact O-N 2.95Å; L176-F201 HydrophobicContact CD2-CD2 3.94Å; L176-F201 HydrophobicContact CD2-CE2 3.94Å; L176-F201 HydrophobicContact CG-CE2 4.19Å
177Y93.8Very high89.2Confident5 Ų533.1 Ų33.12%0.0219%0.187CC..Hα-helixtrans-61.5-48.5176.2171.1-92.2000112.5L132 S135 L136 T173 V174 V175 I179 M180 I181 L367 L370 I371L132-Y177 HydrophobicContact CD1-CD2 3.76Å; L132-Y177 HydrophobicContact CD1-CE2 3.93Å; S135-Y177 WeakPolarHBondContact OG-CA 3.48Å; L136-Y177 HydrophobicContact CB-CD2 4.42Å; T173-Y177 WeakPolarHBondContact O-CB 3.28Å; T173-Y177 PolarHBondContact O-N 3.49Å; V174-Y177 WeakPolarHBondContact O-CB 3.39Å; V174-Y177 PolarHBondContact O-N 3.4Å; V175-Y177 VanDerWaalsContact C-N 3.29Å; V175-Y177 PolarHBondContact O-N 3.33Å; Y177-I179 VanDerWaalsContact C-N 3.29Å; Y177-I179 PolarHBondContact O-N 3.38Å; Y177-M180 PolarHBondContact O-N 3.03Å; Y177-I181 HydrophobicContact CD1-CD1 4.14Å; Y177-I181 HydrophobicContact CD1-CG1 4.45Å; Y177-I181 HydrophobicContact CE1-CD1 3.32Å; Y177-I181 HydrophobicContact CE1-CG1 4.08Å; Y177-I181 HydrophobicContact CE2-CD1 3.9Å; Y177-I181 HydrophobicContact CE2-CG1 4.23Å; Y177-I181 PolarHBondContact O-N 3.37Å; Y177-I181 VanDerWaalsContact OH-CD1 3.25Å; Y177-I181 WeakPolarHBondContact OH-CD1 3.23Å; Y177-L367 HydrophobicContact CD1-CD2 3.55Å; Y177-L367 HydrophobicContact CD2-CB 4.01Å; Y177-L367 HydrophobicContact CD2-CD1 4.39Å; Y177-L367 HydrophobicContact CD2-CD2 4.05Å; Y177-L367 HydrophobicContact CD2-CG 4.39Å; Y177-L367 HydrophobicContact CE1-CD2 3.68Å; Y177-L367 HydrophobicContact CE2-CB 3.91Å; Y177-L367 HydrophobicContact CE2-CD2 4.16Å; Y177-L367 VanDerWaalsContact CE2-O 3.32Å; Y177-L367 WeakPolarHBondContact CE2-O 3.3Å; Y177-L367 HydrophobicContact CG-CB 4.49Å; Y177-L367 HydrophobicContact CG-CD1 4.25Å; Y177-L367 HydrophobicContact CG-CD2 3.71Å; Y177-L367 HydrophobicContact CG-CG 4.39Å; Y177-L367 PolarHBondContact OH-O 3.22Å; Y177-L370 HydrophobicContact CE1-CD2 3.83Å; Y177-L370 HydrophobicContact CE1-CG 4.28Å; Y177-L370 WeakPolarHBondContact OH-CB 3.42Å; Y177-L370 VanDerWaalsContact OH-CG 3.25Å; Y177-L370 WeakPolarHBondContact OH-CG 3.46Å; Y177-I371 HydrophobicContact CE2-CG1 4.01Å; Y177-I371 PolarHBondContact OH-N 3.19Å
178E91.4Very high88.5Confident86 Ų8639.1 Ų39.140%0.40222%0.219SC..Hα-helixtrans-59.5-42178.1-74.3176.6177.300111.7V174 V175 M180 A182V174-E178 WeakPolarHBondContact O-CG 3.43Å; V174-E178 PolarHBondContact O-N 3.39Å; V175-E178 PolarHBondContact O-N 3.18Å; E178-M180 VanDerWaalsContact C-N 3.33Å; E178-M180 PolarHBondContact O-N 2.94Å; E178-A182 PolarHBondContact O-N 3.28Å; E178-A182 VanDerWaalsContact O-N 3.14Å
179I92.9Very high87.8Confident23 Ų2340.5 Ų40.512%0.11823%0.226CC..Hα-helixtrans-62.9-42.9175-67.1166.2000110.5V175 L176 Y177 A182 F183 F201V175-I179 HydrophobicContact CG1-CD1 3.94Å; V175-I179 WeakPolarHBondContact O-CD1 3.27Å; V175-I179 VanDerWaalsContact O-CG1 3.28Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 3.36Å; V175-I179 VanDerWaalsContact O-N 3.13Å; L176-I179 PolarHBondContact O-N 3.34Å; Y177-I179 VanDerWaalsContact C-N 3.29Å; Y177-I179 PolarHBondContact O-N 3.38Å; I179-A182 PolarHBondContact O-N 3.48Å; I179-F183 HydrophobicContact CG2-CD2 3.83Å; I179-F183 HydrophobicContact CG2-CE2 3.43Å; I179-F183 VanDerWaalsContact CG2-CE2 3.43Å; I179-F183 HydrophobicContact CG2-CZ 4.47Å; I179-F183 WeakPolarHBondContact O-CD2 3.39Å; I179-F183 PolarHBondContact O-N 3.11Å; I179-F201 HydrophobicContact CD1-CB 3.65Å; I179-F201 HydrophobicContact CD1-CD2 4.01Å; I179-F201 HydrophobicContact CD1-CG 4.35Å
180M92.7Very high87.5Confident12 Ų1244.2 Ų44.26%0.05925%0.249CC..Hα-helixtrans-71.7-34.2-178.2-73.6-43.3-42.800113.7F102 L131 L132 L176 Y177 E178 A182 F183 T184F102-M180 HydrophobicContact CE2-CG 3.81Å; F102-M180 HydrophobicContact CE2-SD 4.2Å; F102-M180 HydrophobicContact CZ-CG 3.86Å; F102-M180 HydrophobicContact CZ-SD 3.7Å; L131-M180 HydrophobicContact CB-CE 3.71Å; L131-M180 HydrophobicContact CB-CG 4.44Å; L131-M180 HydrophobicContact CB-SD 4.06Å; L131-M180 HydrophobicContact CD1-CE 4.26Å; L132-M180 HydrophobicContact CB-CB 4.25Å; L132-M180 HydrophobicContact CD1-CB 3.79Å; L176-M180 WeakPolarHBondContact O-CB 3.5Å; L176-M180 WeakPolarHBondContact O-CG 3.45Å; L176-M180 PolarHBondContact O-N 2.95Å; Y177-M180 PolarHBondContact O-N 3.03Å; E178-M180 VanDerWaalsContact C-N 3.33Å; E178-M180 PolarHBondContact O-N 2.94Å; M180-A182 VanDerWaalsContact C-N 3.29Å; M180-A182 PolarHBondContact O-N 2.97Å; M180-F183 HydrophobicContact CE-CB 3.89Å; M180-F183 HydrophobicContact CE-CD2 4.06Å; M180-F183 HydrophobicContact CE-CG 4.44Å; M180-F183 PolarHBondContact O-N 3.23Å; M180-F183 HydrophobicContact SD-CD2 4.06Å; M180-T184 WeakPolarHBondContact O-CB 3.4Å; M180-T184 PolarHBondContact O-N 3.41Å; M180-T184 PolarHBondContact O-OG1 2.86Å
181I90Very high87.2Confident47 Ų4745.1 Ų45.124%0.24127%0.266CS..Hα-helixtrans-59.9-43.9169.4-76.2-163.8000110.3L132 Y177 F183 T184 I375L132-I181 HydrophobicContact CD1-CG1 3.63Å; L132-I181 HydrophobicContact CD2-CG1 4.48Å; Y177-I181 HydrophobicContact CD1-CD1 4.14Å; Y177-I181 HydrophobicContact CD1-CG1 4.45Å; Y177-I181 HydrophobicContact CE1-CD1 3.32Å; Y177-I181 HydrophobicContact CE1-CG1 4.08Å; Y177-I181 HydrophobicContact CE2-CD1 3.9Å; Y177-I181 HydrophobicContact CE2-CG1 4.23Å; Y177-I181 PolarHBondContact O-N 3.37Å; Y177-I181 VanDerWaalsContact OH-CD1 3.25Å; Y177-I181 WeakPolarHBondContact OH-CD1 3.23Å; I181-F183 PolarHBondContact O-N 3.5Å; I181-F183 VanDerWaalsContact O-N 3.13Å; I181-T184 PolarHBondContact O-N 3.26Å; I181-T184 VanDerWaalsContact O-N 3.1Å; I181-I375 HydrophobicContact CG1-CD1 4.49Å; I181-I375 HydrophobicContact CG2-CD1 4.33Å
182A87.4Confident86.9Confident57 Ų5749.7 Ų49.747%0.47129%0.294SS..Hα-helixtrans-65.2-17.2179.300000114.2E178 I179 M180 K186E178-A182 PolarHBondContact O-N 3.28Å; E178-A182 VanDerWaalsContact O-N 3.14Å; I179-A182 PolarHBondContact O-N 3.48Å; M180-A182 VanDerWaalsContact C-N 3.29Å; M180-A182 PolarHBondContact O-N 2.97Å; A182-K186 WeakPolarHBondContact O-CE 3.19Å; A182-K186 PolarHBondContact O-NZ 3.4Å
183F86.5Confident86.5Confident26 Ų2651.7 Ų51.711%0.11430%0.303CS..Hα-helixtrans-95.1-26.8172.6-72.9-53.6000113.6I179 M180 I181 K186 I189 Q193I179-F183 HydrophobicContact CG2-CD2 3.83Å; I179-F183 HydrophobicContact CG2-CE2 3.43Å; I179-F183 VanDerWaalsContact CG2-CE2 3.43Å; I179-F183 HydrophobicContact CG2-CZ 4.47Å; I179-F183 WeakPolarHBondContact O-CD2 3.39Å; I179-F183 PolarHBondContact O-N 3.11Å; M180-F183 HydrophobicContact CE-CB 3.89Å; M180-F183 HydrophobicContact CE-CD2 4.06Å; M180-F183 HydrophobicContact CE-CG 4.44Å; M180-F183 PolarHBondContact O-N 3.23Å; M180-F183 HydrophobicContact SD-CD2 4.06Å; I181-F183 PolarHBondContact O-N 3.5Å; I181-F183 VanDerWaalsContact O-N 3.13Å; F183-K186 PolarHBondContact O-N 2.92Å; F183-I189 HydrophobicContact CB-CD1 4.18Å; F183-I189 HydrophobicContact CD1-CD1 4.4Å; F183-I189 HydrophobicContact CD1-CG2 4.29Å; F183-I189 HydrophobicContact CE1-CG2 4.35Å; F183-Q193 HydrophobicContact CE1-CB 4.09Å; F183-Q193 WeakPolarHBondContact CZ-O 3.46Å
184T81.4Confident86.3Confident8 Ų855.9 Ų55.95%0.04933%0.325CS..THydrogen-bonded Turntrans-75.3126.6-178.8-56.10000109L132 M180 I181 I375L132-T184 HydrophobicContact CD2-CG2 4.31Å; M180-T184 WeakPolarHBondContact O-CB 3.4Å; M180-T184 PolarHBondContact O-N 3.41Å; M180-T184 PolarHBondContact O-OG1 2.86Å; I181-T184 PolarHBondContact O-N 3.26Å; I181-T184 VanDerWaalsContact O-N 3.1Å; T184-I375 HydrophobicContact CG2-CB 4.23Å; T184-I375 HydrophobicContact CG2-CD1 3.9Å; T184-I375 HydrophobicContact CG2-CG1 3.93Å
185G73.2Confident86.3Confident52 Ų5257.4 Ų57.454%0.53634%0.342SS..THydrogen-bonded Turntrans94.51.6-173.300000115.6
186K76.9Confident86.1Confident108 Ų10862.6 Ų62.647%0.4737%0.368SS..  trans-95.7123.4168.8-75.1177178.41490110.8A182 F183 N188A182-K186 WeakPolarHBondContact O-CE 3.19Å; A182-K186 PolarHBondContact O-NZ 3.4Å; F183-K186 PolarHBondContact O-N 2.92Å; K186-N188 PolarHBondContact O-N 3.16Å
187D71Confident85.9Confident159 Ų15962.4 Ų62.485%0.8537%0.369SS*.SBendtrans-62.9-38.5-175.5-60.8-32.8000113.9
188N76.7Confident85.9Confident134 Ų13467 Ų6772%0.71739%0.393SS*.  trans-132109.4-177.7-74.1-49.3000111.2K186 T190 Q193K186-N188 PolarHBondContact O-N 3.16Å; N188-T190 PolarHBondContact O-N 3.4Å; N188-Q193 PolarHBondContact O-NE2 3.29Å
189I77.5Confident86Confident70 Ų7065.3 Ų65.336%0.35939%0.394SS..  trans-90.397.9175.3-56.4172.1000108.9F183 Q193 I194F183-I189 HydrophobicContact CB-CD1 4.18Å; F183-I189 HydrophobicContact CD1-CD1 4.4Å; F183-I189 HydrophobicContact CD1-CG2 4.29Å; F183-I189 HydrophobicContact CE1-CG2 4.35Å; I189-Q193 HydrophobicContact CG2-CB 4.28Å; I189-I194 HydrophobicContact CG2-CD1 4.3Å; I189-I194 HydrophobicContact CG2-CG1 3.71Å
190T85.9Confident86Confident78 Ų7866.3 Ų66.348%0.47940%0.403SS..  trans-71.5150.9173.9-51.10000110.8N188 T192 Q193 I194N188-T190 PolarHBondContact O-N 3.4Å; T190-T192 HydrophobicContact CG2-CG2 4.48Å; T190-T192 WeakPolarHBondContact CG2-OG1 3.22Å; T190-T192 PolarHBondContact O-N 3.17Å; T190-Q193 WeakPolarHBondContact O-CA 3.36Å; T190-Q193 WeakPolarHBondContact O-CB 3.14Å; T190-Q193 PolarHBondContact O-N 2.93Å; T190-I194 PolarHBondContact O-N 3.45Å
191G86.8Confident86.1Confident53 Ų5366.5 Ų66.555%0.54640%0.403SS..Hα-helixtrans-54.9-26.7176.400000114.6I194 G195G191-I194 PolarHBondContact O-N 3.37Å; G191-G195 PolarHBondContact O-N 3.13Å
192T87.9Confident86.3Confident97 Ų9769.1 Ų69.160%0.59541%0.413SS*.Hα-helixtrans-63.7-39.3171.552.50000112.5T190 G195 I196T190-T192 HydrophobicContact CG2-CG2 4.48Å; T190-T192 WeakPolarHBondContact CG2-OG1 3.22Å; T190-T192 PolarHBondContact O-N 3.17Å; T192-G195 PolarHBondContact O-N 3.41Å; T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 2.97Å
193Q87.8Confident86.7Confident53 Ų5370.2 Ų70.225%0.24841%0.414CS..Hα-helixtrans-69-37177.8-58.9-179.43.900111.3F183 N188 I189 T190 G195 I196 G197F183-Q193 HydrophobicContact CE1-CB 4.09Å; F183-Q193 WeakPolarHBondContact CZ-O 3.46Å; N188-Q193 PolarHBondContact O-NE2 3.29Å; I189-Q193 HydrophobicContact CG2-CB 4.28Å; T190-Q193 WeakPolarHBondContact O-CA 3.36Å; T190-Q193 WeakPolarHBondContact O-CB 3.14Å; T190-Q193 PolarHBondContact O-N 2.93Å; Q193-G195 VanDerWaalsContact C-N 3.33Å; Q193-I196 WeakPolarHBondContact O-CB 3.4Å; Q193-I196 PolarHBondContact O-N 3.18Å; Q193-G197 PolarHBondContact O-N 3.39Å
194I89.7Confident87.2Confident88 Ų8870 Ų7045%0.45142%0.415SS..Hα-helixtrans-61.7-44.4173.1-57.3176000109.9I189 T190 G191 I196 G197 I198I189-I194 HydrophobicContact CG2-CD1 4.3Å; I189-I194 HydrophobicContact CG2-CG1 3.71Å; T190-I194 PolarHBondContact O-N 3.45Å; G191-I194 PolarHBondContact O-N 3.37Å; I194-I196 VanDerWaalsContact C-N 3.31Å; I194-I196 PolarHBondContact O-N 3.47Å; I194-G197 PolarHBondContact O-N 2.87Å; I194-G197 VanDerWaalsContact O-N 3.11Å; I194-I198 HydrophobicContact CG2-CD1 4.18Å; I194-I198 WeakPolarHBondContact O-CG1 3.14Å; I194-I198 PolarHBondContact O-N 3.41Å
195G91.6Very high87.8Confident38 Ų3870.3 Ų70.339%0.39242%0.418SS..Hα-helixtrans-58.2-41.6173.600000112.9G191 T192 Q193 I198 A199G191-G195 PolarHBondContact O-N 3.13Å; T192-G195 PolarHBondContact O-N 3.41Å; Q193-G195 VanDerWaalsContact C-N 3.33Å; G195-I198 PolarHBondContact O-N 3.03Å; G195-A199 WeakPolarHBondContact O-CB 3.21Å; G195-A199 PolarHBondContact O-N 3.45Å
196I91Very high88.9Confident108 Ų10874.1 Ų74.155%0.55442%0.42SS*.Hα-helixtrans-64.5-39.6173.9-66.7163.8000111.1T192 Q193 I194 A199 S200T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 2.97Å; Q193-I196 WeakPolarHBondContact O-CB 3.4Å; Q193-I196 PolarHBondContact O-N 3.18Å; I194-I196 VanDerWaalsContact C-N 3.31Å; I194-I196 PolarHBondContact O-N 3.47Å; I196-A199 PolarHBondContact O-N 2.93Å; I196-S200 VanDerWaalsContact O-CB 3.26Å; I196-S200 WeakPolarHBondContact O-CB 3.06Å; I196-S200 PolarHBondContact O-N 3.43Å; I196-S200 PolarHBondContact O-OG 2.94Å
197G91.4Very high89.8Confident8 Ų869.4 Ų69.48%0.08240%0.401CS..Hα-helixtrans-62-44.6175.600000112.7Q193 I194 S200 F201Q193-G197 PolarHBondContact O-N 3.39Å; I194-G197 PolarHBondContact O-N 2.87Å; I194-G197 VanDerWaalsContact O-N 3.11Å; G197-S200 WeakPolarHBondContact O-CB 3.28Å; G197-S200 PolarHBondContact O-N 3.09Å; G197-F201 PolarHBondContact O-N 3.34Å
198I93.2Very high91.1Very high101 Ų10161.8 Ų61.852%0.51836%0.361SS..Hα-helixtrans-63.9-44175.7-64.2166.5000110.7I194 G195 S200 F201 F202I194-I198 HydrophobicContact CG2-CD1 4.18Å; I194-I198 WeakPolarHBondContact O-CG1 3.14Å; I194-I198 PolarHBondContact O-N 3.41Å; G195-I198 PolarHBondContact O-N 3.03Å; I198-S200 VanDerWaalsContact C-N 3.29Å; I198-S200 PolarHBondContact O-N 3.39Å; I198-F201 WeakPolarHBondContact O-CB 3.41Å; I198-F201 PolarHBondContact O-N 3.47Å; I198-F202 HydrophobicContact CG2-CD2 4.39Å; I198-F202 HydrophobicContact CG2-CE2 4.1Å; I198-F202 VanDerWaalsContact O-CD2 3.32Å; I198-F202 WeakPolarHBondContact O-CD2 3.25Å; I198-F202 PolarHBondContact O-N 2.9Å
199A94.2Very high92.1Very high52 Ų5259.1 Ų59.143%0.4335%0.346SS..Hα-helixtrans-63.3-37.3175.200000111.8G195 I196 F202 T203G195-A199 WeakPolarHBondContact O-CB 3.21Å; G195-A199 PolarHBondContact O-N 3.45Å; I196-A199 PolarHBondContact O-N 2.93Å; A199-F202 PolarHBondContact O-N 3.08Å; A199-T203 WeakPolarHBondContact O-CB 3.21Å; A199-T203 PolarHBondContact O-N 3.4Å; A199-T203 PolarHBondContact O-OG1 2.96Å
200S93.2Very high93Very high43 Ų4361.9 Ų61.930%0.30136%0.356SS..Hα-helixtrans-65.2-40177.3-59.90000111.2I196 G197 I198 F202 T203 V204I196-S200 VanDerWaalsContact O-CB 3.26Å; I196-S200 WeakPolarHBondContact O-CB 3.06Å; I196-S200 PolarHBondContact O-N 3.43Å; I196-S200 PolarHBondContact O-OG 2.94Å; G197-S200 WeakPolarHBondContact O-CB 3.28Å; G197-S200 PolarHBondContact O-N 3.09Å; I198-S200 VanDerWaalsContact C-N 3.29Å; I198-S200 PolarHBondContact O-N 3.39Å; S200-F202 PolarHBondContact O-N 3.08Å; S200-T203 PolarHBondContact O-N 2.99Å; S200-V204 VanDerWaalsContact O-CB 3.3Å; S200-V204 WeakPolarHBondContact O-CB 3.24Å; S200-V204 VanDerWaalsContact O-CG2 3.26Å; S200-V204 WeakPolarHBondContact O-CG2 3.36Å; S200-V204 PolarHBondContact O-N 2.96Å
201F94.8Very high93.6Very high16 Ų1658.7 Ų58.77%0.0734%0.336CS..Hα-helixtrans-52.9-52174.3178.9-94.6000112.3V95 I99 I172 V175 L176 I179 G197 I198 S205V95-F201 HydrophobicContact CG1-CZ 4.47Å; I99-F201 HydrophobicContact CD1-CE1 4Å; I99-F201 HydrophobicContact CD1-CZ 3.84Å; I99-F201 HydrophobicContact CG1-CZ 4.36Å; I172-F201 HydrophobicContact CG2-CE2 3.97Å; I172-F201 HydrophobicContact CG2-CZ 4.02Å; V175-F201 HydrophobicContact CG1-CD2 3.73Å; V175-F201 HydrophobicContact CG1-CE2 4.11Å; L176-F201 HydrophobicContact CD2-CD2 3.94Å; L176-F201 HydrophobicContact CD2-CE2 3.94Å; L176-F201 HydrophobicContact CG-CE2 4.19Å; I179-F201 HydrophobicContact CD1-CB 3.65Å; I179-F201 HydrophobicContact CD1-CD2 4.01Å; I179-F201 HydrophobicContact CD1-CG 4.35Å; G197-F201 PolarHBondContact O-N 3.34Å; I198-F201 WeakPolarHBondContact O-CB 3.41Å; I198-F201 PolarHBondContact O-N 3.47Å; F201-S205 WeakPolarHBondContact O-CB 3.22Å; F201-S205 PolarHBondContact O-N 3.08Å; F201-S205 PolarHBondContact O-OG 2.8Å
202F95.1Very high94.1Very high103 Ų10356.1 Ų56.145%0.45231%0.31SS..Hα-helixtrans-69.6-38179-69.8-68.4000112.1I198 A199 S200 F206I198-F202 HydrophobicContact CG2-CD2 4.39Å; I198-F202 HydrophobicContact CG2-CE2 4.1Å; I198-F202 VanDerWaalsContact O-CD2 3.32Å; I198-F202 WeakPolarHBondContact O-CD2 3.25Å; I198-F202 PolarHBondContact O-N 2.9Å; A199-F202 PolarHBondContact O-N 3.08Å; S200-F202 PolarHBondContact O-N 3.08Å; F202-F206 HydrophobicContact CB-CD2 4.09Å; F202-F206 HydrophobicContact CB-CE2 4.28Å; F202-F206 HydrophobicContact CD1-CD2 4.22Å; F202-F206 AromaticContact CD1-CE2 3.63Å; F202-F206 HydrophobicContact CD1-CE2 3.63Å; F202-F206 HydrophobicContact CE1-CE2 4.47Å; F202-F206 HydrophobicContact CG-CE2 4.39Å; F202-F206 VanDerWaalsContact O-CB 3.3Å; F202-F206 WeakPolarHBondContact O-CB 3.49Å; F202-F206 VanDerWaalsContact O-CD2 3.24Å; F202-F206 WeakPolarHBondContact O-CD2 3.46Å; F202-F206 PolarHBondContact O-N 3.41Å
203T95.4Very high94.5Very high80 Ų8053.7 Ų53.749%0.49129%0.294SS..Hα-helixtrans-66-46.9-179.7-56.20000111.7A199 S200 G207A199-T203 WeakPolarHBondContact O-CB 3.21Å; A199-T203 PolarHBondContact O-N 3.4Å; A199-T203 PolarHBondContact O-OG1 2.96Å; S200-T203 PolarHBondContact O-N 2.99Å; T203-G207 VanDerWaalsContact O-CA 3.29Å; T203-G207 WeakPolarHBondContact O-CA 3.32Å; T203-G207 PolarHBondContact O-N 3.44Å
204V95.5Very high95Very high20 Ų2055.4 Ų55.412%0.12131%0.305CS..Hα-helixtrans-66.6-40.8178.2171.10000110.9V175 S200 G208 S251V175-V204 HydrophobicContact CG1-CB 4.36Å; V175-V204 HydrophobicContact CG1-CG1 4.06Å; V175-V204 HydrophobicContact CG2-CG1 4.03Å; S200-V204 VanDerWaalsContact O-CB 3.3Å; S200-V204 WeakPolarHBondContact O-CB 3.24Å; S200-V204 VanDerWaalsContact O-CG2 3.26Å; S200-V204 WeakPolarHBondContact O-CG2 3.36Å; S200-V204 PolarHBondContact O-N 2.96Å; V204-G208 PolarHBondContact O-N 2.81Å; V204-S251 PolarHBondContact O-N 3.36Å
205S95.4Very high95.4Very high16 Ų1652.3 Ų52.311%0.11229%0.288CS..Hα-helixtrans-70.5-53-179.7-58.80000112.5F201 L209 I254F201-S205 WeakPolarHBondContact O-CB 3.22Å; F201-S205 PolarHBondContact O-N 3.08Å; F201-S205 PolarHBondContact O-OG 2.8Å; S205-L209 WeakPolarHBondContact O-CB 3.34Å; S205-L209 PolarHBondContact O-N 2.95Å; S205-I254 WeakPolarHBondContact O-CG2 3.44Å
206F95.8Very high95.6Very high132 Ų13250.5 Ų50.558%0.57927%0.269SS*.Hα-helixtrans-72.5-33.8179.6-71.9-59.4000112.4F202 L209 F210F202-F206 HydrophobicContact CB-CD2 4.09Å; F202-F206 HydrophobicContact CB-CE2 4.28Å; F202-F206 HydrophobicContact CD1-CD2 4.22Å; F202-F206 AromaticContact CD1-CE2 3.63Å; F202-F206 HydrophobicContact CD1-CE2 3.63Å; F202-F206 HydrophobicContact CE1-CE2 4.47Å; F202-F206 HydrophobicContact CG-CE2 4.39Å; F202-F206 VanDerWaalsContact O-CB 3.3Å; F202-F206 WeakPolarHBondContact O-CB 3.49Å; F202-F206 VanDerWaalsContact O-CD2 3.24Å; F202-F206 WeakPolarHBondContact O-CD2 3.46Å; F202-F206 PolarHBondContact O-N 3.41Å; F206-L209 PolarHBondContact O-N 3.09Å; F206-F210 VanDerWaalsContact O-CB 3.3Å; F206-F210 WeakPolarHBondContact O-CB 3.47Å; F206-F210 PolarHBondContact O-N 3.49Å
207G97Very high95.8Very high8 Ų848.3 Ų48.38%0.08226%0.258CS..Hα-helixtrans-61.7-48.1172.600000111.7T203 L209 F210 I211T203-G207 VanDerWaalsContact O-CA 3.29Å; T203-G207 WeakPolarHBondContact O-CA 3.32Å; T203-G207 PolarHBondContact O-N 3.44Å; G207-L209 PolarHBondContact O-N 3.15Å; G207-F210 WeakPolarHBondContact O-CB 3.5Å; G207-F210 PolarHBondContact O-N 2.88Å; G207-I211 PolarHBondContact O-N 3.37Å; G207-I211 VanDerWaalsContact O-N 3.08Å
208G97.6Very high95.9Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-57.6-49.9173.700000111.6V204 F210 I211 G212 S255V204-G208 PolarHBondContact O-N 2.81Å; G208-F210 VanDerWaalsContact C-N 3.3Å; G208-F210 PolarHBondContact O-N 3.43Å; G208-I211 PolarHBondContact O-N 3.11Å; G208-G212 PolarHBondContact O-N 3.43Å; G208-S255 WeakPolarHBondContact O-CA 3.2Å; G208-S255 WeakPolarHBondContact O-CB 3.4Å
209L96.9Very high96Very high78 Ų7846.4 Ų46.441%0.40825%0.247SC..Hα-helixtrans-58-40.9177.2-172.8144.6000112.4S205 F206 G207 G212 V213 I254S205-L209 WeakPolarHBondContact O-CB 3.34Å; S205-L209 PolarHBondContact O-N 2.95Å; F206-L209 PolarHBondContact O-N 3.09Å; G207-L209 PolarHBondContact O-N 3.15Å; L209-G212 PolarHBondContact O-N 3.05Å; L209-V213 HydrophobicContact CD2-CG2 3.97Å; L209-V213 HydrophobicContact CG-CG2 4.5Å; L209-V213 WeakPolarHBondContact O-CG2 3.28Å; L209-V213 PolarHBondContact O-N 3.43Å; L209-I254 HydrophobicContact CB-CG2 3.82Å
210F97.5Very high95.9Very high127 Ų12744 Ų4456%0.55723%0.226SC*.Hα-helixtrans-62-47.8178.2175.9-100.5000112F206 G207 G208 G212 V213 L214F206-F210 VanDerWaalsContact O-CB 3.3Å; F206-F210 WeakPolarHBondContact O-CB 3.47Å; F206-F210 PolarHBondContact O-N 3.49Å; G207-F210 WeakPolarHBondContact O-CB 3.5Å; G207-F210 PolarHBondContact O-N 2.88Å; G208-F210 VanDerWaalsContact C-N 3.3Å; G208-F210 PolarHBondContact O-N 3.43Å; F210-G212 VanDerWaalsContact C-N 3.3Å; F210-G212 PolarHBondContact O-N 2.78Å; F210-V213 PolarHBondContact O-N 3.21Å; F210-L214 WeakPolarHBondContact O-CB 3.28Å; F210-L214 PolarHBondContact O-N 3.44Å
211I97.8Very high95.8Very high11 Ų1145.4 Ų45.46%0.05623%0.231CC..Hα-helixtrans-59.7-44.3174.9-68.1179.3000110.2G207 G208 V213 L214 F215 M244 A245 V248 W250G207-I211 PolarHBondContact O-N 3.37Å; G207-I211 VanDerWaalsContact O-N 3.08Å; G208-I211 PolarHBondContact O-N 3.11Å; I211-V213 PolarHBondContact O-N 2.99Å; I211-L214 WeakPolarHBondContact O-CB 3.35Å; I211-L214 PolarHBondContact O-N 3.07Å; I211-F215 HydrophobicContact CG2-CD2 3.68Å; I211-F215 HydrophobicContact CG2-CE2 3.83Å; I211-F215 WeakPolarHBondContact O-CD2 3.32Å; I211-F215 PolarHBondContact O-N 3.5Å; I211-M244 HydrophobicContact CG2-CB 4.34Å; I211-M244 HydrophobicContact CG2-CG 4.37Å; I211-A245 HydrophobicContact CB-CB 4.41Å; I211-A245 HydrophobicContact CD1-CB 4.03Å; I211-A245 HydrophobicContact CG2-CB 4.18Å; I211-V248 HydrophobicContact CD1-CB 4.16Å; I211-V248 HydrophobicContact CD1-CG1 4.42Å; I211-V248 HydrophobicContact CD1-CG2 4.04Å; I211-W250 HydrophobicContact CD1-CD2 4.41Å; I211-W250 HydrophobicContact CD1-CE3 3.33Å; I211-W250 HydrophobicContact CD1-CZ3 3.7Å; I211-W250 HydrophobicContact CG1-CE3 3.8Å; I211-W250 HydrophobicContact CG1-CZ3 3.83Å
212G97.8Very high95.6Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-56.4-50.5176.800000112.9G208 L209 F210 L214 F215 G216 S255 C259G208-G212 PolarHBondContact O-N 3.43Å; L209-G212 PolarHBondContact O-N 3.05Å; F210-G212 VanDerWaalsContact C-N 3.3Å; F210-G212 PolarHBondContact O-N 2.78Å; G212-L214 VanDerWaalsContact C-N 3.35Å; G212-L214 PolarHBondContact O-N 2.84Å; G212-F215 PolarHBondContact O-N 3.02Å; G212-G216 PolarHBondContact O-N 2.84Å; G212-S255 WeakPolarHBondContact CA-O 3.44Å; G212-S255 WeakPolarHBondContact CA-OG 3.22Å; G212-S255 PolarHBondContact N-OG 3.44Å; G212-C259 VanDerWaalsContact O-CA 3.22Å; G212-C259 WeakPolarHBondContact O-CA 3.31Å; G212-C259 WeakPolarHBondContact O-CB 3.31Å; G212-C259 PolarHBondContact O-N 2.93Å
213V96.8Very high95.4Very high45 Ų4543.4 Ų43.427%0.27323%0.225SC..Hα-helixtrans-62.9-41.3177.9171.20000111.4L209 F210 I211 G216 I217 I262L209-V213 HydrophobicContact CD2-CG2 3.97Å; L209-V213 HydrophobicContact CG-CG2 4.5Å; L209-V213 WeakPolarHBondContact O-CG2 3.28Å; L209-V213 PolarHBondContact O-N 3.43Å; F210-V213 PolarHBondContact O-N 3.21Å; I211-V213 PolarHBondContact O-N 2.99Å; V213-G216 PolarHBondContact O-N 3.36Å; V213-I217 HydrophobicContact CG1-CD1 3.84Å; V213-I217 HydrophobicContact CG1-CG1 4.46Å; V213-I217 WeakPolarHBondContact O-CB 3.33Å; V213-I217 VanDerWaalsContact O-CG1 3.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.46Å; V213-I217 PolarHBondContact O-N 3.01Å; V213-I262 HydrophobicContact CG1-CG1 4.44Å; V213-I262 HydrophobicContact CG2-CG1 4.19Å
214L97.3Very high94.9Very high90 Ų9045 Ų4547%0.47122%0.222SC..Hα-helixtrans-58.8-50.2177.6-176.673.1000111.5F210 I211 G212 I217 L218F210-L214 WeakPolarHBondContact O-CB 3.28Å; F210-L214 PolarHBondContact O-N 3.44Å; I211-L214 WeakPolarHBondContact O-CB 3.35Å; I211-L214 PolarHBondContact O-N 3.07Å; G212-L214 VanDerWaalsContact C-N 3.35Å; G212-L214 PolarHBondContact O-N 2.84Å; L214-I217 PolarHBondContact O-N 3.3Å; L214-L218 WeakPolarHBondContact O-CB 3.06Å; L214-L218 PolarHBondContact O-N 3.24Å
215F97.5Very high94.3Very high23 Ų2350.4 Ų50.410%0.10125%0.248CC..Hα-helixtrans-72.3-29.8178.4-79.7-72.7000113.1I211 G212 L218 T219 L237 F240 M244I211-F215 HydrophobicContact CG2-CD2 3.68Å; I211-F215 HydrophobicContact CG2-CE2 3.83Å; I211-F215 WeakPolarHBondContact O-CD2 3.32Å; I211-F215 PolarHBondContact O-N 3.5Å; G212-F215 PolarHBondContact O-N 3.02Å; F215-L218 HydrophobicContact CD1-CD2 3.91Å; F215-L218 HydrophobicContact CE1-CD2 3.96Å; F215-L218 PolarHBondContact O-N 2.74Å; F215-T219 WeakPolarHBondContact O-CB 3.37Å; F215-T219 PolarHBondContact O-N 3.43Å; F215-T219 PolarHBondContact O-OG1 2.98Å; F215-L237 HydrophobicContact CD1-CD2 4.23Å; F215-F240 AromaticContact CD1-CD1 3.85Å; F215-F240 HydrophobicContact CD1-CD1 3.85Å; F215-F240 HydrophobicContact CD1-CE1 4.35Å; F215-F240 AromaticContact CE1-CD1 3.31Å; F215-F240 HydrophobicContact CE1-CD1 3.31Å; F215-F240 AromaticContact CE1-CE1 3.36Å; F215-F240 HydrophobicContact CE1-CE1 3.36Å; F215-F240 HydrophobicContact CE2-CD1 4.42Å; F215-F240 HydrophobicContact CE2-CE1 4.43Å; F215-F240 AromaticContact CZ-CD1 3.64Å; F215-F240 HydrophobicContact CZ-CD1 3.64Å; F215-F240 AromaticContact CZ-CE1 3.42Å; F215-F240 HydrophobicContact CZ-CE1 3.42Å; F215-F240 VanDerWaalsContact CZ-CE1 3.42Å; F215-M244 HydrophobicContact CE2-CB 4.01Å; F215-M244 HydrophobicContact CE2-CG 3.83Å; F215-M244 HydrophobicContact CZ-CB 4.45Å; F215-M244 HydrophobicContact CZ-CG 4.19Å
216G96.1Very high93.5Very high0 Ų058.3 Ų58.30%028%0.276CS..Hα-helixtrans-60-47.5169.100000111.5G212 V213 T219 C220 I262G212-G216 PolarHBondContact O-N 2.84Å; V213-G216 PolarHBondContact O-N 3.36Å; G216-T219 WeakPolarHBondContact O-CB 3.3Å; G216-T219 PolarHBondContact O-N 3.27Å; G216-C220 PolarHBondContact O-N 3.25Å; G216-C220 PolarHBondContact O-SG 2.92Å; G216-I262 VanDerWaalsContact C-CG2 3.44Å
217I94.8Very high92.7Very high62 Ų6254.7 Ų54.732%0.31827%0.267SS..Hα-helixtrans-62.8-45.5175.4-71.9166.8000110.8V213 L214 T219 C220 L221 I262 L469V213-I217 HydrophobicContact CG1-CD1 3.84Å; V213-I217 HydrophobicContact CG1-CG1 4.46Å; V213-I217 WeakPolarHBondContact O-CB 3.33Å; V213-I217 VanDerWaalsContact O-CG1 3.32Å; V213-I217 WeakPolarHBondContact O-CG1 3.46Å; V213-I217 PolarHBondContact O-N 3.01Å; L214-I217 PolarHBondContact O-N 3.3Å; I217-T219 VanDerWaalsContact C-N 3.27Å; I217-T219 PolarHBondContact O-N 3.27Å; I217-C220 WeakPolarHBondContact O-CB 3.27Å; I217-C220 PolarHBondContact O-N 2.85Å; I217-L221 HydrophobicContact CG2-CD1 4.27Å; I217-L221 WeakPolarHBondContact O-CG 3.5Å; I217-L221 PolarHBondContact O-N 3.37Å; I217-I262 HydrophobicContact CG1-CG2 4.35Å; I217-L469 HydrophobicContact CB-CD2 4.47Å; I217-L469 HydrophobicContact CG1-CD2 4.46Å; I217-L469 HydrophobicContact CG2-CD2 3.84Å
218L94.7Very high92Very high69 Ų6963.6 Ų63.636%0.36131%0.306SS..Hα-helixtrans-59-41.1177.2-173.263.1000111.4L214 F215 C220 L221 I222 L237L214-L218 WeakPolarHBondContact O-CB 3.06Å; L214-L218 PolarHBondContact O-N 3.24Å; F215-L218 HydrophobicContact CD1-CD2 3.91Å; F215-L218 HydrophobicContact CE1-CD2 3.96Å; F215-L218 PolarHBondContact O-N 2.74Å; L218-C220 VanDerWaalsContact C-N 3.32Å; L218-C220 PolarHBondContact O-N 3.3Å; L218-L221 PolarHBondContact O-N 3.27Å; L218-I222 HydrophobicContact CD1-CD1 4.21Å; L218-I222 HydrophobicContact CD2-CD1 4.48Å; L218-I222 HydrophobicContact CG-CD1 3.85Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 2.94Å; L218-L237 HydrophobicContact CD2-CD2 4.41Å
219T94.6Very high91.7Very high0 Ų068.8 Ų68.80%033%0.333CS..Hα-helixtrans-58.7-45.1173.6-53.10000111F215 G216 I217 L221 I222 T223 I234 L237 Q263 A267F215-T219 WeakPolarHBondContact O-CB 3.37Å; F215-T219 PolarHBondContact O-N 3.43Å; F215-T219 PolarHBondContact O-OG1 2.98Å; G216-T219 WeakPolarHBondContact O-CB 3.3Å; G216-T219 PolarHBondContact O-N 3.27Å; I217-T219 VanDerWaalsContact C-N 3.27Å; I217-T219 PolarHBondContact O-N 3.27Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 3.24Å; T219-I222 PolarHBondContact O-N 3.15Å; T219-T223 WeakPolarHBondContact O-CB 3.33Å; T219-T223 PolarHBondContact O-N 2.96Å; T219-T223 PolarHBondContact O-OG1 3.48Å; T219-I234 HydrophobicContact CG2-CB 4.43Å; T219-I234 HydrophobicContact CG2-CG1 3.94Å; T219-L237 HydrophobicContact CG2-CD1 4.06Å; T219-L237 WeakPolarHBondContact OG1-CB 3.46Å; T219-L237 WeakPolarHBondContact OG1-CD1 3.41Å; T219-Q263 HydrophobicContact CG2-CG 3.95Å; T219-Q263 PolarHBondContact OG1-NE2 2.79Å; T219-Q263 VanDerWaalsContact OG1-NE2 3.1Å; T219-A267 HydrophobicContact CG2-CB 4.12Å
220C91.4Very high91.4Very high0 Ų065.6 Ų65.60%032%0.318CS..Hα-helixtrans-60.2-43.7178.9-60.60000111.7G216 I217 L218 R224 Y266 A267 N270 L469G216-C220 PolarHBondContact O-N 3.25Å; G216-C220 PolarHBondContact O-SG 2.92Å; I217-C220 WeakPolarHBondContact O-CB 3.27Å; I217-C220 PolarHBondContact O-N 2.85Å; L218-C220 VanDerWaalsContact C-N 3.32Å; L218-C220 PolarHBondContact O-N 3.3Å; C220-R224 PolarHBondContact O-N 3.42Å; C220-Y266 VanDerWaalsContact SG-CB 3.5Å; C220-A267 PolarHBondContact SG-N 2.99Å; C220-A267 VanDerWaalsContact SG-N 3.4Å; C220-N270 PolarHBondContact O-ND2 3.46Å; C220-L469 HydrophobicContact CB-CB 4.13Å; C220-L469 HydrophobicContact CB-CD2 4Å; C220-L469 HydrophobicContact CB-CG 4.5Å
221L91Very high91.1Very high74 Ų7461.3 Ų61.339%0.38730%0.302SS..Hα-helixtrans-65.8-42.8178.6-66.5176000112.4I217 L218 T219 R224 L469I217-L221 HydrophobicContact CG2-CD1 4.27Å; I217-L221 WeakPolarHBondContact O-CG 3.5Å; I217-L221 PolarHBondContact O-N 3.37Å; L218-L221 PolarHBondContact O-N 3.27Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 3.24Å; L221-R224 WeakPolarHBondContact O-CB 3.38Å; L221-R224 PolarHBondContact O-N 3.07Å; L221-L469 HydrophobicContact CD2-CD2 4.43Å
222I91.3Very high90.9Very high69 Ų6966.8 Ų66.835%0.35433%0.326SS..Hα-helixtrans-68.7-43.5178.7-65.8165.3000110.5L218 T219 R224 I225 T233 L237L218-I222 HydrophobicContact CD1-CD1 4.21Å; L218-I222 HydrophobicContact CD2-CD1 4.48Å; L218-I222 HydrophobicContact CG-CD1 3.85Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 2.94Å; T219-I222 PolarHBondContact O-N 3.15Å; I222-R224 PolarHBondContact O-N 3.35Å; I222-R224 VanDerWaalsContact O-N 3.1Å; I222-I225 PolarHBondContact O-N 2.67Å; I222-T233 HydrophobicContact CB-CG2 4.37Å; I222-T233 HydrophobicContact CG2-CG2 3.67Å; I222-L237 HydrophobicContact CD1-CD1 3.73Å
223T90.2Very high90.7Very high7 Ų768.1 Ų68.14%0.04333%0.334CS..Hα-helixtrans-64.7-16.5180-55.10000112.5T219 I225 N270 V271T219-T223 WeakPolarHBondContact O-CB 3.33Å; T219-T223 PolarHBondContact O-N 2.96Å; T219-T223 PolarHBondContact O-OG1 3.48Å; T223-I225 PolarHBondContact O-N 3.37Å; T223-N270 HydrophobicContact CG2-CB 3.76Å; T223-V271 HydrophobicContact CG2-CG1 3.21Å
224R85.2Confident90.6Very high114 Ų11466 Ų6643%0.4332%0.321SS..THydrogen-bonded Turntrans-59.7-32.2170.2-159.4179.7167167.1-9.8112.1C220 L221 I222 R226 N471C220-R224 PolarHBondContact O-N 3.42Å; L221-R224 WeakPolarHBondContact O-CB 3.38Å; L221-R224 PolarHBondContact O-N 3.07Å; I222-R224 PolarHBondContact O-N 3.35Å; I222-R224 VanDerWaalsContact O-N 3.1Å; R224-R226 PolarHBondContact O-N 3.18Å; R224-N471 WeakPolarHBondContact CD-OD1 3.33Å; R224-N471 HydrophobicContact CG-CB 4.45Å; R224-N471 WeakPolarHBondContact CG-ND2 3.25Å; R224-N471 WeakPolarHBondContact CG-OD1 3.45Å; R224-N471 PolarHBondContact NE-OD1 3.5Å; R224-N471 PolarHBondContact O-ND2 2.83Å
225I84.5Confident90.5Very high133 Ų13363 Ų6368%0.68231%0.305SS*.SBendtrans-83.1110.6173.4-56.3170.4000107I222 T223 S227I222-I225 PolarHBondContact O-N 2.67Å; T223-I225 PolarHBondContact O-N 3.37Å; I225-S227 PolarHBondContact O-N 3.49Å
226R76.8Confident90.4Very high182 Ų18266 Ų6669%0.68732%0.322SS*.  trans-62.2113-179.2-176.2173.6174.376.41.8109.6R224 D272R224-R226 PolarHBondContact O-N 3.18Å; R226-D272 IonicContact CZ-OD1 3.15Å; R226-D272 IonicContact CZ-OD2 2.66Å; R226-D272 IonicContact NH1-OD1 2.76Å; R226-D272 PolarHBondContact NH1-OD1 2.95Å; R226-D272 IonicContact NH1-OD2 3.36Å; R226-D272 PolarHBondContact NH1-OD2 2.81Å; R226-D272 IonicContact NH2-OD1 2.68Å; R226-D272 IonicContact NH2-OD2 2.99Å; R226-D272 PolarHBondContact NH2-OD2 2.87Å
227S79.9Confident90.5Very high57 Ų5766.9 Ų66.940%0.39933%0.327SS..  trans-130.3145.5179.1176.20000110.2I225 L229 A230I225-S227 PolarHBondContact O-N 3.49Å; S227-L229 PolarHBondContact O-N 3.2Å; S227-L229 PolarHBondContact OG-N 3.07Å; S227-L229 VanDerWaalsContact OG-N 3.11Å; S227-A230 WeakPolarHBondContact O-CB 3.19Å; S227-A230 PolarHBondContact O-N 3.28Å
228H83.2Confident90.6Very high195 Ų19563.9 Ų63.990%0.90331%0.311SS*.THydrogen-bonded Turntrans-63.5-18.4170.5-66.1-72.3000112.4A230H228-A230 VanDerWaalsContact C-N 3.34Å
229L89.4Confident90.7Very high109 Ų10964.4 Ų64.457%0.57131%0.309SS*.THydrogen-bonded Turntrans-90.411.2-179.8-58.5177.8000113.7S227 V231 F232 T233S227-L229 PolarHBondContact O-N 3.2Å; S227-L229 PolarHBondContact OG-N 3.07Å; S227-L229 VanDerWaalsContact OG-N 3.11Å; L229-V231 VanDerWaalsContact C-N 3.28Å; L229-V231 PolarHBondContact O-N 2.98Å; L229-F232 WeakPolarHBondContact O-CB 3.39Å; L229-F232 PolarHBondContact O-N 3.46Å; L229-T233 PolarHBondContact O-N 3.27Å; L229-T233 PolarHBondContact O-OG1 3.4Å
230A90.9Very high90.8Very high11 Ų1168.9 Ų68.99%0.09133%0.329CS..Hα-helixtrans-55.6-38.6-174.600000113.8S227 H228 T233 I234 V271 T275S227-A230 WeakPolarHBondContact O-CB 3.19Å; S227-A230 PolarHBondContact O-N 3.28Å; H228-A230 VanDerWaalsContact C-N 3.34Å; A230-T233 PolarHBondContact O-N 2.73Å; A230-I234 VanDerWaalsContact O-CG1 3.29Å; A230-I234 WeakPolarHBondContact O-CG1 3.05Å; A230-I234 PolarHBondContact O-N 2.87Å; A230-V271 HydrophobicContact CB-CG1 3.8Å; A230-T275 HydrophobicContact CB-CG2 4.03Å
231V92.6Very high91.1Very high36 Ų3668.9 Ų68.922%0.21833%0.329CS..Hα-helixtrans-57.3-51.2174.5-178.40000110.3L229 I234 L235 T275 T278 V279L229-V231 VanDerWaalsContact C-N 3.28Å; L229-V231 PolarHBondContact O-N 2.98Å; V231-I234 PolarHBondContact O-N 3.4Å; V231-L235 HydrophobicContact CG1-CD1 4.13Å; V231-L235 WeakPolarHBondContact O-CG 3.31Å; V231-L235 PolarHBondContact O-N 3.09Å; V231-T275 HydrophobicContact CG2-CG2 3.58Å; V231-T278 HydrophobicContact CG1-CG2 4.41Å; V231-T278 HydrophobicContact CG2-CG2 4.17Å; V231-V279 HydrophobicContact CB-CG2 4.16Å; V231-V279 HydrophobicContact CG1-CG2 3.79Å; V231-V279 HydrophobicContact CG2-CG2 4.16Å
232F92.8Very high91.4Very high127 Ų12765.7 Ų65.756%0.55731%0.311SS*.Hα-helixtrans-63.1-44.2-179.7177.4-102.6000111.3L229 I234 L235 L236L229-F232 WeakPolarHBondContact O-CB 3.39Å; L229-F232 PolarHBondContact O-N 3.46Å; F232-I234 PolarHBondContact O-N 3.02Å; F232-L235 PolarHBondContact O-N 2.98Å; F232-L236 HydrophobicContact CE1-CB 4.43Å; F232-L236 HydrophobicContact CE1-CD2 3.78Å; F232-L236 HydrophobicContact CZ-CD1 4.24Å; F232-L236 HydrophobicContact CZ-CD2 4.14Å; F232-L236 WeakPolarHBondContact O-CB 3.4Å; F232-L236 PolarHBondContact O-N 3.31Å
233T93.6Very high91.6Very high27 Ų2765.5 Ų65.517%0.16631%0.311CS..Hα-helixtrans-59.6-44.8179-56.90000112.7I222 L229 A230 L237I222-T233 HydrophobicContact CB-CG2 4.37Å; I222-T233 HydrophobicContact CG2-CG2 3.67Å; L229-T233 PolarHBondContact O-N 3.27Å; L229-T233 PolarHBondContact O-OG1 3.4Å; A230-T233 PolarHBondContact O-N 2.73Å; T233-L237 HydrophobicContact CG2-CD1 3.77Å; T233-L237 WeakPolarHBondContact O-CB 3.03Å; T233-L237 WeakPolarHBondContact O-CG 3.46Å; T233-L237 PolarHBondContact O-N 3.02Å
234I95.1Very high91.9Very high0 Ų068.8 Ų68.80%033%0.326CS..Hα-helixtrans-61.8-49.9-179.8-70.8166.3000110.4Y76 T219 A230 V231 F232 L237 S238 Q263 F268 V271 V279Y76-I234 WeakPolarHBondContact OH-CG2 2.85Å; T219-I234 HydrophobicContact CG2-CB 4.43Å; T219-I234 HydrophobicContact CG2-CG1 3.94Å; A230-I234 VanDerWaalsContact O-CG1 3.29Å; A230-I234 WeakPolarHBondContact O-CG1 3.05Å; A230-I234 PolarHBondContact O-N 2.87Å; V231-I234 PolarHBondContact O-N 3.4Å; F232-I234 PolarHBondContact O-N 3.02Å; I234-L237 PolarHBondContact O-N 2.81Å; I234-S238 PolarHBondContact O-N 3.32Å; I234-S238 VanDerWaalsContact O-N 3.15Å; I234-S238 PolarHBondContact O-OG 2.64Å; I234-S238 VanDerWaalsContact O-OG 3.09Å; I234-Q263 PolarHBondContact O-NE2 3.41Å; I234-F268 HydrophobicContact CD1-CD1 4.22Å; I234-F268 HydrophobicContact CD1-CE1 4.17Å; I234-F268 HydrophobicContact CG2-CE1 4.16Å; I234-V271 HydrophobicContact CD1-CG1 4.07Å; I234-V279 HydrophobicContact CD1-CG2 4.49Å
235L95.7Very high92.5Very high28 Ų2863.3 Ų63.315%0.14731%0.306CS..Hα-helixtrans-67.9-38.2-179.3-64.8175.3000112.7L72 Y76 V231 F232 S238 Y239 V279 F282 I283L72-L235 HydrophobicContact CD2-CD2 3.8Å; Y76-L235 HydrophobicContact CE2-CD2 4.5Å; V231-L235 HydrophobicContact CG1-CD1 4.13Å; V231-L235 WeakPolarHBondContact O-CG 3.31Å; V231-L235 PolarHBondContact O-N 3.09Å; F232-L235 PolarHBondContact O-N 2.98Å; L235-S238 VanDerWaalsContact C-OG 3.32Å; L235-S238 WeakPolarHBondContact CA-OG 3.29Å; L235-S238 PolarHBondContact O-OG 3.07Å; L235-Y239 PolarHBondContact O-N 2.87Å; L235-Y239 VanDerWaalsContact O-N 3.08Å; L235-V279 HydrophobicContact CD2-CG1 4.26Å; L235-F282 HydrophobicContact CD1-CD1 3.53Å; L235-F282 HydrophobicContact CD1-CE1 3.68Å; L235-I283 HydrophobicContact CD2-CD1 4.3Å
236L95.6Very high92.9Very high87 Ų8760 Ų6046%0.45529%0.29SS..Hα-helixtrans-62.8-47.8177.8-179.870000110.5F232 Y239 F240F232-L236 HydrophobicContact CE1-CB 4.43Å; F232-L236 HydrophobicContact CE1-CD2 3.78Å; F232-L236 HydrophobicContact CZ-CD1 4.24Å; F232-L236 HydrophobicContact CZ-CD2 4.14Å; F232-L236 WeakPolarHBondContact O-CB 3.4Å; F232-L236 PolarHBondContact O-N 3.31Å; L236-Y239 PolarHBondContact O-N 2.95Å; L236-F240 WeakPolarHBondContact O-CB 3.24Å; L236-F240 PolarHBondContact O-N 2.67Å
237L97.3Very high93.7Very high17 Ų1756.2 Ų56.29%0.08929%0.289CS..Hα-helixtrans-71.9-30.1-176.9-72.8167.6000113F215 L218 T219 I222 T233 I234 S241F215-L237 HydrophobicContact CD1-CD2 4.23Å; L218-L237 HydrophobicContact CD2-CD2 4.41Å; T219-L237 HydrophobicContact CG2-CD1 4.06Å; T219-L237 WeakPolarHBondContact OG1-CB 3.46Å; T219-L237 WeakPolarHBondContact OG1-CD1 3.41Å; I222-L237 HydrophobicContact CD1-CD1 3.73Å; T233-L237 HydrophobicContact CG2-CD1 3.77Å; T233-L237 WeakPolarHBondContact O-CB 3.03Å; T233-L237 WeakPolarHBondContact O-CG 3.46Å; T233-L237 PolarHBondContact O-N 3.02Å; I234-L237 PolarHBondContact O-N 2.81Å; L237-S241 PolarHBondContact O-N 3.38Å
238S97.1Very high94.4Very high0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-67.7-40.4170.548.90000112.3L72 I234 L235 S241 Y242 M256L72-S238 VanDerWaalsContact CD2-OG 3.22Å; L72-S238 WeakPolarHBondContact CD2-OG 3.36Å; I234-S238 PolarHBondContact O-N 3.32Å; I234-S238 VanDerWaalsContact O-N 3.15Å; I234-S238 PolarHBondContact O-OG 2.64Å; I234-S238 VanDerWaalsContact O-OG 3.09Å; L235-S238 VanDerWaalsContact C-OG 3.32Å; L235-S238 WeakPolarHBondContact CA-OG 3.29Å; L235-S238 PolarHBondContact O-OG 3.07Å; S238-S241 PolarHBondContact O-OG 3.21Å; S238-Y242 PolarHBondContact O-N 3.33Å; S238-M256 WeakPolarHBondContact O-CE 3.32Å
239Y96.7Very high94.8Very high79 Ų7949.8 Ų49.831%0.3127%0.272SS..Hα-helixtrans-71.9-36.2175.4-170.4-106.3000111.9N64 P68 L235 L236 S241 Y242 I243 M256N64-Y239 WeakPolarHBondContact O-CE2 3.11Å; N64-Y239 PolarHBondContact O-OH 3Å; P68-Y239 HydrophobicContact CB-CD2 4Å; P68-Y239 HydrophobicContact CB-CE2 3.93Å; P68-Y239 HydrophobicContact CG-CE2 3.99Å; L235-Y239 PolarHBondContact O-N 2.87Å; L235-Y239 VanDerWaalsContact O-N 3.08Å; L236-Y239 PolarHBondContact O-N 2.95Å; Y239-S241 VanDerWaalsContact C-N 3.32Å; Y239-S241 PolarHBondContact O-N 3.09Å; Y239-Y242 WeakPolarHBondContact O-CB 3.21Å; Y239-Y242 PolarHBondContact O-N 3.44Å; Y239-I243 HydrophobicContact CD1-CD1 3.87Å; Y239-I243 HydrophobicContact CD1-CG1 4.35Å; Y239-I243 HydrophobicContact CE1-CD1 3.32Å; Y239-I243 HydrophobicContact CE1-CG1 4Å; Y239-I243 PolarHBondContact O-N 2.84Å; Y239-I243 VanDerWaalsContact O-N 3.11Å; Y239-M256 HydrophobicContact CD2-CE 4.15Å
240F97Very high95.1Very high95 Ų9548.3 Ų48.342%0.41726%0.259SS..Hα-helixtrans-64.5-36175.9-170.1-109.5000112F215 L236 Y242 I243 M244F215-F240 AromaticContact CD1-CD1 3.85Å; F215-F240 HydrophobicContact CD1-CD1 3.85Å; F215-F240 HydrophobicContact CD1-CE1 4.35Å; F215-F240 AromaticContact CE1-CD1 3.31Å; F215-F240 HydrophobicContact CE1-CD1 3.31Å; F215-F240 AromaticContact CE1-CE1 3.36Å; F215-F240 HydrophobicContact CE1-CE1 3.36Å; F215-F240 HydrophobicContact CE2-CD1 4.42Å; F215-F240 HydrophobicContact CE2-CE1 4.43Å; F215-F240 AromaticContact CZ-CD1 3.64Å; F215-F240 HydrophobicContact CZ-CD1 3.64Å; F215-F240 AromaticContact CZ-CE1 3.42Å; F215-F240 HydrophobicContact CZ-CE1 3.42Å; F215-F240 VanDerWaalsContact CZ-CE1 3.42Å; L236-F240 WeakPolarHBondContact O-CB 3.24Å; L236-F240 PolarHBondContact O-N 2.67Å; F240-Y242 VanDerWaalsContact C-N 3.28Å; F240-Y242 PolarHBondContact O-N 3.22Å; F240-I243 PolarHBondContact O-N 2.92Å; F240-M244 VanDerWaalsContact O-CB 3.24Å; F240-M244 WeakPolarHBondContact O-CB 3.37Å; F240-M244 PolarHBondContact O-N 2.88Å
241S97.7Very high95.3Very high0 Ų047.9 Ų47.90%026%0.255CS..Hα-helixtrans-64-34.8175.278.40000112.3L237 S238 Y239 A245 S255 C259L237-S241 PolarHBondContact O-N 3.38Å; S238-S241 PolarHBondContact O-OG 3.21Å; Y239-S241 VanDerWaalsContact C-N 3.32Å; Y239-S241 PolarHBondContact O-N 3.09Å; S241-A245 WeakPolarHBondContact O-CB 3.31Å; S241-A245 PolarHBondContact O-N 3Å; S241-A245 VanDerWaalsContact O-N 3.14Å; S241-S255 VanDerWaalsContact C-OG 3.23Å; S241-S255 WeakPolarHBondContact CB-OG 3.19Å; S241-S255 PolarHBondContact O-OG 2.86Å; S241-C259 WeakPolarHBondContact OG-CB 3.47Å
242Y96.5Very high95.4Very high6 Ų646.2 Ų46.22%0.02425%0.245CC..Hα-helixtrans-65-52.9174172.7-89.5000111.7F63 P68 S238 Y239 F240 M244 A245 N246 G252 I253 M256F63-Y242 PolarHBondContact O-OH 3.32Å; F63-Y242 VanDerWaalsContact O-OH 3.05Å; P68-Y242 HydrophobicContact CG-CE1 4.38Å; S238-Y242 PolarHBondContact O-N 3.33Å; Y239-Y242 WeakPolarHBondContact O-CB 3.21Å; Y239-Y242 PolarHBondContact O-N 3.44Å; F240-Y242 VanDerWaalsContact C-N 3.28Å; F240-Y242 PolarHBondContact O-N 3.22Å; Y242-M244 PolarHBondContact O-N 3.12Å; Y242-A245 PolarHBondContact O-N 2.86Å; Y242-N246 VanDerWaalsContact CE1-ND2 3.25Å; Y242-N246 WeakPolarHBondContact CE1-ND2 2.88Å; Y242-N246 PolarHBondContact O-N 3.16Å; Y242-N246 VanDerWaalsContact O-N 3.08Å; Y242-N246 PolarHBondContact OH-ND2 3.42Å; Y242-G252 VanDerWaalsContact CD2-O 3.28Å; Y242-G252 WeakPolarHBondContact CD2-O 3.49Å; Y242-I253 HydrophobicContact CE2-CG1 4.06Å; Y242-M256 HydrophobicContact CD2-CE 4.08Å; Y242-M256 HydrophobicContact CG-CE 3.79Å
243I96.1Very high95.5Very high66 Ų6640.6 Ų40.634%0.33822%0.221SC..Hα-helixtrans-61.1-46179-67.3-173.4000110.9Y239 F240 A245 N246 C247Y239-I243 HydrophobicContact CD1-CD1 3.87Å; Y239-I243 HydrophobicContact CD1-CG1 4.35Å; Y239-I243 HydrophobicContact CE1-CD1 3.32Å; Y239-I243 HydrophobicContact CE1-CG1 4Å; Y239-I243 PolarHBondContact O-N 2.84Å; Y239-I243 VanDerWaalsContact O-N 3.11Å; F240-I243 PolarHBondContact O-N 2.92Å; I243-A245 VanDerWaalsContact C-N 3.31Å; I243-A245 PolarHBondContact O-N 3.26Å; I243-N246 PolarHBondContact O-N 3.29Å; I243-N246 VanDerWaalsContact O-N 3.16Å; I243-C247 PolarHBondContact O-N 3.27Å; I243-C247 PolarHBondContact O-SG 2.9Å
244M96.6Very high95.6Very high75 Ų7540.3 Ų40.337%0.36922%0.218SC..Hα-helixtrans-61.5-40.7-177.9-172.664.4-17300111.9I211 F215 F240 Y242 C247 V248I211-M244 HydrophobicContact CG2-CB 4.34Å; I211-M244 HydrophobicContact CG2-CG 4.37Å; F215-M244 HydrophobicContact CE2-CB 4.01Å; F215-M244 HydrophobicContact CE2-CG 3.83Å; F215-M244 HydrophobicContact CZ-CB 4.45Å; F215-M244 HydrophobicContact CZ-CG 4.19Å; F240-M244 VanDerWaalsContact O-CB 3.24Å; F240-M244 WeakPolarHBondContact O-CB 3.37Å; F240-M244 PolarHBondContact O-N 2.88Å; Y242-M244 PolarHBondContact O-N 3.12Å; M244-C247 PolarHBondContact O-N 3.36Å; M244-V248 HydrophobicContact CE-CG2 4.24Å; M244-V248 WeakPolarHBondContact O-CG2 3.35Å; M244-V248 PolarHBondContact O-N 3.46Å; M244-V248 VanDerWaalsContact O-N 3.12Å
245A97Very high95.7Very high0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-64.9-42.5175.400000112I211 S241 Y242 I243 C247 V248 G249 W250I211-A245 HydrophobicContact CB-CB 4.41Å; I211-A245 HydrophobicContact CD1-CB 4.03Å; I211-A245 HydrophobicContact CG2-CB 4.18Å; S241-A245 WeakPolarHBondContact O-CB 3.31Å; S241-A245 PolarHBondContact O-N 3Å; S241-A245 VanDerWaalsContact O-N 3.14Å; Y242-A245 PolarHBondContact O-N 2.86Å; I243-A245 VanDerWaalsContact C-N 3.31Å; I243-A245 PolarHBondContact O-N 3.26Å; A245-C247 VanDerWaalsContact C-N 3.34Å; A245-C247 PolarHBondContact O-N 3.16Å; A245-V248 PolarHBondContact O-N 3.02Å; A245-V248 VanDerWaalsContact O-N 3.16Å; A245-G249 PolarHBondContact O-N 3.32Å; A245-G249 VanDerWaalsContact O-N 3.12Å; A245-W250 CarbonylContact C-O 3.58Å; A245-W250 PolarHBondContact O-N 2.83Å; A245-W250 VanDerWaalsContact O-O 3.08Å
246N93.2Very high95.8Very high64 Ų6439 Ų3934%0.34221%0.211SC..Hα-helixtrans-62.4-38.9174.2-71.6-1.8000112.2Y242 I243 V248 G249 G252Y242-N246 VanDerWaalsContact CE1-ND2 3.25Å; Y242-N246 WeakPolarHBondContact CE1-ND2 2.88Å; Y242-N246 PolarHBondContact O-N 3.16Å; Y242-N246 VanDerWaalsContact O-N 3.08Å; Y242-N246 PolarHBondContact OH-ND2 3.42Å; I243-N246 PolarHBondContact O-N 3.29Å; I243-N246 VanDerWaalsContact O-N 3.16Å; N246-V248 VanDerWaalsContact C-N 3.27Å; N246-V248 PolarHBondContact O-N 3.2Å; N246-G249 PolarHBondContact O-N 2.9Å; N246-G249 VanDerWaalsContact O-N 3.07Å; N246-G252 WeakPolarHBondContact OD1-CA 3.2Å; N246-G252 PolarHBondContact OD1-N 3.4Å
247C94.8Very high95.7Very high101 Ų10135.2 Ų35.268%0.68219%0.191SC*.Hα-helixtrans-63.9-31.3175.4-69.20000113.1I243 M244 A245 G249I243-C247 PolarHBondContact O-N 3.27Å; I243-C247 PolarHBondContact O-SG 2.9Å; M244-C247 PolarHBondContact O-N 3.36Å; A245-C247 VanDerWaalsContact C-N 3.34Å; A245-C247 PolarHBondContact O-N 3.16Å; C247-G249 VanDerWaalsContact C-N 3.3Å
248V94.4Very high95.6Very high67 Ų6734.7 Ų34.741%0.40619%0.19SC..Hα-helixtrans-80.4-13.5175.5175.80000111.8I211 M244 A245 N246 W250I211-V248 HydrophobicContact CD1-CB 4.16Å; I211-V248 HydrophobicContact CD1-CG1 4.42Å; I211-V248 HydrophobicContact CD1-CG2 4.04Å; M244-V248 HydrophobicContact CE-CG2 4.24Å; M244-V248 WeakPolarHBondContact O-CG2 3.35Å; M244-V248 PolarHBondContact O-N 3.46Å; M244-V248 VanDerWaalsContact O-N 3.12Å; A245-V248 PolarHBondContact O-N 3.02Å; A245-V248 VanDerWaalsContact O-N 3.16Å; N246-V248 VanDerWaalsContact C-N 3.27Å; N246-V248 PolarHBondContact O-N 3.2Å; V248-W250 HydrophobicContact CB-CD2 4.48Å; V248-W250 HydrophobicContact CG1-CD2 3.58Å; V248-W250 HydrophobicContact CG1-CE3 3.77Å; V248-W250 HydrophobicContact CG1-CG 4.06Å; V248-W250 HydrophobicContact CG1-CH2 4.2Å; V248-W250 HydrophobicContact CG1-CZ2 4.03Å; V248-W250 HydrophobicContact CG1-CZ3 4.08Å
249G91.6Very high95.6Very high51 Ų5134.7 Ų34.753%0.52619%0.19SC..THydrogen-bonded Turntrans79.626.2-173.700000113.2A245 N246 C247A245-G249 PolarHBondContact O-N 3.32Å; A245-G249 VanDerWaalsContact O-N 3.12Å; N246-G249 PolarHBondContact O-N 2.9Å; N246-G249 VanDerWaalsContact O-N 3.07Å; C247-G249 VanDerWaalsContact C-N 3.3Å
250W94.9Very high95.5Very high78 Ų7831 Ų3130%0.29518%0.176SC..SBendtrans-110.8171.7172-63.9-18000110.7I211 A245 V248 G252I211-W250 HydrophobicContact CD1-CD2 4.41Å; I211-W250 HydrophobicContact CD1-CE3 3.33Å; I211-W250 HydrophobicContact CD1-CZ3 3.7Å; I211-W250 HydrophobicContact CG1-CE3 3.8Å; I211-W250 HydrophobicContact CG1-CZ3 3.83Å; A245-W250 CarbonylContact C-O 3.58Å; A245-W250 PolarHBondContact O-N 2.83Å; A245-W250 VanDerWaalsContact O-O 3.08Å; V248-W250 HydrophobicContact CB-CD2 4.48Å; V248-W250 HydrophobicContact CG1-CD2 3.58Å; V248-W250 HydrophobicContact CG1-CE3 3.77Å; V248-W250 HydrophobicContact CG1-CG 4.06Å; V248-W250 HydrophobicContact CG1-CH2 4.2Å; V248-W250 HydrophobicContact CG1-CZ2 4.03Å; V248-W250 HydrophobicContact CG1-CZ3 4.08Å; W250-G252 PolarHBondContact O-N 2.8Å
251S95Very high95.3Very high2 Ų228.4 Ų28.41%0.01417%0.166CC..  trans-70108.6-174.7-178.40000112.2V204 I253 I254 S255V204-S251 PolarHBondContact O-N 3.36Å; S251-I253 VanDerWaalsContact C-N 3.27Å; S251-I253 PolarHBondContact O-N 3.41Å; S251-I254 PolarHBondContact O-N 2.96Å; S251-I254 WeakPolarHBondContact OG-CG1 3.43Å; S251-I254 PolarHBondContact OG-N 3.46Å; S251-S255 WeakPolarHBondContact O-CB 3.37Å; S251-S255 PolarHBondContact O-N 2.63Å
252G95.6Very high95.1Very high1 Ų130 Ų301%0.0117%0.174CC..Hα-helixtrans-59.2-37.217100000113.2Y242 N246 W250 S255 M256Y242-G252 VanDerWaalsContact CD2-O 3.28Å; Y242-G252 WeakPolarHBondContact CD2-O 3.49Å; N246-G252 WeakPolarHBondContact OD1-CA 3.2Å; N246-G252 PolarHBondContact OD1-N 3.4Å; W250-G252 PolarHBondContact O-N 2.8Å; G252-S255 WeakPolarHBondContact O-CB 3.48Å; G252-S255 PolarHBondContact O-N 2.79Å; G252-M256 PolarHBondContact O-N 2.94Å
253I94.3Very high94.9Very high8 Ų829.8 Ų29.84%0.04117%0.173CC..Hα-helixtrans-64.6-51.1-179.6-62.5171.9000110.4F63 L67 I71 A171 V174 Y242 S251 S255 M256 I257F63-I253 HydrophobicContact CE1-CD1 4.39Å; L67-I253 HydrophobicContact CD2-CD1 3.7Å; L67-I253 HydrophobicContact CD2-CG1 4.13Å; I71-I253 HydrophobicContact CD1-CB 4.09Å; I71-I253 HydrophobicContact CD1-CD1 4.43Å; I71-I253 HydrophobicContact CD1-CG1 3.79Å; I71-I253 HydrophobicContact CD1-CG2 3.6Å; I71-I253 HydrophobicContact CG1-CG2 4.28Å; I71-I253 HydrophobicContact CG2-CG2 4.45Å; A171-I253 HydrophobicContact CB-CB 4.46Å; A171-I253 HydrophobicContact CB-CG2 3.53Å; V174-I253 HydrophobicContact CB-CD1 3.81Å; V174-I253 HydrophobicContact CG1-CD1 3.82Å; V174-I253 HydrophobicContact CG2-CD1 3.59Å; Y242-I253 HydrophobicContact CE2-CG1 4.06Å; S251-I253 VanDerWaalsContact C-N 3.27Å; S251-I253 PolarHBondContact O-N 3.41Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 2.95Å; I253-M256 PolarHBondContact O-N 3.3Å; I253-M256 VanDerWaalsContact O-N 3.13Å; I253-I257 HydrophobicContact CG2-CD1 4.09Å; I253-I257 WeakPolarHBondContact O-CG1 3.2Å; I253-I257 PolarHBondContact O-N 2.85Å
254I95.7Very high94.6Very high21 Ų2127.1 Ų27.111%0.10816%0.16CC..Hα-helixtrans-63.4-37.2178.4-62.5171.8000110.4A171 V175 S205 L209 S251 I257 G258A171-I254 HydrophobicContact CB-CG1 3.72Å; V175-I254 HydrophobicContact CG2-CD1 3.82Å; S205-I254 WeakPolarHBondContact O-CG2 3.44Å; L209-I254 HydrophobicContact CB-CG2 3.82Å; S251-I254 PolarHBondContact O-N 2.96Å; S251-I254 WeakPolarHBondContact OG-CG1 3.43Å; S251-I254 PolarHBondContact OG-N 3.46Å; I254-I257 PolarHBondContact O-N 3.2Å; I254-G258 PolarHBondContact O-N 3.35Å
255S97.6Very high94.1Very high0 Ų023.8 Ų23.80%014%0.144CC..Hα-helixtrans-59.4-45.7172.7177.20000112.2G208 G212 S241 S251 G252 I253 G258 C259G208-S255 WeakPolarHBondContact O-CA 3.2Å; G208-S255 WeakPolarHBondContact O-CB 3.4Å; G212-S255 WeakPolarHBondContact CA-O 3.44Å; G212-S255 WeakPolarHBondContact CA-OG 3.22Å; G212-S255 PolarHBondContact N-OG 3.44Å; S241-S255 VanDerWaalsContact C-OG 3.23Å; S241-S255 WeakPolarHBondContact CB-OG 3.19Å; S241-S255 PolarHBondContact O-OG 2.86Å; S251-S255 WeakPolarHBondContact O-CB 3.37Å; S251-S255 PolarHBondContact O-N 2.63Å; G252-S255 WeakPolarHBondContact O-CB 3.48Å; G252-S255 PolarHBondContact O-N 2.79Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 2.95Å; S255-G258 PolarHBondContact O-N 3.48Å; S255-C259 VanDerWaalsContact O-CB 3.3Å; S255-C259 WeakPolarHBondContact O-CB 3.31Å; S255-C259 PolarHBondContact O-N 3.45Å
256M96.6Very high93.6Very high2 Ų225.2 Ų25.21%0.0115%0.15CC..Hα-helixtrans-64.8-41.7177.6-172.1170-75.600112.2P68 I71 L72 S238 Y239 Y242 G252 I253 C259 G260P68-M256 HydrophobicContact CB-CE 3.62Å; P68-M256 HydrophobicContact CB-SD 3.92Å; I71-M256 HydrophobicContact CB-SD 4.22Å; I71-M256 HydrophobicContact CG2-CB 4.3Å; I71-M256 HydrophobicContact CG2-CG 4.22Å; I71-M256 HydrophobicContact CG2-SD 4.33Å; L72-M256 HydrophobicContact CB-CG 4.44Å; L72-M256 HydrophobicContact CB-SD 4.05Å; L72-M256 HydrophobicContact CD1-CG 4.29Å; S238-M256 WeakPolarHBondContact O-CE 3.32Å; Y239-M256 HydrophobicContact CD2-CE 4.15Å; Y242-M256 HydrophobicContact CD2-CE 4.08Å; Y242-M256 HydrophobicContact CG-CE 3.79Å; G252-M256 PolarHBondContact O-N 2.94Å; I253-M256 PolarHBondContact O-N 3.3Å; I253-M256 VanDerWaalsContact O-N 3.13Å; M256-C259 PolarHBondContact O-N 2.97Å; M256-G260 PolarHBondContact O-N 2.61Å
257I94.9Very high93.3Very high6 Ų622.1 Ų22.13%0.03113%0.134CC..Hα-helixtrans-60.4-49.3175-65.3170.7000110.2I71 L167 L168 A171 I253 I254 C259 G260 L261I71-I257 HydrophobicContact CG2-CD1 4.17Å; I71-I257 HydrophobicContact CG2-CG1 3.42Å; I71-I257 VanDerWaalsContact CG2-CG1 3.42Å; L167-I257 HydrophobicContact CD1-CD1 4.33Å; L167-I257 HydrophobicContact CG-CD1 4.1Å; L167-I257 HydrophobicContact CG-CG1 4.49Å; L168-I257 HydrophobicContact CD2-CD1 4.35Å; L168-I257 HydrophobicContact CD2-CG2 4.26Å; A171-I257 HydrophobicContact CB-CD1 3.8Å; I253-I257 HydrophobicContact CG2-CD1 4.09Å; I253-I257 WeakPolarHBondContact O-CG1 3.2Å; I253-I257 PolarHBondContact O-N 2.85Å; I254-I257 PolarHBondContact O-N 3.2Å; I257-C259 VanDerWaalsContact C-N 3.34Å; I257-C259 PolarHBondContact O-N 2.76Å; I257-G260 PolarHBondContact O-N 2.82Å; I257-L261 HydrophobicContact CG2-CD1 3.97Å; I257-L261 HydrophobicContact CG2-CG 4.38Å; I257-L261 WeakPolarHBondContact O-CB 3.47Å; I257-L261 VanDerWaalsContact O-CG 3.31Å; I257-L261 WeakPolarHBondContact O-CG 3.29Å; I257-L261 PolarHBondContact O-N 3.41Å
258G94.8Very high93Very high7 Ų717.8 Ų17.87%0.07210%0.103CC..Hα-helixtrans-60.1-42.9178.300000112.6I254 S255 I262I254-G258 PolarHBondContact O-N 3.35Å; S255-G258 PolarHBondContact O-N 3.48Å; G258-I262 WeakPolarHBondContact O-CG1 3.32Å; G258-I262 PolarHBondContact O-N 3.1Å
259C96.7Very high92.5Very high0 Ų017.7 Ų17.70%010%0.098CC..Hα-helixtrans-62.6-49.1175.5-171.60000111.3G212 S241 S255 M256 I257 L261 I262 Q263G212-C259 VanDerWaalsContact O-CA 3.22Å; G212-C259 WeakPolarHBondContact O-CA 3.31Å; G212-C259 WeakPolarHBondContact O-CB 3.31Å; G212-C259 PolarHBondContact O-N 2.93Å; S241-C259 WeakPolarHBondContact OG-CB 3.47Å; S255-C259 VanDerWaalsContact O-CB 3.3Å; S255-C259 WeakPolarHBondContact O-CB 3.31Å; S255-C259 PolarHBondContact O-N 3.45Å; M256-C259 PolarHBondContact O-N 2.97Å; I257-C259 VanDerWaalsContact C-N 3.34Å; I257-C259 PolarHBondContact O-N 2.76Å; C259-L261 PolarHBondContact O-N 3.31Å; C259-I262 PolarHBondContact O-N 3.49Å; C259-Q263 WeakPolarHBondContact O-CB 3.21Å; C259-Q263 VanDerWaalsContact O-CG 3.25Å; C259-Q263 WeakPolarHBondContact O-CG 3.15Å; C259-Q263 PolarHBondContact O-N 2.91Å
260G95.4Very high92.2Very high0 Ų016.2 Ų16.20%08%0.078CC..Hα-helixtrans-62-40.2-178.800000113.4M256 I257 Q263 T264M256-G260 PolarHBondContact O-N 2.61Å; I257-G260 PolarHBondContact O-N 2.82Å; G260-Q263 PolarHBondContact O-N 3.3Å; G260-T264 PolarHBondContact O-N 3.11Å; G260-T264 PolarHBondContact O-OG1 2.99Å
261L92.3Very high91.9Very high42 Ų4213.1 Ų13.122%0.227%0.068CC..Hα-helixtrans-63.1-45.6175.3-73175.2000112L78 I257 C259 T264 A265L78-L261 HydrophobicContact CB-CD2 4.39Å; L78-L261 HydrophobicContact CD2-CD2 4.23Å; L78-L261 HydrophobicContact CG-CD2 4.5Å; I257-L261 HydrophobicContact CG2-CD1 3.97Å; I257-L261 HydrophobicContact CG2-CG 4.38Å; I257-L261 WeakPolarHBondContact O-CB 3.47Å; I257-L261 VanDerWaalsContact O-CG 3.31Å; I257-L261 WeakPolarHBondContact O-CG 3.29Å; I257-L261 PolarHBondContact O-N 3.41Å; C259-L261 PolarHBondContact O-N 3.31Å; L261-T264 PolarHBondContact O-N 3.2Å; L261-A265 VanDerWaalsContact O-CB 3.28Å; L261-A265 WeakPolarHBondContact O-CB 3.5Å; L261-A265 PolarHBondContact O-N 2.84Å
262I92.1Very high91.5Very high34 Ų3416.1 Ų16.117%0.1748%0.084CC..Hα-helixtrans-67.6-40.2177.6-65.8-63.6000111.4V213 G216 I217 G258 C259 T264 A265 Y266V213-I262 HydrophobicContact CG1-CG1 4.44Å; V213-I262 HydrophobicContact CG2-CG1 4.19Å; G216-I262 VanDerWaalsContact C-CG2 3.44Å; I217-I262 HydrophobicContact CG1-CG2 4.35Å; G258-I262 WeakPolarHBondContact O-CG1 3.32Å; G258-I262 PolarHBondContact O-N 3.1Å; C259-I262 PolarHBondContact O-N 3.49Å; I262-T264 VanDerWaalsContact C-N 3.35Å; I262-T264 PolarHBondContact O-N 3.44Å; I262-A265 PolarHBondContact O-N 3.32Å; I262-Y266 HydrophobicContact CD1-CE2 4.23Å; I262-Y266 HydrophobicContact CG2-CD2 4.1Å; I262-Y266 WeakPolarHBondContact O-CD2 3.28Å; I262-Y266 PolarHBondContact O-N 3.4Å
263Q93.5Very high91.1Very high0 Ų018.9 Ų18.90%010%0.103CC..Iπ-helixtrans-61-44.1176.3-75.3178.1-16.100111.5Y76 T219 I234 C259 G260 A265 Y266 A267 F268Y76-Q263 HydrophobicContact CE1-CB 4.09Å; Y76-Q263 PolarHBondContact OH-OE1 3.27Å; T219-Q263 HydrophobicContact CG2-CG 3.95Å; T219-Q263 PolarHBondContact OG1-NE2 2.79Å; T219-Q263 VanDerWaalsContact OG1-NE2 3.1Å; I234-Q263 PolarHBondContact O-NE2 3.41Å; C259-Q263 WeakPolarHBondContact O-CB 3.21Å; C259-Q263 VanDerWaalsContact O-CG 3.25Å; C259-Q263 WeakPolarHBondContact O-CG 3.15Å; C259-Q263 PolarHBondContact O-N 2.91Å; G260-Q263 PolarHBondContact O-N 3.3Å; Q263-A265 VanDerWaalsContact C-N 3.34Å; Q263-Y266 PolarHBondContact O-N 3.38Å; Q263-A267 HydrophobicContact CB-CB 4.21Å; Q263-A267 HydrophobicContact CG-CB 4.39Å; Q263-A267 WeakPolarHBondContact O-CA 3.43Å; Q263-A267 WeakPolarHBondContact O-CB 3.26Å; Q263-A267 PolarHBondContact O-N 2.93Å; Q263-F268 PolarHBondContact O-N 3.34Å
264T90.6Very high90.8Very high11 Ų1124.7 Ų24.77%0.06713%0.13CC..Iπ-helixtrans-68.7-36.8178.1-45.30000111.6Y76 Y79 G260 L261 I262 F268Y76-T264 WeakPolarHBondContact CA-OG1 3.5Å; Y76-T264 WeakPolarHBondContact CD1-OG1 3.47Å; Y79-T264 HydrophobicContact CD1-CG2 3.52Å; Y79-T264 HydrophobicContact CG-CG2 3.88Å; G260-T264 PolarHBondContact O-N 3.11Å; G260-T264 PolarHBondContact O-OG1 2.99Å; L261-T264 PolarHBondContact O-N 3.2Å; I262-T264 VanDerWaalsContact C-N 3.35Å; I262-T264 PolarHBondContact O-N 3.44Å; T264-F268 HydrophobicContact CG2-CD2 3.58Å; T264-F268 HydrophobicContact CG2-CE2 3.71Å
265A85.3Confident90.5Very high4 Ų425.1 Ų25.13%0.03313%0.133CC..Iπ-helixtrans-65.9-38.417700000114Y79 L261 I262 Q263 H269Y79-A265 HydrophobicContact CD2-CB 4.08Å; Y79-A265 HydrophobicContact CE1-CB 4.14Å; Y79-A265 HydrophobicContact CE2-CB 3.42Å; Y79-A265 VanDerWaalsContact CE2-CB 3.42Å; Y79-A265 VanDerWaalsContact CZ-CB 3.45Å; L261-A265 VanDerWaalsContact O-CB 3.28Å; L261-A265 WeakPolarHBondContact O-CB 3.5Å; L261-A265 PolarHBondContact O-N 2.84Å; I262-A265 PolarHBondContact O-N 3.32Å; Q263-A265 VanDerWaalsContact C-N 3.34Å; A265-H269 PolarHBondContact O-CE1 3.47Å; A265-H269 PolarHBondContact O-ND1 3.29Å
266Y87Confident90.2Very high30 Ų3029.4 Ų29.412%0.11815%0.15CC..Iπ-helixtrans-130.9-49.9-167.9-56.8-74000113.8C220 I262 Q263 F268 H269 D461 I465 R466 L469 Q470C220-Y266 VanDerWaalsContact SG-CB 3.5Å; I262-Y266 HydrophobicContact CD1-CE2 4.23Å; I262-Y266 HydrophobicContact CG2-CD2 4.1Å; I262-Y266 WeakPolarHBondContact O-CD2 3.28Å; I262-Y266 PolarHBondContact O-N 3.4Å; Q263-Y266 PolarHBondContact O-N 3.38Å; Y266-F268 VanDerWaalsContact C-N 3.32Å; Y266-F268 PolarHBondContact O-N 2.89Å; Y266-H269 WeakPolarHBondContact O-CB 3.36Å; Y266-H269 PolarHBondContact O-N 3.2Å; Y266-H269 VanDerWaalsContact O-N 3.08Å; Y266-D461 WeakPolarHBondContact CE1-OD1 3Å; Y266-D461 PolarHBondContact OH-OD1 3.42Å; Y266-I465 HydrophobicContact CD1-CG2 4.35Å; Y266-I465 HydrophobicContact CE1-CG2 3.63Å; Y266-I465 HydrophobicContact CE2-CG2 4.19Å; Y266-R466 HydrophobicContact CE1-CG 4.16Å; Y266-L469 HydrophobicContact CD1-CB 4.44Å; Y266-L469 HydrophobicContact CD1-CD1 4.12Å; Y266-L469 HydrophobicContact CD2-CD1 3.84Å; Y266-L469 HydrophobicContact CE2-CD1 4.25Å; Y266-L469 HydrophobicContact CG-CB 4.39Å; Y266-L469 HydrophobicContact CG-CD1 3.77Å; Y266-Q470 HydrophobicContact CD1-CG 4.44Å
267A86.9Confident89.9Confident0 Ų033.4 Ų33.40%017%0.17CC..Iπ-helixtrans-62.6-37.6-176.300000112.5T219 C220 Q263 H269 N270T219-A267 HydrophobicContact CG2-CB 4.12Å; C220-A267 PolarHBondContact SG-N 2.99Å; C220-A267 VanDerWaalsContact SG-N 3.4Å; Q263-A267 HydrophobicContact CB-CB 4.21Å; Q263-A267 HydrophobicContact CG-CB 4.39Å; Q263-A267 WeakPolarHBondContact O-CA 3.43Å; Q263-A267 WeakPolarHBondContact O-CB 3.26Å; Q263-A267 PolarHBondContact O-N 2.93Å; A267-H269 PolarHBondContact O-N 2.92Å; A267-N270 WeakPolarHBondContact O-CB 3.3Å; A267-N270 PolarHBondContact O-N 3.35Å
268F87.3Confident89.9Confident9 Ų936.6 Ų36.64%0.03919%0.19CC..Hα-helixtrans-62.7-23.5176.5-77.8-9.5000114.1Y76 I234 Q263 T264 Y266 N270 V271 R276 V279 H280Y76-F268 HydrophobicContact CD1-CE2 4.23Å; Y76-F268 HydrophobicContact CD1-CZ 4.09Å; Y76-F268 HydrophobicContact CD2-CE2 4.42Å; Y76-F268 AromaticContact CD2-CZ 3.89Å; Y76-F268 HydrophobicContact CD2-CZ 3.89Å; Y76-F268 HydrophobicContact CE1-CZ 4.02Å; Y76-F268 AromaticContact CE2-CZ 3.88Å; Y76-F268 HydrophobicContact CE2-CZ 3.88Å; Y76-F268 HydrophobicContact CG-CE2 4.16Å; Y76-F268 HydrophobicContact CG-CZ 4.02Å; Y76-F268 AromaticContact CZ-CZ 3.94Å; I234-F268 HydrophobicContact CD1-CD1 4.22Å; I234-F268 HydrophobicContact CD1-CE1 4.17Å; I234-F268 HydrophobicContact CG2-CE1 4.16Å; Q263-F268 PolarHBondContact O-N 3.34Å; T264-F268 HydrophobicContact CG2-CD2 3.58Å; T264-F268 HydrophobicContact CG2-CE2 3.71Å; Y266-F268 VanDerWaalsContact C-N 3.32Å; Y266-F268 PolarHBondContact O-N 2.89Å; F268-N270 VanDerWaalsContact C-N 3.32Å; F268-V271 HydrophobicContact CD1-CG2 4.47Å; F268-V271 WeakPolarHBondContact O-CG2 3.22Å; F268-R276 HydrophobicContact CB-CG 4.08Å; F268-R276 HydrophobicContact CD1-CG 4.39Å; F268-R276 HydrophobicContact CG-CG 4.22Å; F268-R276 VanDerWaalsContact O-CD 3.25Å; F268-R276 WeakPolarHBondContact O-CD 3.18Å; F268-R276 PolarHBondContact O-NH1 3.45Å; F268-V279 HydrophobicContact CE1-CB 4.37Å; F268-V279 HydrophobicContact CE1-CG1 3.95Å; F268-V279 HydrophobicContact CZ-CG1 3.92Å; F268-H280 AromaticContact CE2-CE1 3.59Å; F268-H280 AromaticContact CE2-ND1 3.91Å
269H84.5Confident89.8Confident66 Ų6636.2 Ų36.231%0.30619%0.187SC..Hα-helixtrans-79.2-17.4175.1-60.579000112.4A265 Y266 A267 Q470 E474A265-H269 PolarHBondContact O-CE1 3.47Å; A265-H269 PolarHBondContact O-ND1 3.29Å; Y266-H269 WeakPolarHBondContact O-CB 3.36Å; Y266-H269 PolarHBondContact O-N 3.2Å; Y266-H269 VanDerWaalsContact O-N 3.08Å; A267-H269 PolarHBondContact O-N 2.92Å; H269-Q470 HydrophobicContact CB-CG 4.32Å; H269-E474 IonicContact CD2-OE2 3.39Å; H269-E474 IonicContact NE2-OE2 2.84Å
270N85.8Confident89.6Confident19 Ų1939.3 Ų39.310%0.10220%0.201CC..Hα-helixtrans-84.7-20.3176.9-70.9-21.8000113.6C220 T223 A267 F268 L469 Q470 N471C220-N270 PolarHBondContact O-ND2 3.46Å; T223-N270 HydrophobicContact CG2-CB 3.76Å; A267-N270 WeakPolarHBondContact O-CB 3.3Å; A267-N270 PolarHBondContact O-N 3.35Å; F268-N270 VanDerWaalsContact C-N 3.32Å; N270-L469 PolarHBondContact ND2-O 2.98Å; N270-Q470 WeakPolarHBondContact OD1-CA 3.38Å; N270-N471 PolarHBondContact OD1-N 3.02Å
271V87.4Confident89.5Confident13 Ų1343.8 Ų43.88%0.07923%0.225CC..SBendtrans-98164.5178.9-64.70000112.6T223 A230 I234 F268 T275 R276T223-V271 HydrophobicContact CG2-CG1 3.21Å; A230-V271 HydrophobicContact CB-CG1 3.8Å; I234-V271 HydrophobicContact CD1-CG1 4.07Å; F268-V271 HydrophobicContact CD1-CG2 4.47Å; F268-V271 WeakPolarHBondContact O-CG2 3.22Å; V271-T275 HydrophobicContact CB-CG2 3.94Å; V271-T275 HydrophobicContact CG1-CG2 4.07Å; V271-T275 HydrophobicContact CG2-CG2 4.3Å; V271-R276 HydrophobicContact CG2-CG 3.62Å; V271-R276 PolarHBondContact O-NH1 3.32Å
272D86.8Confident89.6Confident65 Ų6546.9 Ų46.935%0.34824%0.237SC..  trans-68.5159.7173.6-60.7-25.9000112.3R226 Q274 T275 R276R226-D272 IonicContact CZ-OD1 3.15Å; R226-D272 IonicContact CZ-OD2 2.66Å; R226-D272 IonicContact NH1-OD1 2.76Å; R226-D272 PolarHBondContact NH1-OD1 2.95Å; R226-D272 IonicContact NH1-OD2 3.36Å; R226-D272 PolarHBondContact NH1-OD2 2.81Å; R226-D272 IonicContact NH2-OD1 2.68Å; R226-D272 IonicContact NH2-OD2 2.99Å; R226-D272 PolarHBondContact NH2-OD2 2.87Å; D272-Q274 VanDerWaalsContact C-N 3.28Å; D272-Q274 PolarHBondContact O-N 3.4Å; D272-T275 WeakPolarHBondContact O-CB 3.33Å; D272-T275 PolarHBondContact O-N 3.43Å; D272-R276 PolarHBondContact O-N 3.46Å
273S86.7Confident89.8Confident59 Ų5945.7 Ų45.741%0.41323%0.231SC..Hα-helixtrans-56.8-41173.252.10000112.9T275 R276 I277S273-T275 PolarHBondContact O-N 3.21Å; S273-R276 PolarHBondContact O-N 2.83Å; S273-I277 WeakPolarHBondContact O-CD1 3.43Å; S273-I277 VanDerWaalsContact O-CG1 3.27Å; S273-I277 WeakPolarHBondContact O-CG1 3.25Å; S273-I277 PolarHBondContact O-N 2.97Å
274Q89Confident89.8Confident131 Ų13151.9 Ų51.961%0.61225%0.254SS*.Hα-helixtrans-60.2-47.2177.5-62.8-60.9-24.700111D272 R276 I277 T278D272-Q274 VanDerWaalsContact C-N 3.28Å; D272-Q274 PolarHBondContact O-N 3.4Å; Q274-R276 PolarHBondContact O-N 3.01Å; Q274-I277 PolarHBondContact O-N 3.11Å; Q274-T278 PolarHBondContact O-N 3.14Å; Q274-T278 PolarHBondContact O-OG1 3.21Å
275T90.3Very high89.9Confident29 Ų2955.1 Ų55.118%0.17827%0.273CS..Hα-helixtrans-60.1-43.2176.9-51.90000112.1A230 V231 V271 D272 S273 I277 T278 V279A230-T275 HydrophobicContact CB-CG2 4.03Å; V231-T275 HydrophobicContact CG2-CG2 3.58Å; V271-T275 HydrophobicContact CB-CG2 3.94Å; V271-T275 HydrophobicContact CG1-CG2 4.07Å; V271-T275 HydrophobicContact CG2-CG2 4.3Å; D272-T275 WeakPolarHBondContact O-CB 3.33Å; D272-T275 PolarHBondContact O-N 3.43Å; S273-T275 PolarHBondContact O-N 3.21Å; T275-I277 PolarHBondContact O-N 3.03Å; T275-T278 PolarHBondContact O-N 3.24Å; T275-V279 WeakPolarHBondContact O-CG2 3.32Å; T275-V279 PolarHBondContact O-N 3.42Å
276R90Very high90.3Very high90 Ų9057.4 Ų57.434%0.3428%0.284SS..Hα-helixtrans-59.2-47176.4-70.3-168.3-72.9-83.63.3112.2F268 V271 D272 S273 Q274 T278 V279 H280F268-R276 HydrophobicContact CB-CG 4.08Å; F268-R276 HydrophobicContact CD1-CG 4.39Å; F268-R276 HydrophobicContact CG-CG 4.22Å; F268-R276 VanDerWaalsContact O-CD 3.25Å; F268-R276 WeakPolarHBondContact O-CD 3.18Å; F268-R276 PolarHBondContact O-NH1 3.45Å; V271-R276 HydrophobicContact CG2-CG 3.62Å; V271-R276 PolarHBondContact O-NH1 3.32Å; D272-R276 PolarHBondContact O-N 3.46Å; S273-R276 PolarHBondContact O-N 2.83Å; Q274-R276 PolarHBondContact O-N 3.01Å; R276-T278 VanDerWaalsContact C-N 3.32Å; R276-V279 PolarHBondContact O-N 2.97Å; R276-H280 PolarHBondContact O-N 3Å
277I91.4Very high90.5Very high86 Ų8656.2 Ų56.244%0.44128%0.28SS..Hα-helixtrans-62.8-43.7179-65.6163.1000109.6S273 Q274 T275 V279 H280 N281S273-I277 WeakPolarHBondContact O-CD1 3.43Å; S273-I277 VanDerWaalsContact O-CG1 3.27Å; S273-I277 WeakPolarHBondContact O-CG1 3.25Å; S273-I277 PolarHBondContact O-N 2.97Å; Q274-I277 PolarHBondContact O-N 3.11Å; T275-I277 PolarHBondContact O-N 3.03Å; I277-V279 PolarHBondContact O-N 2.83Å; I277-H280 PolarHBondContact O-N 3.15Å; I277-N281 WeakPolarHBondContact CG2-ND2 3.33Å; I277-N281 WeakPolarHBondContact O-CB 3.37Å; I277-N281 VanDerWaalsContact O-CG 3.29Å; I277-N281 PolarHBondContact O-N 2.94Å
278T93.7Very high90.6Very high73 Ų7359.4 Ų59.445%0.44830%0.295SS..Hα-helixtrans-60.1-45.7176.4-57.60000111.9V231 Q274 T275 R276 F282V231-T278 HydrophobicContact CG1-CG2 4.41Å; V231-T278 HydrophobicContact CG2-CG2 4.17Å; Q274-T278 PolarHBondContact O-N 3.14Å; Q274-T278 PolarHBondContact O-OG1 3.21Å; T275-T278 PolarHBondContact O-N 3.24Å; R276-T278 VanDerWaalsContact C-N 3.32Å; T278-F282 WeakPolarHBondContact O-CB 3.42Å; T278-F282 PolarHBondContact O-N 3.42Å
279V93.8Very high90.8Very high0 Ų061.9 Ų61.90%031%0.309CS..Hα-helixtrans-60.5-49.7177172.60000110.8Y76 V231 I234 L235 F268 T275 R276 I277 F282 I283Y76-V279 HydrophobicContact CD2-CG1 4.22Å; Y76-V279 HydrophobicContact CE2-CG1 3.63Å; V231-V279 HydrophobicContact CB-CG2 4.16Å; V231-V279 HydrophobicContact CG1-CG2 3.79Å; V231-V279 HydrophobicContact CG2-CG2 4.16Å; I234-V279 HydrophobicContact CD1-CG2 4.49Å; L235-V279 HydrophobicContact CD2-CG1 4.26Å; F268-V279 HydrophobicContact CE1-CB 4.37Å; F268-V279 HydrophobicContact CE1-CG1 3.95Å; F268-V279 HydrophobicContact CZ-CG1 3.92Å; T275-V279 WeakPolarHBondContact O-CG2 3.32Å; T275-V279 PolarHBondContact O-N 3.42Å; R276-V279 PolarHBondContact O-N 2.97Å; I277-V279 PolarHBondContact O-N 2.83Å; V279-F282 PolarHBondContact O-N 3.1Å; V279-I283 WeakPolarHBondContact O-CG2 3.38Å; V279-I283 PolarHBondContact O-N 3.37Å
280H92.2Very high91.1Very high65 Ų6559.2 Ų59.230%0.30130%0.297SS..Hα-helixtrans-60-50179.6-97.871000112.1F268 R276 I277 F282 I283 R284F268-H280 AromaticContact CE2-CE1 3.59Å; F268-H280 AromaticContact CE2-ND1 3.91Å; R276-H280 PolarHBondContact O-N 3Å; I277-H280 PolarHBondContact O-N 3.15Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.49Å; H280-I283 WeakPolarHBondContact O-CG2 3.24Å; H280-R284 WeakPolarHBondContact O-CB 3.46Å; H280-R284 PolarHBondContact O-N 3.27Å
281N93.5Very high91.2Very high94 Ų9460.5 Ų60.550%0.50330%0.303SS..Hα-helixtrans-64.6-40-179.2-71.1-9.2000111.4I277 V285I277-N281 WeakPolarHBondContact CG2-ND2 3.33Å; I277-N281 WeakPolarHBondContact O-CB 3.37Å; I277-N281 VanDerWaalsContact O-CG 3.29Å; I277-N281 PolarHBondContact O-N 2.94Å; N281-V285 VanDerWaalsContact O-CG2 3.27Å; N281-V285 WeakPolarHBondContact O-CG2 3.41Å; N281-V285 PolarHBondContact O-N 3.49Å
282F94.6Very high91.2Very high107 Ų10760 Ų6047%0.46930%0.3SS..Hα-helixtrans-64.9-50.9179.8-176.5-101.9000111.8L235 T278 V279 H280 R284 V285 I286L235-F282 HydrophobicContact CD1-CD1 3.53Å; L235-F282 HydrophobicContact CD1-CE1 3.68Å; T278-F282 WeakPolarHBondContact O-CB 3.42Å; T278-F282 PolarHBondContact O-N 3.42Å; V279-F282 PolarHBondContact O-N 3.1Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.49Å; F282-R284 VanDerWaalsContact C-N 3.31Å; F282-R284 PolarHBondContact O-N 2.96Å; F282-V285 PolarHBondContact O-N 2.95Å; F282-I286 HydrophobicContact CD1-CD1 3.75Å; F282-I286 HydrophobicContact CD2-CD1 4.37Å; F282-I286 HydrophobicContact CE1-CD1 3.25Å; F282-I286 HydrophobicContact CE2-CD1 3.93Å; F282-I286 HydrophobicContact CG-CD1 4.3Å; F282-I286 HydrophobicContact CZ-CD1 3.36Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 3.46Å; F282-I286 VanDerWaalsContact O-N 3.13Å
283I95.3Very high91.3Very high9 Ų957.3 Ų57.35%0.04629%0.286CS..Hα-helixtrans-68-34.7-179.3-159.861.5000111.7P69 L72 E73 Y76 L235 V279 H280 I286 S287P69-I283 HydrophobicContact CB-CD1 4.08Å; L72-I283 HydrophobicContact CB-CD1 4.23Å; L72-I283 HydrophobicContact CB-CG1 4.18Å; L72-I283 HydrophobicContact CD2-CD1 3.84Å; L72-I283 HydrophobicContact CD2-CG1 4.18Å; L72-I283 HydrophobicContact CG-CD1 4.29Å; L72-I283 HydrophobicContact CG-CG1 4.16Å; E73-I283 HydrophobicContact CB-CG1 4.02Å; E73-I283 HydrophobicContact CB-CG2 4.11Å; E73-I283 HydrophobicContact CG-CG2 4.17Å; Y76-I283 HydrophobicContact CD2-CG2 3.98Å; Y76-I283 HydrophobicContact CE2-CG2 4.43Å; L235-I283 HydrophobicContact CD2-CD1 4.3Å; V279-I283 WeakPolarHBondContact O-CG2 3.38Å; V279-I283 PolarHBondContact O-N 3.37Å; H280-I283 WeakPolarHBondContact O-CG2 3.24Å; I283-I286 PolarHBondContact O-N 2.66Å; I283-S287 VanDerWaalsContact O-CB 3.23Å; I283-S287 WeakPolarHBondContact O-CB 3.08Å; I283-S287 PolarHBondContact O-N 3.47Å
284R93.2Very high91.5Very high129 Ų12954.9 Ų54.949%0.48727%0.268SS..Hα-helixtrans-60-50.6174.4179.2173.1177.8147.23.6112E73 H280 F282 I286 S287 E288E73-R284 HydrophobicContact CG-CB 4.35Å; H280-R284 WeakPolarHBondContact O-CB 3.46Å; H280-R284 PolarHBondContact O-N 3.27Å; F282-R284 VanDerWaalsContact C-N 3.31Å; F282-R284 PolarHBondContact O-N 2.96Å; R284-I286 VanDerWaalsContact C-N 3.32Å; R284-I286 PolarHBondContact O-N 3.02Å; R284-S287 PolarHBondContact O-N 3.06Å; R284-E288 HydrophobicContact CG-CG 4.4Å; R284-E288 VanDerWaalsContact CG-OE1 3.29Å; R284-E288 WeakPolarHBondContact CG-OE1 3.37Å; R284-E288 IonicContact CZ-OE1 2.81Å; R284-E288 IonicContact NE-OE1 2.83Å; R284-E288 PolarHBondContact NE-OE1 2.99Å; R284-E288 IonicContact NH2-OE1 2.69Å; R284-E288 WeakPolarHBondContact O-CB 3.48Å; R284-E288 VanDerWaalsContact O-CG 3.31Å; R284-E288 WeakPolarHBondContact O-CG 3.38Å; R284-E288 PolarHBondContact O-N 3.25Å
285V92.9Very high91.4Very high79 Ų7948.8 Ų48.848%0.47924%0.24SC..Hα-helixtrans-61.9-41.8179.1170.60000111.2N281 F282 I289N281-V285 VanDerWaalsContact O-CG2 3.27Å; N281-V285 WeakPolarHBondContact O-CG2 3.41Å; N281-V285 PolarHBondContact O-N 3.49Å; F282-V285 PolarHBondContact O-N 2.95Å; V285-I289 HydrophobicContact CG1-CD1 3.91Å; V285-I289 WeakPolarHBondContact O-CD1 3.13Å; V285-I289 VanDerWaalsContact O-CG1 3.25Å; V285-I289 WeakPolarHBondContact O-CG1 3.4Å; V285-I289 PolarHBondContact O-N 3.42Å; V285-I289 VanDerWaalsContact O-N 3.09Å
286I93.4Very high91.3Very high52 Ų5247.6 Ų47.627%0.26723%0.232SC..Hα-helixtrans-67.5-43.8178.6-64.6174.6000111P69 F282 I283 R284 I289 S290P69-I286 HydrophobicContact CB-CB 4.32Å; P69-I286 HydrophobicContact CB-CG2 3.51Å; P69-I286 HydrophobicContact CG-CG2 3.66Å; F282-I286 HydrophobicContact CD1-CD1 3.75Å; F282-I286 HydrophobicContact CD2-CD1 4.37Å; F282-I286 HydrophobicContact CE1-CD1 3.25Å; F282-I286 HydrophobicContact CE2-CD1 3.93Å; F282-I286 HydrophobicContact CG-CD1 4.3Å; F282-I286 HydrophobicContact CZ-CD1 3.36Å; F282-I286 WeakPolarHBondContact O-CG1 3.46Å; F282-I286 PolarHBondContact O-N 3.46Å; F282-I286 VanDerWaalsContact O-N 3.13Å; I283-I286 PolarHBondContact O-N 2.66Å; R284-I286 VanDerWaalsContact C-N 3.32Å; R284-I286 PolarHBondContact O-N 3.02Å; I286-I289 PolarHBondContact O-N 2.84Å; I286-S290 WeakPolarHBondContact O-CB 3.39Å; I286-S290 PolarHBondContact O-N 2.88Å; I286-S290 PolarHBondContact O-OG 3.49Å
287S92.4Very high91.2Very high5 Ų544.3 Ų44.34%0.03522%0.22CC..Hα-helixtrans-57.4-50.8175.7-179.30000111.2I70 I283 R284 I289 S290 E291I70-S287 WeakPolarHBondContact CA-OG 3.45Å; I283-S287 VanDerWaalsContact O-CB 3.23Å; I283-S287 WeakPolarHBondContact O-CB 3.08Å; I283-S287 PolarHBondContact O-N 3.47Å; R284-S287 PolarHBondContact O-N 3.06Å; S287-I289 VanDerWaalsContact C-N 3.27Å; S287-I289 PolarHBondContact O-N 2.93Å; S287-S290 PolarHBondContact O-N 3.45Å; S287-S290 VanDerWaalsContact O-N 3.12Å; S287-E291 WeakPolarHBondContact O-CB 3.19Å; S287-E291 PolarHBondContact O-N 3.14Å
288E88.9Confident91.1Very high67 Ų6740.2 Ų40.231%0.31320%0.199SC..Hα-helixtrans-59.6-35.9178.9-74.2175.4-168.500112.3K11 R284 S292K11-E288 PolarHBondContact NZ-O 3.38Å; R284-E288 HydrophobicContact CG-CG 4.4Å; R284-E288 VanDerWaalsContact CG-OE1 3.29Å; R284-E288 WeakPolarHBondContact CG-OE1 3.37Å; R284-E288 IonicContact CZ-OE1 2.81Å; R284-E288 IonicContact NE-OE1 2.83Å; R284-E288 PolarHBondContact NE-OE1 2.99Å; R284-E288 IonicContact NH2-OE1 2.69Å; R284-E288 WeakPolarHBondContact O-CB 3.48Å; R284-E288 VanDerWaalsContact O-CG 3.31Å; R284-E288 WeakPolarHBondContact O-CG 3.38Å; R284-E288 PolarHBondContact O-N 3.25Å; E288-S292 WeakPolarHBondContact O-CB 3.17Å; E288-S292 PolarHBondContact O-N 3.16Å; E288-S292 PolarHBondContact O-OG 3.34Å
289I90.3Very high90.8Very high62 Ų6236.7 Ų36.732%0.31818%0.178SC..Hα-helixtrans-70.6-49174.3-68.8166.4000110.6L4 V285 I286 S287 E291 S292 V293L4-I289 HydrophobicContact CD2-CG2 4.1Å; V285-I289 HydrophobicContact CG1-CD1 3.91Å; V285-I289 WeakPolarHBondContact O-CD1 3.13Å; V285-I289 VanDerWaalsContact O-CG1 3.25Å; V285-I289 WeakPolarHBondContact O-CG1 3.4Å; V285-I289 PolarHBondContact O-N 3.42Å; V285-I289 VanDerWaalsContact O-N 3.09Å; I286-I289 PolarHBondContact O-N 2.84Å; S287-I289 VanDerWaalsContact C-N 3.27Å; S287-I289 PolarHBondContact O-N 2.93Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.23Å; I289-S292 PolarHBondContact O-N 3.5Å; I289-S292 VanDerWaalsContact O-N 3.16Å; I289-V293 HydrophobicContact CG2-CG2 4.25Å; I289-V293 VanDerWaalsContact O-CG2 3.28Å; I289-V293 WeakPolarHBondContact O-CG2 3.37Å; I289-V293 PolarHBondContact O-N 3.34Å
290S90.7Very high90.5Very high9 Ų937.8 Ų37.86%0.06318%0.183CC..Hα-helixtrans-57.3-46.6-179.9-72.50000111.5L66 I286 S287 S292 V293 I294L66-S290 VanDerWaalsContact O-CB 3.32Å; L66-S290 WeakPolarHBondContact O-CB 3.27Å; L66-S290 PolarHBondContact O-OG 2.91Å; I286-S290 WeakPolarHBondContact O-CB 3.39Å; I286-S290 PolarHBondContact O-N 2.88Å; I286-S290 PolarHBondContact O-OG 3.49Å; S287-S290 PolarHBondContact O-N 3.45Å; S287-S290 VanDerWaalsContact O-N 3.12Å; S290-S292 VanDerWaalsContact C-N 3.3Å; S290-S292 PolarHBondContact O-N 2.92Å; S290-V293 WeakPolarHBondContact O-CB 3.24Å; S290-V293 PolarHBondContact O-N 3.43Å; S290-I294 WeakPolarHBondContact O-CD1 3.34Å; S290-I294 WeakPolarHBondContact O-CG1 3.48Å; S290-I294 PolarHBondContact O-N 3.25Å
291E88.6Confident90.2Very high46 Ų4635 Ų3522%0.21517%0.172CC..Hα-helixtrans-60.1-41.6177.4-167.8-176.5163.300111.7I70 V143 S287 I289 V293 I294 F295I70-E291 HydrophobicContact CD1-CB 4.31Å; V143-E291 WeakPolarHBondContact CG1-OE1 3.39Å; V143-E291 WeakPolarHBondContact CG2-OE1 3.25Å; S287-E291 WeakPolarHBondContact O-CB 3.19Å; S287-E291 PolarHBondContact O-N 3.14Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.23Å; E291-V293 PolarHBondContact O-N 2.89Å; E291-I294 WeakPolarHBondContact O-CB 3.3Å; E291-I294 PolarHBondContact O-N 2.95Å; E291-F295 HydrophobicContact CG-CD2 4.05Å; E291-F295 HydrophobicContact CG-CE2 3.61Å; E291-F295 VanDerWaalsContact O-CD2 3.29Å; E291-F295 WeakPolarHBondContact O-CD2 3.35Å; E291-F295 PolarHBondContact O-N 3.34Å; E291-F295 WeakPolarHBondContact OE1-CE2 3.25Å
292S88.6Confident89.9Confident3 Ų332 Ų322%0.02116%0.157CC..Hα-helixtrans-68.4-39.1179.2-55.50000112.9K11 E288 I289 S290 I294 F295 L296K11-S292 WeakPolarHBondContact CE-OG 3.18Å; K11-S292 PolarHBondContact NZ-OG 2.96Å; K11-S292 VanDerWaalsContact NZ-OG 3.09Å; E288-S292 WeakPolarHBondContact O-CB 3.17Å; E288-S292 PolarHBondContact O-N 3.16Å; E288-S292 PolarHBondContact O-OG 3.34Å; I289-S292 PolarHBondContact O-N 3.5Å; I289-S292 VanDerWaalsContact O-N 3.16Å; S290-S292 VanDerWaalsContact C-N 3.3Å; S290-S292 PolarHBondContact O-N 2.92Å; S292-I294 VanDerWaalsContact C-N 3.29Å; S292-F295 PolarHBondContact O-N 2.68Å; S292-L296 WeakPolarHBondContact O-CB 3.47Å; S292-L296 PolarHBondContact O-N 2.79Å
293V88.9Confident89.4Confident9 Ų928 Ų286%0.05514%0.14CC..Hα-helixtrans-60.6-43.6173.7167.10000110F3 L4 L66 I289 S290 E291 L296 F297F3-V293 HydrophobicContact CE1-CG1 4.12Å; F3-V293 HydrophobicContact CE1-CG2 4.17Å; L4-V293 HydrophobicContact CD2-CG2 3.51Å; L66-V293 HydrophobicContact CD1-CG1 4.13Å; L66-V293 HydrophobicContact CD2-CB 4.25Å; L66-V293 HydrophobicContact CD2-CG1 3.89Å; I289-V293 HydrophobicContact CG2-CG2 4.25Å; I289-V293 VanDerWaalsContact O-CG2 3.28Å; I289-V293 WeakPolarHBondContact O-CG2 3.37Å; I289-V293 PolarHBondContact O-N 3.34Å; S290-V293 WeakPolarHBondContact O-CB 3.24Å; S290-V293 PolarHBondContact O-N 3.43Å; E291-V293 PolarHBondContact O-N 2.89Å; V293-L296 PolarHBondContact O-N 3.13Å; V293-F297 HydrophobicContact CG1-CD2 3.51Å; V293-F297 HydrophobicContact CG1-CE2 3.43Å; V293-F297 VanDerWaalsContact CG1-CE2 3.43Å; V293-F297 WeakPolarHBondContact O-CD2 3.47Å; V293-F297 PolarHBondContact O-N 3.11Å
294I89.2Confident88.5Confident7 Ų729 Ų294%0.03615%0.153CC..Hα-helixtrans-61.2-50.4178.3-71163.2000111.5F62 L66 I70 S290 E291 S292 L296 F297 L298 A362F62-I294 HydrophobicContact CD2-CD1 4.14Å; F62-I294 HydrophobicContact CD2-CG1 4.23Å; F62-I294 HydrophobicContact CE2-CD1 3.78Å; F62-I294 HydrophobicContact CE2-CG1 4.23Å; L66-I294 HydrophobicContact CB-CD1 4.02Å; L66-I294 HydrophobicContact CB-CG1 4.14Å; L66-I294 HydrophobicContact CD1-CG1 3.89Å; I70-I294 HydrophobicContact CD1-CD1 3.43Å; I70-I294 VanDerWaalsContact CD1-CD1 3.43Å; S290-I294 WeakPolarHBondContact O-CD1 3.34Å; S290-I294 WeakPolarHBondContact O-CG1 3.48Å; S290-I294 PolarHBondContact O-N 3.25Å; E291-I294 WeakPolarHBondContact O-CB 3.3Å; E291-I294 PolarHBondContact O-N 2.95Å; S292-I294 VanDerWaalsContact C-N 3.29Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 2.91Å; I294-F297 PolarHBondContact O-N 3.5Å; I294-L298 PolarHBondContact O-N 3.02Å; I294-A362 HydrophobicContact CB-CB 4.4Å; I294-A362 HydrophobicContact CG2-CB 2.96Å
295F88.3Confident87.5Confident4 Ų425.7 Ų25.72%0.01814%0.142CC..Hα-helixtrans-64.3-35.1178.7-73.5-54.5000113.2S27 L30 I31 D141 E291 S292 L298 G299S27-F295 VanDerWaalsContact CB-CE2 3.48Å; S27-F295 VanDerWaalsContact OG-CE2 3.26Å; S27-F295 WeakPolarHBondContact OG-CE2 3.42Å; L30-F295 HydrophobicContact CB-CB 3.9Å; L30-F295 HydrophobicContact CD1-CB 4.41Å; I31-F295 HydrophobicContact CD1-CD1 4.15Å; I31-F295 HydrophobicContact CG1-CB 4.22Å; I31-F295 HydrophobicContact CG1-CD1 4.29Å; D141-F295 WeakPolarHBondContact OD2-CZ 3.49Å; E291-F295 HydrophobicContact CG-CD2 4.05Å; E291-F295 HydrophobicContact CG-CE2 3.61Å; E291-F295 VanDerWaalsContact O-CD2 3.29Å; E291-F295 WeakPolarHBondContact O-CD2 3.35Å; E291-F295 PolarHBondContact O-N 3.34Å; E291-F295 WeakPolarHBondContact OE1-CE2 3.25Å; S292-F295 PolarHBondContact O-N 2.68Å; F295-L298 WeakPolarHBondContact O-CB 3.36Å; F295-L298 PolarHBondContact O-N 3.48Å; F295-G299 PolarHBondContact O-N 3.4Å; F295-G299 VanDerWaalsContact O-N 3.08Å
296L88Confident86.7Confident4 Ų427.1 Ų27.12%0.02115%0.152CC..Hα-helixtrans-66.2-45.7174.8-161.5170.7000110.7F3 V7 S292 V293 I294 L298 G299 I300F3-L296 HydrophobicContact CD2-CD2 4.46Å; F3-L296 HydrophobicContact CE1-CD1 4.44Å; F3-L296 HydrophobicContact CE2-CD1 3.75Å; F3-L296 HydrophobicContact CE2-CD2 3.3Å; F3-L296 HydrophobicContact CE2-CG 4.09Å; F3-L296 HydrophobicContact CZ-CB 4.18Å; F3-L296 HydrophobicContact CZ-CD1 3.71Å; F3-L296 HydrophobicContact CZ-CD2 3.53Å; F3-L296 HydrophobicContact CZ-CG 4Å; V7-L296 HydrophobicContact CG2-CD1 3.52Å; S292-L296 WeakPolarHBondContact O-CB 3.47Å; S292-L296 PolarHBondContact O-N 2.79Å; V293-L296 PolarHBondContact O-N 3.13Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 2.91Å; L296-L298 VanDerWaalsContact C-N 3.28Å; L296-L298 PolarHBondContact O-N 3.4Å; L296-G299 WeakPolarHBondContact O-CA 3.38Å; L296-G299 PolarHBondContact O-N 3.02Å; L296-I300 HydrophobicContact CD2-CD1 3.35Å; L296-I300 HydrophobicContact CD2-CG1 3.77Å; L296-I300 PolarHBondContact O-N 2.97Å
297F86.9Confident86.1Confident20 Ų2028.4 Ų28.49%0.08816%0.159CC..Hα-helixtrans-60.4-38.1174.6-86.7-61.8000112.5F3 W55 F57 V293 I294 G299 I300 A301F3-F297 HydrophobicContact CE1-CE2 4.19Å; F3-F297 HydrophobicContact CE1-CZ 4.44Å; F3-F297 HydrophobicContact CZ-CD2 4.44Å; F3-F297 HydrophobicContact CZ-CE2 4.18Å; F3-F297 HydrophobicContact CZ-CZ 4.27Å; W55-F297 HydrophobicContact CB-CE1 4.4Å; W55-F297 HydrophobicContact CE3-CE1 4.43Å; W55-F297 HydrophobicContact CE3-CZ 4.36Å; F57-F297 HydrophobicContact CB-CB 4.35Å; F57-F297 HydrophobicContact CB-CD1 4.16Å; F57-F297 HydrophobicContact CB-CG 4.31Å; F57-F297 HydrophobicContact CD2-CB 3.71Å; F57-F297 HydrophobicContact CD2-CD1 4.37Å; F57-F297 AromaticContact CD2-CD2 3.86Å; F57-F297 HydrophobicContact CD2-CD2 3.86Å; F57-F297 AromaticContact CD2-CG 3.75Å; F57-F297 HydrophobicContact CD2-CG 3.75Å; F57-F297 HydrophobicContact CE2-CB 4.34Å; F57-F297 HydrophobicContact CE2-CD2 4.44Å; F57-F297 HydrophobicContact CG-CB 4.28Å; F57-F297 HydrophobicContact CG-CG 4.45Å; V293-F297 HydrophobicContact CG1-CD2 3.51Å; V293-F297 HydrophobicContact CG1-CE2 3.43Å; V293-F297 VanDerWaalsContact CG1-CE2 3.43Å; V293-F297 WeakPolarHBondContact O-CD2 3.47Å; V293-F297 PolarHBondContact O-N 3.11Å; I294-F297 PolarHBondContact O-N 3.5Å; F297-G299 VanDerWaalsContact C-N 3.28Å; F297-G299 PolarHBondContact O-N 2.84Å; F297-I300 HydrophobicContact CD1-CD1 4.28Å; F297-I300 PolarHBondContact O-N 3.31Å; F297-A301 WeakPolarHBondContact O-CB 3.41Å; F297-A301 PolarHBondContact O-N 3.29Å
298L89Confident85.6Confident0 Ų031.1 Ų31.10%017%0.17CC..Hα-helixtrans-59.5-40.9173.2-172.4140.5000111.4I31 I294 F295 L296 A301 V302 F365 I395 I396I31-L298 HydrophobicContact CD1-CD2 3.82Å; I31-L298 HydrophobicContact CG1-CD2 3.84Å; I31-L298 HydrophobicContact CG2-CD2 4.11Å; I294-L298 PolarHBondContact O-N 3.02Å; F295-L298 WeakPolarHBondContact O-CB 3.36Å; F295-L298 PolarHBondContact O-N 3.48Å; L296-L298 VanDerWaalsContact C-N 3.28Å; L296-L298 PolarHBondContact O-N 3.4Å; L298-A301 PolarHBondContact O-N 2.86Å; L298-V302 WeakPolarHBondContact O-CG2 3.48Å; L298-V302 PolarHBondContact O-N 3.46Å; L298-F365 HydrophobicContact CD1-CB 3.94Å; L298-F365 HydrophobicContact CD1-CD1 4.21Å; L298-F365 HydrophobicContact CD1-CG 3.99Å; L298-I395 HydrophobicContact CD1-CB 4.31Å; L298-I395 HydrophobicContact CD1-CD1 3.85Å; L298-I395 HydrophobicContact CD1-CG2 3.67Å; L298-I395 HydrophobicContact CD2-CG2 4.16Å; L298-I396 HydrophobicContact CD2-CG1 4.35Å
299G89Confident85.4Confident0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-64.3-41.1173.100000113.8I31 G34 I35 F295 L296 F297 A301 V302I31-G299 WeakPolarHBondContact O-CA 3.33Å; G34-G299 VanDerWaalsContact C-C 3.45Å; I35-G299 WeakPolarHBondContact CA-O 3.35Å; I35-G299 VanDerWaalsContact CG1-O 3.28Å; I35-G299 WeakPolarHBondContact CG1-O 3.23Å; I35-G299 PolarHBondContact N-O 2.96Å; F295-G299 PolarHBondContact O-N 3.4Å; F295-G299 VanDerWaalsContact O-N 3.08Å; L296-G299 WeakPolarHBondContact O-CA 3.38Å; L296-G299 PolarHBondContact O-N 3.02Å; F297-G299 VanDerWaalsContact C-N 3.28Å; F297-G299 PolarHBondContact O-N 2.84Å; G299-A301 VanDerWaalsContact C-N 3.33Å; G299-A301 PolarHBondContact O-N 2.82Å; G299-V302 WeakPolarHBondContact O-CB 3.42Å; G299-V302 WeakPolarHBondContact O-CG2 3.24Å; G299-V302 PolarHBondContact O-N 3.46Å
300I87.2Confident85.3Confident22 Ų2232 Ų3211%0.11317%0.167CC..Hα-helixtrans-63.8-41.3175.6-67.3168.8000110.7F3 G34 F37 L296 F297 V302 I303 G304F3-I300 HydrophobicContact CE2-CD1 3.94Å; G34-I300 WeakPolarHBondContact O-CG1 3.43Å; F37-I300 HydrophobicContact CD1-CD1 3.78Å; F37-I300 HydrophobicContact CD1-CG1 4.1Å; F37-I300 HydrophobicContact CE1-CD1 4.12Å; L296-I300 HydrophobicContact CD2-CD1 3.35Å; L296-I300 HydrophobicContact CD2-CG1 3.77Å; L296-I300 PolarHBondContact O-N 2.97Å; F297-I300 HydrophobicContact CD1-CD1 4.28Å; F297-I300 PolarHBondContact O-N 3.31Å; I300-V302 PolarHBondContact O-N 3.47Å; I300-I303 PolarHBondContact O-N 3.45Å; I300-G304 PolarHBondContact O-N 3.46Å
301A85.9Confident85.3Confident8 Ų835.1 Ų35.17%0.06619%0.185CC..Hα-helixtrans-61.7-27.5-177.400000113.4F297 L298 G299 I303 G304 E305 F365 L392F297-A301 WeakPolarHBondContact O-CB 3.41Å; F297-A301 PolarHBondContact O-N 3.29Å; L298-A301 PolarHBondContact O-N 2.86Å; G299-A301 VanDerWaalsContact C-N 3.33Å; G299-A301 PolarHBondContact O-N 2.82Å; A301-I303 PolarHBondContact O-N 2.8Å; A301-G304 PolarHBondContact O-N 3.36Å; A301-E305 HydrophobicContact CB-CG 4.27Å; A301-E305 WeakPolarHBondContact O-CB 3.18Å; A301-E305 PolarHBondContact O-N 2.85Å; A301-E305 VanDerWaalsContact O-N 3.08Å; A301-F365 HydrophobicContact CB-CE1 4.25Å; A301-F365 HydrophobicContact CB-CE2 3.81Å; A301-F365 HydrophobicContact CB-CZ 3.27Å; A301-L392 HydrophobicContact CB-CD1 4.37Å
302V86.9Confident85.4Confident31 Ų3133.6 Ų33.619%0.18818%0.182CC..Hα-helixtrans-55.6-33.2173.5-171.30000111.9I35 L298 G299 I300 L307 L392 I396I35-V302 HydrophobicContact CD1-CG2 4.07Å; I35-V302 HydrophobicContact CG1-CB 4.12Å; I35-V302 HydrophobicContact CG1-CG2 3.84Å; L298-V302 WeakPolarHBondContact O-CG2 3.48Å; L298-V302 PolarHBondContact O-N 3.46Å; G299-V302 WeakPolarHBondContact O-CB 3.42Å; G299-V302 WeakPolarHBondContact O-CG2 3.24Å; G299-V302 PolarHBondContact O-N 3.46Å; I300-V302 PolarHBondContact O-N 3.47Å; V302-L307 WeakPolarHBondContact O-CD1 3.14Å; V302-L392 HydrophobicContact CB-CD1 4.32Å; V302-L392 HydrophobicContact CB-CD2 4.43Å; V302-L392 HydrophobicContact CG1-CD2 4.23Å; V302-L392 HydrophobicContact CG2-CD1 3.95Å; V302-L392 HydrophobicContact CG2-CD2 3.96Å; V302-L392 HydrophobicContact CG2-CG 4.21Å; V302-I396 HydrophobicContact CG1-CD1 4.43Å; V302-I396 HydrophobicContact CG2-CD1 3.69Å
303I84.5Confident85.5Confident22 Ų2233.8 Ų33.811%0.11318%0.183CC..Hα-helixtrans-105.1-30.6-176-62.6173.6000111.4I35 A39 R42 I300 A301I35-I303 HydrophobicContact CB-CD1 4.44Å; I35-I303 HydrophobicContact CG2-CD1 3.78Å; I35-I303 HydrophobicContact CG2-CG1 4.41Å; I35-I303 WeakPolarHBondContact O-CD1 3.49Å; A39-I303 HydrophobicContact CB-CD1 3.63Å; R42-I303 HydrophobicContact CB-CG2 3.97Å; R42-I303 HydrophobicContact CG-CG2 4.32Å; R42-I303 PolarHBondContact NH1-O 3.29Å; I300-I303 PolarHBondContact O-N 3.45Å; A301-I303 PolarHBondContact O-N 2.8Å
304G75.1Confident85.8Confident30 Ų3033.4 Ų33.431%0.30918%0.18SC..Hα-helixtrans-77.5-34.7-176.300000114.2I300 A301I300-G304 PolarHBondContact O-N 3.46Å; A301-G304 PolarHBondContact O-N 3.36Å
305E73.4Confident86Confident59 Ų5937.5 Ų37.528%0.27620%0.202SC..SBendtrans-86.9151.3-175-64-59.6152.700112.7A301 L307A301-E305 HydrophobicContact CB-CG 4.27Å; A301-E305 WeakPolarHBondContact O-CB 3.18Å; A301-E305 PolarHBondContact O-N 2.85Å; A301-E305 VanDerWaalsContact O-N 3.08Å; E305-L307 PolarHBondContact O-N 3.22Å
306T75.6Confident86.3Confident110 Ų11041.4 Ų41.468%0.67522%0.216SC*.  trans-75.894.1173.7480000110K308T306-K308 PolarHBondContact O-N 3.17Å
307L80.3Confident86.7Confident79 Ų7941.3 Ų41.341%0.41422%0.216SC..  trans-75.2121.6-178.7-59.6174.1000111.4V302 E305 T389 L392V302-L307 WeakPolarHBondContact O-CD1 3.14Å; E305-L307 PolarHBondContact O-N 3.22Å; L307-T389 WeakPolarHBondContact CA-OG1 3.47Å; L307-T389 HydrophobicContact CB-CG2 4.16Å; L307-T389 HydrophobicContact CD2-CG2 4.05Å; L307-T389 WeakPolarHBondContact CD2-OG1 3.08Å; L307-L392 HydrophobicContact CD2-CD1 4.47Å
308K82.6Confident87.1Confident61 Ų6141.4 Ų41.427%0.26522%0.217SC..  trans-101.5107.5170.7-173.3168.1179.2167.40109.2T306 E382 T389T306-K308 PolarHBondContact O-N 3.17Å; K308-E382 HydrophobicContact CD-CB 3.99Å; K308-E382 IonicContact NZ-OE1 2.71Å; K308-E382 PolarHBondContact NZ-OE1 2.98Å; K308-E382 IonicContact NZ-OE2 2.8Å; K308-E382 PolarHBondContact NZ-OE2 3.34Å; K308-T389 PolarHBondContact N-OG1 3.11Å; K308-T389 VanDerWaalsContact N-OG1 3.13Å
309W85.3Confident87.4Confident144 Ų14445 Ų4555%0.54524%0.236SC..  trans-82122.5-176.2-170.6-91.1000111.9T311 I314 T389 F393W309-T311 PolarHBondContact NE1-OG1 3.1Å; W309-I314 HydrophobicContact CD2-CD1 3.91Å; W309-I314 HydrophobicContact CE3-CD1 3.8Å; W309-I314 HydrophobicContact CH2-CD1 4.21Å; W309-I314 HydrophobicContact CZ2-CD1 4.31Å; W309-I314 HydrophobicContact CZ3-CD1 3.96Å; W309-T389 HydrophobicContact CE3-CG2 4.44Å; W309-F393 AromaticContact CH2-CD2 3.86Å; W309-F393 HydrophobicContact CH2-CD2 3.86Å; W309-F393 AromaticContact CH2-CE2 3.84Å; W309-F393 HydrophobicContact CH2-CE2 3.84Å; W309-F393 HydrophobicContact CZ3-CD2 4.07Å; W309-F393 HydrophobicContact CZ3-CE2 4.47Å
310H87.7Confident87.7Confident4 Ų445.6 Ų45.62%0.01924%0.239CC..  trans-133.198.7171.9-174.7-63000110.1L118 P121 G312 Y313 I314 L386L118-H310 PolarHBondContact O-CE1 3.26Å; P121-H310 PolarHBondContact O-CD2 3.43Å; P121-H310 PolarHBondContact O-NE2 2.95Å; P121-H310 VanDerWaalsContact O-NE2 3.17Å; H310-G312 PolarHBondContact O-N 3.29Å; H310-Y313 WeakPolarHBondContact ND1-CB 3.42Å; H310-Y313 PolarHBondContact ND1-N 3.2Å; H310-Y313 PolarHBondContact O-N 2.84Å; H310-I314 WeakPolarHBondContact O-CG1 3.33Å; H310-I314 PolarHBondContact O-N 2.99Å; H310-I314 VanDerWaalsContact O-N 3.11Å; H310-L386 HydrophobicContact CB-CD1 3.7Å; H310-L386 HydrophobicContact CB-CG 4.45Å
311T90.3Very high88.1Confident74 Ų7444.8 Ų44.845%0.45424%0.236SC..Hα-helixtrans-54.8-46.8-169.6-53.50000113.5W309 I314 L315W309-T311 PolarHBondContact NE1-OG1 3.1Å; T311-I314 PolarHBondContact O-N 3.41Å; T311-L315 HydrophobicContact CG2-CD1 3.72Å; T311-L315 HydrophobicContact CG2-CG 4.32Å; T311-L315 WeakPolarHBondContact O-CB 3.25Å; T311-L315 WeakPolarHBondContact O-CG 3.45Å; T311-L315 PolarHBondContact O-N 3.44Å
312G91Very high88.5Confident15 Ų1547.2 Ų47.216%0.15525%0.247CC..Hα-helixtrans-68.5-49.2-175.900000112.8L118 H310 I314 L315 W316L118-G312 VanDerWaalsContact O-CA 3.28Å; L118-G312 WeakPolarHBondContact O-CA 3.43Å; H310-G312 PolarHBondContact O-N 3.29Å; G312-I314 VanDerWaalsContact C-N 3.31Å; G312-I314 PolarHBondContact O-N 3.43Å; G312-L315 PolarHBondContact O-N 3.14Å; G312-W316 VanDerWaalsContact O-CB 3.25Å; G312-W316 WeakPolarHBondContact O-CB 3.44Å; G312-W316 VanDerWaalsContact O-CD1 3.23Å; G312-W316 PolarHBondContact O-N 3.38Å
313Y91.6Very high88.9Confident7 Ų749.2 Ų49.23%0.02726%0.256CS..Hα-helixtrans-52.1-46.6173.5-168.5-84.2000112.9M109 L118 I123 F130 F133 H310 S317 L386 T390M109-Y313 HydrophobicContact CE-CD2 3.76Å; M109-Y313 HydrophobicContact CE-CE1 4.48Å; M109-Y313 HydrophobicContact CE-CE2 3.74Å; M109-Y313 HydrophobicContact CE-CG 4.18Å; L118-Y313 VanDerWaalsContact CD2-CA 3.44Å; L118-Y313 HydrophobicContact CD2-CD2 3.96Å; L118-Y313 HydrophobicContact CD2-CG 4.32Å; I123-Y313 HydrophobicContact CD1-CD2 4.15Å; F130-Y313 HydrophobicContact CD1-CE2 4.15Å; F130-Y313 HydrophobicContact CE1-CD2 4.28Å; F130-Y313 AromaticContact CE1-CE2 3.64Å; F130-Y313 HydrophobicContact CE1-CE2 3.64Å; F133-Y313 WeakPolarHBondContact CD1-OH 2.89Å; F133-Y313 HydrophobicContact CE1-CE1 4.3Å; F133-Y313 HydrophobicContact CE2-CE1 4.35Å; F133-Y313 WeakPolarHBondContact CG-OH 3.42Å; F133-Y313 HydrophobicContact CZ-CE1 4.21Å; H310-Y313 WeakPolarHBondContact ND1-CB 3.42Å; H310-Y313 PolarHBondContact ND1-N 3.2Å; H310-Y313 PolarHBondContact O-N 2.84Å; Y313-S317 WeakPolarHBondContact O-CB 3.48Å; Y313-S317 PolarHBondContact O-N 3.18Å; Y313-S317 PolarHBondContact O-OG 2.95Å; Y313-L386 HydrophobicContact CD1-CD2 3.47Å; Y313-L386 VanDerWaalsContact CD1-CD2 3.47Å; Y313-L386 HydrophobicContact CD1-CG 4.4Å; Y313-L386 HydrophobicContact CD2-CD2 3.96Å; Y313-L386 HydrophobicContact CE1-CD2 3.44Å; Y313-L386 VanDerWaalsContact CE1-CD2 3.44Å; Y313-L386 HydrophobicContact CE2-CD2 3.92Å; Y313-L386 HydrophobicContact CG-CD2 3.74Å; Y313-T390 HydrophobicContact CD1-CG2 3.8Å; Y313-T390 WeakPolarHBondContact CD1-OG1 3.44Å; Y313-T390 HydrophobicContact CE1-CG2 3.75Å; Y313-T390 WeakPolarHBondContact CE1-OG1 3.35Å
314I93.9Very high89.4Confident0 Ų048.2 Ų48.20%025%0.251CS..Hα-helixtrans-66.5-50.9-178.5-64.2167.8000111.3W309 H310 T311 G312 S317 L318 T389 T390 F393W309-I314 HydrophobicContact CD2-CD1 3.91Å; W309-I314 HydrophobicContact CE3-CD1 3.8Å; W309-I314 HydrophobicContact CH2-CD1 4.21Å; W309-I314 HydrophobicContact CZ2-CD1 4.31Å; W309-I314 HydrophobicContact CZ3-CD1 3.96Å; H310-I314 WeakPolarHBondContact O-CG1 3.33Å; H310-I314 PolarHBondContact O-N 2.99Å; H310-I314 VanDerWaalsContact O-N 3.11Å; T311-I314 PolarHBondContact O-N 3.41Å; G312-I314 VanDerWaalsContact C-N 3.31Å; G312-I314 PolarHBondContact O-N 3.43Å; I314-S317 PolarHBondContact O-N 2.93Å; I314-L318 WeakPolarHBondContact O-CB 3.43Å; I314-L318 PolarHBondContact O-N 3.11Å; I314-T389 HydrophobicContact CD1-CG2 4.22Å; I314-T390 HydrophobicContact CG1-CG2 4.25Å; I314-T390 WeakPolarHBondContact CG1-OG1 3.33Å; I314-F393 HydrophobicContact CG2-CB 3.99Å; I314-F393 HydrophobicContact CG2-CD1 3.14Å; I314-F393 HydrophobicContact CG2-CD2 4.37Å; I314-F393 HydrophobicContact CG2-CE1 3.61Å; I314-F393 HydrophobicContact CG2-CG 3.57Å; I314-F393 HydrophobicContact CG2-CZ 4.4Å
315L94.3Very high90.3Very high94 Ų9447.7 Ų47.749%0.49224%0.239SC..Hα-helixtrans-68.3-42.3-176.5-69.8-179.5000112.3T311 G312 L318 L319T311-L315 HydrophobicContact CG2-CD1 3.72Å; T311-L315 HydrophobicContact CG2-CG 4.32Å; T311-L315 WeakPolarHBondContact O-CB 3.25Å; T311-L315 WeakPolarHBondContact O-CG 3.45Å; T311-L315 PolarHBondContact O-N 3.44Å; G312-L315 PolarHBondContact O-N 3.14Å; L315-L318 PolarHBondContact O-N 2.79Å; L315-L319 WeakPolarHBondContact O-CB 3.26Å; L315-L319 PolarHBondContact O-N 2.83Å
316W94.9Very high91.3Very high86 Ų8650 Ų5033%0.32625%0.249SC..Hα-helixtrans-65-42.7175-79.5116.8000111.5M109 L112 A117 G312 L318 L319 I320M109-W316 HydrophobicContact SD-CB 4.3Å; L112-W316 HydrophobicContact CD1-CB 4.01Å; L112-W316 HydrophobicContact CD1-CD2 3.81Å; L112-W316 HydrophobicContact CD1-CE3 3.65Å; L112-W316 HydrophobicContact CD1-CG 3.98Å; L112-W316 HydrophobicContact CD1-CZ3 4.36Å; L112-W316 HydrophobicContact CD2-CD2 4.28Å; L112-W316 HydrophobicContact CD2-CE3 4.23Å; L112-W316 HydrophobicContact CD2-CH2 4.37Å; L112-W316 HydrophobicContact CD2-CZ2 4.4Å; L112-W316 HydrophobicContact CD2-CZ3 4.28Å; A117-W316 PolarHBondContact O-NE1 3.33Å; G312-W316 VanDerWaalsContact O-CB 3.25Å; G312-W316 WeakPolarHBondContact O-CB 3.44Å; G312-W316 VanDerWaalsContact O-CD1 3.23Å; G312-W316 PolarHBondContact O-N 3.38Å; W316-L318 VanDerWaalsContact C-N 3.32Å; W316-L318 PolarHBondContact O-N 3.05Å; W316-L319 HydrophobicContact CE3-CD2 3.96Å; W316-L319 HydrophobicContact CZ3-CD2 3.77Å; W316-L319 PolarHBondContact O-N 3.38Å; W316-I320 HydrophobicContact CE3-CD1 4.44Å; W316-I320 HydrophobicContact CE3-CG1 4.47Å; W316-I320 WeakPolarHBondContact O-CB 3.31Å; W316-I320 VanDerWaalsContact O-CG1 3.26Å; W316-I320 WeakPolarHBondContact O-CG1 3.46Å; W316-I320 PolarHBondContact O-N 3.2Å
317S95.2Very high92.3Very high1 Ų148.2 Ų48.21%0.00723%0.234CC..Hα-helixtrans-58.5-44.8176.4-640000111.8M109 F133 Y313 I314 C321M109-S317 WeakPolarHBondContact CE-OG 3.29Å; F133-S317 WeakPolarHBondContact CE1-OG 3.39Å; Y313-S317 WeakPolarHBondContact O-CB 3.48Å; Y313-S317 PolarHBondContact O-N 3.18Å; Y313-S317 PolarHBondContact O-OG 2.95Å; I314-S317 PolarHBondContact O-N 2.93Å; S317-C321 WeakPolarHBondContact O-CB 3.4Å; S317-C321 PolarHBondContact O-N 3.02Å
318L95.6Very high92.9Very high22 Ų2244.8 Ų44.812%0.11522%0.216CC..Hα-helixtrans-61.1-50.1175.3-176.8161000111.1I314 L315 W316 C321 L322 F393 I394 F397I314-L318 WeakPolarHBondContact O-CB 3.43Å; I314-L318 PolarHBondContact O-N 3.11Å; L315-L318 PolarHBondContact O-N 2.79Å; W316-L318 VanDerWaalsContact C-N 3.32Å; W316-L318 PolarHBondContact O-N 3.05Å; L318-C321 WeakPolarHBondContact O-CB 3.18Å; L318-C321 PolarHBondContact O-N 3.39Å; L318-L322 HydrophobicContact CD2-CD1 3.79Å; L318-L322 HydrophobicContact CD2-CG 4.37Å; L318-L322 WeakPolarHBondContact O-CG 3.45Å; L318-L322 PolarHBondContact O-N 2.96Å; L318-L322 VanDerWaalsContact O-N 3.11Å; L318-F393 HydrophobicContact CD1-CD1 4.3Å; L318-F393 HydrophobicContact CD1-CE1 3.71Å; L318-I394 HydrophobicContact CB-CG1 4.31Å; L318-F397 HydrophobicContact CD1-CB 4.11Å; L318-F397 HydrophobicContact CD1-CD1 3.55Å; L318-F397 HydrophobicContact CD1-CD2 4.1Å; L318-F397 HydrophobicContact CD1-CE1 3.93Å; L318-F397 HydrophobicContact CD1-CE2 4.44Å; L318-F397 HydrophobicContact CD1-CG 3.64Å; L318-F397 HydrophobicContact CD1-CZ 4.36Å; L318-F397 HydrophobicContact CD2-CD1 4.45Å; L318-F397 HydrophobicContact CD2-CE1 4.13Å; L318-F397 HydrophobicContact CG-CD1 4.2Å; L318-F397 HydrophobicContact CG-CE1 4.37Å
319L95.6Very high93.4Very high76 Ų7641.9 Ų41.940%0.39820%0.204SC..Hα-helixtrans-62.6-47.4-177.5-177.763.4000111.9L315 W316 C321 L322 I323L315-L319 WeakPolarHBondContact O-CB 3.26Å; L315-L319 PolarHBondContact O-N 2.83Å; W316-L319 HydrophobicContact CE3-CD2 3.96Å; W316-L319 HydrophobicContact CZ3-CD2 3.77Å; W316-L319 PolarHBondContact O-N 3.38Å; L319-C321 VanDerWaalsContact C-N 3.33Å; L319-C321 PolarHBondContact O-N 3.13Å; L319-L322 PolarHBondContact O-N 2.87Å; L319-I323 HydrophobicContact CD1-CD1 3.94Å; L319-I323 HydrophobicContact CD1-CG1 4.36Å; L319-I323 HydrophobicContact CD2-CD1 4.4Å; L319-I323 HydrophobicContact CG-CD1 3.75Å; L319-I323 HydrophobicContact CG-CG1 4.5Å; L319-I323 VanDerWaalsContact O-CG1 3.31Å; L319-I323 WeakPolarHBondContact O-CG1 3.29Å; L319-I323 PolarHBondContact O-N 3.4Å
320I95.8Very high93.8Very high12 Ų1237.5 Ų37.56%0.06219%0.191CC..Hα-helixtrans-65.5-38.1179-65.9-49.3000111.2I105 I108 L112 W316 L322 I323 T324I105-I320 HydrophobicContact CB-CG2 4.48Å; I105-I320 HydrophobicContact CG1-CG2 4.24Å; I108-I320 HydrophobicContact CB-CG2 4.08Å; I108-I320 HydrophobicContact CD1-CG2 4.31Å; I108-I320 HydrophobicContact CG2-CD1 3.55Å; I108-I320 HydrophobicContact CG2-CG1 3.8Å; I108-I320 HydrophobicContact CG2-CG2 3.94Å; L112-I320 HydrophobicContact CD1-CD1 4.27Å; L112-I320 HydrophobicContact CD1-CG1 3.9Å; W316-I320 HydrophobicContact CE3-CD1 4.44Å; W316-I320 HydrophobicContact CE3-CG1 4.47Å; W316-I320 WeakPolarHBondContact O-CB 3.31Å; W316-I320 VanDerWaalsContact O-CG1 3.26Å; W316-I320 WeakPolarHBondContact O-CG1 3.46Å; W316-I320 PolarHBondContact O-N 3.2Å; I320-L322 VanDerWaalsContact C-N 3.33Å; I320-L322 PolarHBondContact O-N 2.9Å; I320-I323 PolarHBondContact O-N 3.08Å; I320-T324 WeakPolarHBondContact O-CB 2.92Å; I320-T324 PolarHBondContact O-N 2.87Å; I320-T324 PolarHBondContact O-OG1 3.38Å
321C94.8Very high94.1Very high6 Ų641.4 Ų41.44%0.04121%0.211CC..Hα-helixtrans-57.1-45.6173.4174.30000111.7S317 L318 L319 R325 R360S317-C321 WeakPolarHBondContact O-CB 3.4Å; S317-C321 PolarHBondContact O-N 3.02Å; L318-C321 WeakPolarHBondContact O-CB 3.18Å; L318-C321 PolarHBondContact O-N 3.39Å; L319-C321 VanDerWaalsContact C-N 3.33Å; L319-C321 PolarHBondContact O-N 3.13Å; C321-R325 WeakPolarHBondContact O-CB 3.4Å; C321-R325 PolarHBondContact O-N 3.48Å; C321-R325 VanDerWaalsContact O-N 3.12Å; C321-R360 VanDerWaalsContact SG-CZ 3.52Å; C321-R360 PolarHBondContact SG-NE 3.27Å; C321-R360 PolarHBondContact SG-NH2 3.28Å
322L94.4Very high94.1Very high58 Ų5837.9 Ų37.930%0.30419%0.189SC..Hα-helixtrans-69.1-45177.7-64.6-176.7000112.8L318 L319 I320 R325 F326 M402L318-L322 HydrophobicContact CD2-CD1 3.79Å; L318-L322 HydrophobicContact CD2-CG 4.37Å; L318-L322 WeakPolarHBondContact O-CG 3.45Å; L318-L322 PolarHBondContact O-N 2.96Å; L318-L322 VanDerWaalsContact O-N 3.11Å; L319-L322 PolarHBondContact O-N 2.87Å; I320-L322 VanDerWaalsContact C-N 3.33Å; I320-L322 PolarHBondContact O-N 2.9Å; L322-R325 PolarHBondContact O-N 3.37Å; L322-F326 PolarHBondContact O-N 3.34Å; L322-M402 HydrophobicContact CD1-CE 3.8Å; L322-M402 HydrophobicContact CD2-CE 3.39Å; L322-M402 HydrophobicContact CD2-SD 3.92Å; L322-M402 HydrophobicContact CG-CE 4.25Å
323I95.3Very high94.1Very high73 Ų7337.2 Ų37.237%0.37418%0.182SC..Hα-helixtrans-63.6-46.3179.7-69.7170.5000110.7L319 I320 R325 F326 I327L319-I323 HydrophobicContact CD1-CD1 3.94Å; L319-I323 HydrophobicContact CD1-CG1 4.36Å; L319-I323 HydrophobicContact CD2-CD1 4.4Å; L319-I323 HydrophobicContact CG-CD1 3.75Å; L319-I323 HydrophobicContact CG-CG1 4.5Å; L319-I323 VanDerWaalsContact O-CG1 3.31Å; L319-I323 WeakPolarHBondContact O-CG1 3.29Å; L319-I323 PolarHBondContact O-N 3.4Å; I320-I323 PolarHBondContact O-N 3.08Å; I323-R325 VanDerWaalsContact C-N 3.33Å; I323-R325 PolarHBondContact O-N 3.45Å; I323-F326 WeakPolarHBondContact O-CB 3.39Å; I323-F326 PolarHBondContact O-N 3.47Å; I323-I327 HydrophobicContact CG2-CD1 3.72Å; I323-I327 HydrophobicContact CG2-CG1 4.44Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 3.36Å
324T95.3Very high93.9Very high1 Ų140.5 Ų40.51%0.00621%0.206CC..Hα-helixtrans-64.8-41.2-178.8-53.10000110.7N101 L104 I105 I320 F326 I327 I328N101-T324 WeakPolarHBondContact OD1-CB 3.22Å; N101-T324 WeakPolarHBondContact OD1-CG2 3.34Å; L104-T324 HydrophobicContact CB-CG2 3.46Å; L104-T324 VanDerWaalsContact CB-CG2 3.46Å; L104-T324 HydrophobicContact CD1-CG2 3.79Å; L104-T324 HydrophobicContact CG-CG2 4.27Å; I105-T324 HydrophobicContact CG1-CG2 4.1Å; I320-T324 WeakPolarHBondContact O-CB 2.92Å; I320-T324 PolarHBondContact O-N 2.87Å; I320-T324 PolarHBondContact O-OG1 3.38Å; T324-F326 PolarHBondContact O-N 3.29Å; T324-I327 PolarHBondContact O-N 2.96Å; T324-I328 HydrophobicContact CG2-CD1 3.59Å; T324-I328 HydrophobicContact CG2-CG1 4.16Å; T324-I328 WeakPolarHBondContact O-CB 3.5Å; T324-I328 VanDerWaalsContact O-CG1 3.3Å; T324-I328 WeakPolarHBondContact O-CG1 3.17Å; T324-I328 PolarHBondContact O-N 2.72Å
325R94Very high93.6Very high19 Ų1943.1 Ų43.17%0.07222%0.22CC..Hα-helixtrans-57.6-47.5172.8-177.966.2178.5171.71.5111.7E165 C321 L322 I323 I327 I328 V329 L354E165-R325 IonicContact OE1-CZ 3.65Å; E165-R325 IonicContact OE1-NH1 3.69Å; E165-R325 PolarHBondContact OE1-NH1 3.14Å; E165-R325 IonicContact OE1-NH2 3.53Å; E165-R325 PolarHBondContact OE1-NH2 3.47Å; E165-R325 IonicContact OE2-NH2 2.84Å; E165-R325 PolarHBondContact OE2-NH2 2.88Å; C321-R325 WeakPolarHBondContact O-CB 3.4Å; C321-R325 PolarHBondContact O-N 3.48Å; C321-R325 VanDerWaalsContact O-N 3.12Å; L322-R325 PolarHBondContact O-N 3.37Å; I323-R325 VanDerWaalsContact C-N 3.33Å; I323-R325 PolarHBondContact O-N 3.45Å; R325-I327 PolarHBondContact O-N 3.24Å; R325-I328 PolarHBondContact O-N 3.41Å; R325-V329 HydrophobicContact CG-CG2 4.42Å; R325-V329 WeakPolarHBondContact O-CB 3.26Å; R325-V329 VanDerWaalsContact O-CG2 3.3Å; R325-V329 WeakPolarHBondContact O-CG2 3.15Å; R325-V329 PolarHBondContact O-N 3.25Å; R325-L354 PolarHBondContact NE-O 2.88Å; R325-L354 PolarHBondContact NH2-O 3.4Å
326F94.5Very high93.3Very high108 Ų10838.7 Ų38.747%0.47420%0.196SC..Hα-helixtrans-56.8-50.4177178.5-91.4000111.6L322 I323 T324 L330 I355L322-F326 PolarHBondContact O-N 3.34Å; I323-F326 WeakPolarHBondContact O-CB 3.39Å; I323-F326 PolarHBondContact O-N 3.47Å; T324-F326 PolarHBondContact O-N 3.29Å; F326-L330 HydrophobicContact CD1-CD1 3.92Å; F326-L330 HydrophobicContact CE1-CD1 3.41Å; F326-L330 VanDerWaalsContact CE1-CD1 3.41Å; F326-L330 HydrophobicContact CE2-CD1 4.22Å; F326-L330 HydrophobicContact CZ-CD1 3.57Å; F326-L330 VanDerWaalsContact O-CG 3.3Å; F326-L330 WeakPolarHBondContact O-CG 3.2Å; F326-L330 PolarHBondContact O-N 2.92Å; F326-I355 HydrophobicContact CB-CG2 4.23Å; F326-I355 HydrophobicContact CD2-CD1 3.77Å; F326-I355 HydrophobicContact CD2-CG2 4.13Å; F326-I355 HydrophobicContact CE2-CD1 4.16Å; F326-I355 HydrophobicContact CG-CD1 4.5Å
327I95Very high92.8Very high72 Ų7236.8 Ų36.837%0.36919%0.193SC..Hα-helixtrans-63-48.9-178.8-67.3168.6000111.1I323 T324 R325 L330 I331I323-I327 HydrophobicContact CG2-CD1 3.72Å; I323-I327 HydrophobicContact CG2-CG1 4.44Å; I323-I327 WeakPolarHBondContact O-CG1 3.4Å; I323-I327 PolarHBondContact O-N 3.36Å; T324-I327 PolarHBondContact O-N 2.96Å; R325-I327 PolarHBondContact O-N 3.24Å; I327-L330 PolarHBondContact O-N 2.86Å; I327-I331 HydrophobicContact CG2-CD1 3.59Å; I327-I331 HydrophobicContact CG2-CG1 4.36Å; I327-I331 WeakPolarHBondContact O-CG1 3.31Å; I327-I331 PolarHBondContact O-N 3.44Å
328I94.6Very high92.2Very high7 Ų743.4 Ų43.44%0.03623%0.227CC..Hα-helixtrans-67.2-43.7-174.6-70.5177.1000111.7F100 N101 L104 T324 R325 L330 I331 M332F100-I328 VanDerWaalsContact C-CD1 3.44Å; F100-I328 HydrophobicContact CB-CD1 3.86Å; F100-I328 HydrophobicContact CB-CG1 4.36Å; N101-I328 HydrophobicContact CB-CD1 3.51Å; L104-I328 HydrophobicContact CD1-CD1 4.14Å; L104-I328 HydrophobicContact CD1-CG1 4.12Å; T324-I328 HydrophobicContact CG2-CD1 3.59Å; T324-I328 HydrophobicContact CG2-CG1 4.16Å; T324-I328 WeakPolarHBondContact O-CB 3.5Å; T324-I328 VanDerWaalsContact O-CG1 3.3Å; T324-I328 WeakPolarHBondContact O-CG1 3.17Å; T324-I328 PolarHBondContact O-N 2.72Å; R325-I328 PolarHBondContact O-N 3.41Å; I328-L330 PolarHBondContact O-N 2.86Å; I328-I331 PolarHBondContact O-N 3.16Å; I328-M332 HydrophobicContact CG2-CE 4.46Å; I328-M332 HydrophobicContact CG2-CG 3.96Å; I328-M332 WeakPolarHBondContact O-CB 3.32Å; I328-M332 VanDerWaalsContact O-CG 3.29Å; I328-M332 WeakPolarHBondContact O-CG 3.44Å; I328-M332 PolarHBondContact O-N 3.3Å
329V93.2Very high91.3Very high1 Ų147.4 Ų47.41%0.00625%0.247CC..Hα-helixtrans-61.8-38.4178.9172.30000110.4F93 R325 T333 L354 I355F93-V329 HydrophobicContact CE1-CG1 4.3Å; R325-V329 HydrophobicContact CG-CG2 4.42Å; R325-V329 WeakPolarHBondContact O-CB 3.26Å; R325-V329 VanDerWaalsContact O-CG2 3.3Å; R325-V329 WeakPolarHBondContact O-CG2 3.15Å; R325-V329 PolarHBondContact O-N 3.25Å; V329-T333 WeakPolarHBondContact O-CB 3.44Å; V329-T333 PolarHBondContact O-N 3.37Å; V329-T333 PolarHBondContact O-OG1 2.96Å; V329-L354 HydrophobicContact CG1-CB 3.85Å; V329-I355 HydrophobicContact CB-CD1 4.45Å; V329-I355 HydrophobicContact CB-CG1 3.66Å; V329-I355 HydrophobicContact CG1-CD1 4.32Å; V329-I355 HydrophobicContact CG1-CG1 3.65Å; V329-I355 HydrophobicContact CG2-CG1 4.15Å
330L93.3Very high90.1Very high52 Ų5247.3 Ų47.327%0.27225%0.248SC..Hα-helixtrans-65.8-43.8174.7-69.9178.3000112.5F326 I327 I328 T333 S334 I355F326-L330 HydrophobicContact CD1-CD1 3.92Å; F326-L330 HydrophobicContact CE1-CD1 3.41Å; F326-L330 VanDerWaalsContact CE1-CD1 3.41Å; F326-L330 HydrophobicContact CE2-CD1 4.22Å; F326-L330 HydrophobicContact CZ-CD1 3.57Å; F326-L330 VanDerWaalsContact O-CG 3.3Å; F326-L330 WeakPolarHBondContact O-CG 3.2Å; F326-L330 PolarHBondContact O-N 2.92Å; I327-L330 PolarHBondContact O-N 2.86Å; I328-L330 PolarHBondContact O-N 2.86Å; L330-T333 PolarHBondContact O-N 3.37Å; L330-S334 VanDerWaalsContact O-CB 3.28Å; L330-S334 WeakPolarHBondContact O-CB 3.44Å; L330-S334 PolarHBondContact O-N 2.9Å; L330-I355 HydrophobicContact CD2-CD1 4.45Å; L330-I355 HydrophobicContact CG-CD1 4.44Å
331I93.1Very high88.6Confident85 Ų8548.3 Ų48.344%0.43625%0.253SS..Hα-helixtrans-62.5-50.1177-69.5170.2000110.4I327 I328 T333 S334 I335I327-I331 HydrophobicContact CG2-CD1 3.59Å; I327-I331 HydrophobicContact CG2-CG1 4.36Å; I327-I331 WeakPolarHBondContact O-CG1 3.31Å; I327-I331 PolarHBondContact O-N 3.44Å; I328-I331 PolarHBondContact O-N 3.16Å; I331-T333 VanDerWaalsContact C-N 3.33Å; I331-T333 PolarHBondContact O-N 3.24Å; I331-S334 WeakPolarHBondContact O-CB 3.39Å; I331-S334 PolarHBondContact O-N 3.19Å; I331-I335 HydrophobicContact CG2-CD1 3.85Å; I331-I335 VanDerWaalsContact O-CG1 3.31Å; I331-I335 WeakPolarHBondContact O-CG1 3.26Å; I331-I335 PolarHBondContact O-N 3.06Å
332M91.1Very high87.1Confident1 Ų149.5 Ų49.51%0.00526%0.258CS..Hα-helixtrans-62.4-42.2179.9-68.7-58.2152.700111.4I92 F93 L96 F100 I328 S334 I335 V336I92-M332 HydrophobicContact CG2-SD 3.65Å; F93-M332 HydrophobicContact CD1-CB 3.96Å; F93-M332 HydrophobicContact CE1-CB 3.6Å; F93-M332 HydrophobicContact CE2-CB 4.4Å; F93-M332 HydrophobicContact CG-CB 4.49Å; F93-M332 HydrophobicContact CZ-CB 3.85Å; L96-M332 HydrophobicContact CB-CE 3.88Å; L96-M332 HydrophobicContact CB-SD 4.1Å; L96-M332 HydrophobicContact CD2-CE 4.46Å; L96-M332 HydrophobicContact CG-CE 4.47Å; F100-M332 HydrophobicContact CD2-CE 3.39Å; F100-M332 HydrophobicContact CE2-CE 3.84Å; F100-M332 HydrophobicContact CG-CE 4.45Å; I328-M332 HydrophobicContact CG2-CE 4.46Å; I328-M332 HydrophobicContact CG2-CG 3.96Å; I328-M332 WeakPolarHBondContact O-CB 3.32Å; I328-M332 VanDerWaalsContact O-CG 3.29Å; I328-M332 WeakPolarHBondContact O-CG 3.44Å; I328-M332 PolarHBondContact O-N 3.3Å; M332-S334 VanDerWaalsContact C-N 3.34Å; M332-S334 PolarHBondContact O-N 2.6Å; M332-I335 PolarHBondContact O-N 3.38Å; M332-I335 HydrophobicContact SD-CD1 4.29Å; M332-V336 WeakPolarHBondContact O-CB 3.48Å; M332-V336 VanDerWaalsContact O-CG2 3.3Å; M332-V336 WeakPolarHBondContact O-CG2 3.22Å; M332-V336 PolarHBondContact O-N 3.24Å
333T90.5Very high85.6Confident0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-65.3-38.8176.1-55.20000111.8V329 L330 I331 V336 N337 I346 Q351V329-T333 WeakPolarHBondContact O-CB 3.44Å; V329-T333 PolarHBondContact O-N 3.37Å; V329-T333 PolarHBondContact O-OG1 2.96Å; L330-T333 PolarHBondContact O-N 3.37Å; I331-T333 VanDerWaalsContact C-N 3.33Å; I331-T333 PolarHBondContact O-N 3.24Å; T333-V336 PolarHBondContact O-N 3.19Å; T333-N337 WeakPolarHBondContact CG2-ND2 3.27Å; T333-N337 WeakPolarHBondContact O-CB 3.26Å; T333-N337 PolarHBondContact O-N 3.42Å; T333-N337 PolarHBondContact O-ND2 2.92Å; T333-I346 HydrophobicContact CG2-CB 3.72Å; T333-I346 HydrophobicContact CG2-CD1 4.23Å; T333-I346 HydrophobicContact CG2-CG1 4.46Å; T333-I346 HydrophobicContact CG2-CG2 4.07Å; T333-Q351 HydrophobicContact CG2-CG 3.66Å
334S88.2Confident84.3Confident77 Ų7747.6 Ų47.654%0.53825%0.249SC..Hα-helixtrans-61.3-44.4174.7-172.90000111.4L330 I331 M332 N337 L338L330-S334 VanDerWaalsContact O-CB 3.28Å; L330-S334 WeakPolarHBondContact O-CB 3.44Å; L330-S334 PolarHBondContact O-N 2.9Å; I331-S334 WeakPolarHBondContact O-CB 3.39Å; I331-S334 PolarHBondContact O-N 3.19Å; M332-S334 VanDerWaalsContact C-N 3.34Å; M332-S334 PolarHBondContact O-N 2.6Å; S334-N337 PolarHBondContact O-N 3.17Å; S334-L338 WeakPolarHBondContact O-CB 3.49Å; S334-L338 PolarHBondContact O-N 2.94Å
335I87.8Confident83.2Confident55 Ų5554.8 Ų54.828%0.28228%0.281SS..Hα-helixtrans-60.7-49.7176-68.3166.6000110.7I331 M332 N337 L338 I339I331-I335 HydrophobicContact CG2-CD1 3.85Å; I331-I335 VanDerWaalsContact O-CG1 3.31Å; I331-I335 WeakPolarHBondContact O-CG1 3.26Å; I331-I335 PolarHBondContact O-N 3.06Å; M332-I335 PolarHBondContact O-N 3.38Å; M332-I335 HydrophobicContact SD-CD1 4.29Å; I335-N337 PolarHBondContact O-N 2.8Å; I335-L338 PolarHBondContact O-N 3.46Å; I335-I339 HydrophobicContact CG2-CD1 3.64Å; I335-I339 WeakPolarHBondContact O-CB 3.31Å; I335-I339 WeakPolarHBondContact O-CG1 3.24Å; I335-I339 PolarHBondContact O-N 3.37Å
336V86.3Confident82.5Confident0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-62.2-45.4-179.8169.50000111.2T89 I92 F93 M332 T333 N340 I341 I346T89-V336 HydrophobicContact CG2-CG1 3.93Å; T89-V336 HydrophobicContact CG2-CG2 4.14Å; I92-V336 HydrophobicContact CG2-CG2 4.43Å; F93-V336 HydrophobicContact CE2-CG2 4.04Å; M332-V336 WeakPolarHBondContact O-CB 3.48Å; M332-V336 VanDerWaalsContact O-CG2 3.3Å; M332-V336 WeakPolarHBondContact O-CG2 3.22Å; M332-V336 PolarHBondContact O-N 3.24Å; T333-V336 PolarHBondContact O-N 3.19Å; V336-N340 WeakPolarHBondContact O-CA 3.31Å; V336-N340 PolarHBondContact O-N 3.49Å; V336-I341 PolarHBondContact O-N 3.23Å; V336-I346 HydrophobicContact CG1-CD1 4.38Å
337N85.4Confident82Confident47 Ų4751.8 Ų51.825%0.25127%0.273SS..Hα-helixtrans-68.5-33.5179.5-74.1-15.2000112.5T333 S334 I335 N340 I346T333-N337 WeakPolarHBondContact CG2-ND2 3.27Å; T333-N337 WeakPolarHBondContact O-CB 3.26Å; T333-N337 PolarHBondContact O-N 3.42Å; T333-N337 PolarHBondContact O-ND2 2.92Å; S334-N337 PolarHBondContact O-N 3.17Å; I335-N337 PolarHBondContact O-N 2.8Å; N337-N340 PolarHBondContact O-ND2 3.24Å; N337-N340 PolarHBondContact O-OD1 2.89Å; N337-I346 PolarHBondContact ND2-O 2.95Å; N337-I346 PolarHBondContact OD1-N 3.25Å; N337-I346 VanDerWaalsContact OD1-N 3.1Å
338L82.3Confident81.6Confident139 Ų13955 Ų5573%0.72828%0.284SS*.Hα-helixtrans-71.7-48.8177.7-177.167.3000111.3S334 I335 N340S334-L338 WeakPolarHBondContact O-CB 3.49Å; S334-L338 PolarHBondContact O-N 2.94Å; I335-L338 PolarHBondContact O-N 3.46Å; L338-N340 PolarHBondContact O-N 2.95Å; L338-N340 PolarHBondContact O-ND2 3.35Å
339I76.8Confident81.2Confident106 Ų10659.5 Ų59.554%0.54430%0.304SS..Hα-helixtrans-73.2-17.1-179.7-59.1170.3000110.5I335 I341I335-I339 HydrophobicContact CG2-CD1 3.64Å; I335-I339 WeakPolarHBondContact O-CB 3.31Å; I335-I339 WeakPolarHBondContact O-CG1 3.24Å; I335-I339 PolarHBondContact O-N 3.37Å; I339-I341 HydrophobicContact CB-CD1 4.02Å; I339-I341 HydrophobicContact CB-CG1 3.67Å; I339-I341 HydrophobicContact CD1-CD1 4.17Å; I339-I341 HydrophobicContact CG2-CD1 3.86Å; I339-I341 HydrophobicContact CG2-CG1 3.37Å; I339-I341 PolarHBondContact O-N 3.31Å
340N71.2Confident80.9Confident75 Ų7560.5 Ų60.540%0.40131%0.309SS..THydrogen-bonded Turntrans50.947.7-171.9-65.9-86.8000110.9V336 N337 L338 D342 D343V336-N340 WeakPolarHBondContact O-CA 3.31Å; V336-N340 PolarHBondContact O-N 3.49Å; N337-N340 PolarHBondContact O-ND2 3.24Å; N337-N340 PolarHBondContact O-OD1 2.89Å; L338-N340 PolarHBondContact O-N 2.95Å; L338-N340 PolarHBondContact O-ND2 3.35Å; N340-D342 PolarHBondContact O-N 3.28Å; N340-D343 PolarHBondContact O-N 3.48Å
341I63.4Low80.8Confident32 Ų3259.1 Ų59.116%0.16430%0.301CS..G310 helixtrans-61.9133.4176-57176.9000106.9I92 V336 I339 D343 I344I92-I341 HydrophobicContact CD1-CD1 3.19Å; V336-I341 PolarHBondContact O-N 3.23Å; I339-I341 HydrophobicContact CB-CD1 4.02Å; I339-I341 HydrophobicContact CB-CG1 3.67Å; I339-I341 HydrophobicContact CD1-CD1 4.17Å; I339-I341 HydrophobicContact CG2-CD1 3.86Å; I339-I341 HydrophobicContact CG2-CG1 3.37Å; I339-I341 PolarHBondContact O-N 3.31Å; I341-D343 PolarHBondContact O-N 3.43Å; I341-I344 PolarHBondContact O-N 2.88Å
342D62.7Low80.6Confident31 Ų3157.6 Ų57.617%0.16629%0.293CS..G310 helixtrans6212.9178.8-53.7-30.7000116.3E85 Y86 T89 N340 I344 R450E85-D342 WeakPolarHBondContact O-CB 3.26Å; Y86-D342 HydrophobicContact CD1-CB 4.28Å; T89-D342 PolarHBondContact N-OD2 3.28Å; T89-D342 VanDerWaalsContact N-OD2 3.08Å; T89-D342 PolarHBondContact OG1-OD2 3.43Å; N340-D342 PolarHBondContact O-N 3.28Å; D342-I344 HydrophobicContact CB-CD1 3.89Å; D342-I344 HydrophobicContact CB-CG1 3.93Å; D342-I344 PolarHBondContact O-N 2.94Å; D342-R450 PolarHBondContact O-NH1 2.74Å
343D63.5Low80.5Confident75 Ų7557.5 Ų57.540%0.40129%0.292SS..G310 helixtrans54.228.2-171.8-65.6-58.4000112.6N340 I341 R450 K585N340-D343 PolarHBondContact O-N 3.48Å; I341-D343 PolarHBondContact O-N 3.43Å; D343-R450 IonicContact OD2-CZ 2.73Å; D343-R450 IonicContact OD2-NE 2.79Å; D343-R450 IonicContact OD2-NH2 3.58Å; D343-R450 PolarHBondContact OD2-NH2 3.01Å; D343-K585 IonicContact OD1-NZ 2.75Å; D343-K585 PolarHBondContact OD1-NZ 3.1Å; D343-K585 IonicContact OD2-NZ 2.64Å; D343-K585 PolarHBondContact OD2-NZ 3.43Å
344I67.1Low80.5Confident16 Ų1657.6 Ų57.68%0.08229%0.293CS..  trans-94.3142.9176.6-51169.5000109.9Y86 I161 I341 D342 I346Y86-I344 HydrophobicContact CD1-CD1 3.15Å; Y86-I344 HydrophobicContact CD1-CG1 3.9Å; Y86-I344 HydrophobicContact CE1-CD1 3.45Å; Y86-I344 VanDerWaalsContact CE1-CD1 3.45Å; Y86-I344 HydrophobicContact CE1-CG1 3.71Å; Y86-I344 HydrophobicContact CG-CD1 4.09Å; I161-I344 HydrophobicContact CD1-CD1 4.29Å; I341-I344 PolarHBondContact O-N 2.88Å; D342-I344 HydrophobicContact CB-CD1 3.89Å; D342-I344 HydrophobicContact CB-CG1 3.93Å; D342-I344 PolarHBondContact O-N 2.94Å; I344-I346 HydrophobicContact CG2-CG1 4.15Å
345K73Confident80.6Confident153 Ų15355.5 Ų55.567%0.66528%0.275SS*.  trans-119.4107.8164.3-68-178.2-179.9178.70108.2T347K345-T347 PolarHBondContact O-N 3.44Å
346I80.1Confident80.8Confident4 Ų455.4 Ų55.42%0.02127%0.272CS..  trans-75.6113.7178.1-56.2176.8000107.5F93 T333 V336 N337 I344 E350 Q351 L354F93-I346 HydrophobicContact CE2-CD1 3.91Å; F93-I346 HydrophobicContact CZ-CD1 4.04Å; T333-I346 HydrophobicContact CG2-CB 3.72Å; T333-I346 HydrophobicContact CG2-CD1 4.23Å; T333-I346 HydrophobicContact CG2-CG1 4.46Å; T333-I346 HydrophobicContact CG2-CG2 4.07Å; V336-I346 HydrophobicContact CG1-CD1 4.38Å; N337-I346 PolarHBondContact ND2-O 2.95Å; N337-I346 PolarHBondContact OD1-N 3.25Å; N337-I346 VanDerWaalsContact OD1-N 3.1Å; I344-I346 HydrophobicContact CG2-CG1 4.15Å; I346-E350 VanDerWaalsContact CA-OE2 3.29Å; I346-E350 WeakPolarHBondContact CA-OE2 3.39Å; I346-E350 HydrophobicContact CG2-CB 3.67Å; I346-Q351 HydrophobicContact CG2-CG 3.84Å; I346-Q351 PolarHBondContact O-NE2 2.88Å; I346-Q351 VanDerWaalsContact O-NE2 3.08Å; I346-L354 HydrophobicContact CG2-CD1 3.99Å
347T84.3Confident80.7Confident60 Ų6055.6 Ų55.637%0.36827%0.274SS..  trans-69.7159.3-178.570.40000111.1K345 K349 E350 Q351K345-T347 PolarHBondContact O-N 3.44Å; T347-K349 PolarHBondContact O-N 3.3Å; T347-E350 WeakPolarHBondContact CB-OE1 3.4Å; T347-E350 VanDerWaalsContact CG2-OE1 3.3Å; T347-E350 WeakPolarHBondContact CG2-OE1 3.14Å; T347-E350 PolarHBondContact N-OE2 3.37Å; T347-E350 WeakPolarHBondContact O-CB 3.44Å; T347-E350 PolarHBondContact O-N 2.88Å; T347-E350 VanDerWaalsContact O-N 3.12Å; T347-E350 PolarHBondContact OG1-N 3.18Å; T347-E350 PolarHBondContact OG1-OE1 2.93Å; T347-Q351 WeakPolarHBondContact O-CG 3.23Å; T347-Q351 PolarHBondContact O-N 2.83Å
348F85.7Confident80.7Confident138 Ų13853.9 Ų53.961%0.60527%0.267SS*.Hα-helixtrans-59.6-29.9178.3-173.8-107.7000112.8Q351 I352F348-Q351 WeakPolarHBondContact O-CB 3.39Å; F348-Q351 PolarHBondContact O-N 3.44Å; F348-I352 HydrophobicContact CD1-CD1 3.92Å; F348-I352 HydrophobicContact CE1-CD1 3.61Å; F348-I352 HydrophobicContact CE1-CG1 4.24Å; F348-I352 HydrophobicContact CZ-CD1 4.24Å; F348-I352 HydrophobicContact CZ-CG1 4.45Å; F348-I352 WeakPolarHBondContact O-CG1 3.16Å; F348-I352 PolarHBondContact O-N 3.41Å; F348-I352 VanDerWaalsContact O-N 3.13Å
349K87Confident81.1Confident102 Ų10247.5 Ų47.544%0.44323%0.234SC..Hα-helixtrans-66.7-45.1175-66-176.3176.6-165.90111.7T347 Q351 I352 I353 L413T347-K349 PolarHBondContact O-N 3.3Å; K349-Q351 VanDerWaalsContact C-N 3.3Å; K349-Q351 PolarHBondContact O-N 3.09Å; K349-I352 PolarHBondContact O-N 3.27Å; K349-I353 WeakPolarHBondContact O-CG1 3.4Å; K349-I353 PolarHBondContact O-N 3.36Å; K349-L413 HydrophobicContact CB-CD2 3.99Å; K349-L413 HydrophobicContact CB-CG 4.36Å; K349-L413 WeakPolarHBondContact CD-O 3.41Å; K349-L413 HydrophobicContact CG-CG 4.43Å; K349-L413 PolarHBondContact NZ-O 3.48Å; K349-L413 VanDerWaalsContact O-CD2 3.27Å; K349-L413 WeakPolarHBondContact O-CD2 3.39Å
350E86.3Confident81.8Confident23 Ų2342.6 Ų42.611%0.10721%0.208CC..Hα-helixtrans-62.3-38.3175.1-72.1147.5-126.800111.5L158 I346 T347 I352 I353 L354L158-E350 HydrophobicContact CD1-CB 4.01Å; L158-E350 HydrophobicContact CD1-CG 4.19Å; L158-E350 HydrophobicContact CD2-CB 4.49Å; L158-E350 HydrophobicContact CD2-CG 4.11Å; I346-E350 VanDerWaalsContact CA-OE2 3.29Å; I346-E350 WeakPolarHBondContact CA-OE2 3.39Å; I346-E350 HydrophobicContact CG2-CB 3.67Å; T347-E350 WeakPolarHBondContact CB-OE1 3.4Å; T347-E350 VanDerWaalsContact CG2-OE1 3.3Å; T347-E350 WeakPolarHBondContact CG2-OE1 3.14Å; T347-E350 PolarHBondContact N-OE2 3.37Å; T347-E350 WeakPolarHBondContact O-CB 3.44Å; T347-E350 PolarHBondContact O-N 2.88Å; T347-E350 VanDerWaalsContact O-N 3.12Å; T347-E350 PolarHBondContact OG1-N 3.18Å; T347-E350 PolarHBondContact OG1-OE1 2.93Å; E350-I352 PolarHBondContact O-N 2.94Å; E350-I353 PolarHBondContact O-N 3.05Å; E350-I353 VanDerWaalsContact O-N 3.17Å; E350-L354 WeakPolarHBondContact O-CG 3.16Å; E350-L354 PolarHBondContact O-N 3.48Å
351Q90.5Very high82.4Confident22 Ų2239.1 Ų39.110%0.10319%0.191CC..Hα-helixtrans-60.2-44.4175.2-68.1168.530.300112.2T333 I346 T347 F348 K349 I353 L354 I355T333-Q351 HydrophobicContact CG2-CG 3.66Å; I346-Q351 HydrophobicContact CG2-CG 3.84Å; I346-Q351 PolarHBondContact O-NE2 2.88Å; I346-Q351 VanDerWaalsContact O-NE2 3.08Å; T347-Q351 WeakPolarHBondContact O-CG 3.23Å; T347-Q351 PolarHBondContact O-N 2.83Å; F348-Q351 WeakPolarHBondContact O-CB 3.39Å; F348-Q351 PolarHBondContact O-N 3.44Å; K349-Q351 VanDerWaalsContact C-N 3.3Å; K349-Q351 PolarHBondContact O-N 3.09Å; Q351-I353 PolarHBondContact O-N 3.33Å; Q351-L354 PolarHBondContact O-N 3.49Å; Q351-I355 WeakPolarHBondContact O-CD1 3.42Å; Q351-I355 WeakPolarHBondContact O-CG1 3.49Å; Q351-I355 PolarHBondContact O-N 3.46Å
352I90.5Very high83.3Confident53 Ų5338 Ų3827%0.27219%0.186SC..Hα-helixtrans-58.9-39.9176.8-70.1167.5000110.6F348 K349 E350 I355 Y356 L409 L413F348-I352 HydrophobicContact CD1-CD1 3.92Å; F348-I352 HydrophobicContact CE1-CD1 3.61Å; F348-I352 HydrophobicContact CE1-CG1 4.24Å; F348-I352 HydrophobicContact CZ-CD1 4.24Å; F348-I352 HydrophobicContact CZ-CG1 4.45Å; F348-I352 WeakPolarHBondContact O-CG1 3.16Å; F348-I352 PolarHBondContact O-N 3.41Å; F348-I352 VanDerWaalsContact O-N 3.13Å; K349-I352 PolarHBondContact O-N 3.27Å; E350-I352 PolarHBondContact O-N 2.94Å; I352-I355 PolarHBondContact O-N 3.46Å; I352-Y356 VanDerWaalsContact O-CB 3.27Å; I352-Y356 WeakPolarHBondContact O-CB 3.19Å; I352-Y356 PolarHBondContact O-N 3.4Å; I352-L409 HydrophobicContact CG2-CD2 4.42Å; I352-L413 HydrophobicContact CB-CD2 4.2Å; I352-L413 HydrophobicContact CG2-CD2 4.18Å
353I88.3Confident84.6Confident0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-70.8-39.7179.3-56.5158.7000111V145 F149 L158 K349 E350 Q351 I355 Y356 G357 M406 L413 I415V145-I353 HydrophobicContact CG1-CG2 4.24Å; F149-I353 HydrophobicContact CE1-CG2 3.83Å; F149-I353 HydrophobicContact CZ-CG2 3.54Å; L158-I353 HydrophobicContact CD2-CD1 3.99Å; L158-I353 HydrophobicContact CD2-CG2 4.49Å; K349-I353 WeakPolarHBondContact O-CG1 3.4Å; K349-I353 PolarHBondContact O-N 3.36Å; E350-I353 PolarHBondContact O-N 3.05Å; E350-I353 VanDerWaalsContact O-N 3.17Å; Q351-I353 PolarHBondContact O-N 3.33Å; I353-I355 VanDerWaalsContact C-N 3.29Å; I353-I355 PolarHBondContact O-N 3.42Å; I353-Y356 PolarHBondContact O-N 2.86Å; I353-G357 WeakPolarHBondContact O-CA 3.42Å; I353-G357 PolarHBondContact O-N 2.95Å; I353-M406 HydrophobicContact CG2-CE 4.4Å; I353-L413 HydrophobicContact CD1-CD2 4.03Å; I353-L413 HydrophobicContact CG1-CD2 3.75Å; I353-I415 HydrophobicContact CD1-CD1 3.22Å; I353-I415 HydrophobicContact CD1-CG1 3.64Å; I353-I415 HydrophobicContact CG1-CD1 4.32Å
354L89.6Confident85.9Confident2 Ų233.5 Ų33.51%0.0116%0.162CC..Hα-helixtrans-61.9-37.4174.4-76161.2000112.3L158 I161 V162 R325 V329 I346 E350 Q351L158-L354 HydrophobicContact CD1-CD1 4.17Å; L158-L354 HydrophobicContact CD1-CD2 4.29Å; L158-L354 HydrophobicContact CD1-CG 4.01Å; I161-L354 HydrophobicContact CG2-CD2 4.12Å; V162-L354 HydrophobicContact CG2-CD2 3.54Å; V162-L354 HydrophobicContact CG2-CG 4.47Å; R325-L354 PolarHBondContact NE-O 2.88Å; R325-L354 PolarHBondContact NH2-O 3.4Å; V329-L354 HydrophobicContact CG1-CB 3.85Å; I346-L354 HydrophobicContact CG2-CD1 3.99Å; E350-L354 WeakPolarHBondContact O-CG 3.16Å; E350-L354 PolarHBondContact O-N 3.48Å; Q351-L354 PolarHBondContact O-N 3.49Å
355I91.8Very high87Confident32 Ų3232.8 Ų32.816%0.16416%0.159CC..Hα-helixtrans-69.5-52175.8-67.3162.7000110.1F326 V329 L330 Q351 I352 I353F326-I355 HydrophobicContact CB-CG2 4.23Å; F326-I355 HydrophobicContact CD2-CD1 3.77Å; F326-I355 HydrophobicContact CD2-CG2 4.13Å; F326-I355 HydrophobicContact CE2-CD1 4.16Å; F326-I355 HydrophobicContact CG-CD1 4.5Å; V329-I355 HydrophobicContact CB-CD1 4.45Å; V329-I355 HydrophobicContact CB-CG1 3.66Å; V329-I355 HydrophobicContact CG1-CD1 4.32Å; V329-I355 HydrophobicContact CG1-CG1 3.65Å; V329-I355 HydrophobicContact CG2-CG1 4.15Å; L330-I355 HydrophobicContact CD2-CD1 4.45Å; L330-I355 HydrophobicContact CG-CD1 4.44Å; Q351-I355 WeakPolarHBondContact O-CD1 3.42Å; Q351-I355 WeakPolarHBondContact O-CG1 3.49Å; Q351-I355 PolarHBondContact O-N 3.46Å; I352-I355 PolarHBondContact O-N 3.46Å; I353-I355 VanDerWaalsContact C-N 3.29Å; I353-I355 PolarHBondContact O-N 3.42Å
356Y90.2Very high87.7Confident54 Ų5425.5 Ų25.521%0.21213%0.127CC..Hα-helixtrans-74.7-30.3-173-158.8-106.6000113.1I352 I353 G358 M402 T405 M406 L409I352-Y356 VanDerWaalsContact O-CB 3.27Å; I352-Y356 WeakPolarHBondContact O-CB 3.19Å; I352-Y356 PolarHBondContact O-N 3.4Å; I353-Y356 PolarHBondContact O-N 2.86Å; Y356-G358 PolarHBondContact O-N 3.44Å; Y356-M402 HydrophobicContact CD2-CE 4.39Å; Y356-M402 HydrophobicContact CE1-CB 4.41Å; Y356-M402 HydrophobicContact CE2-CE 4.06Å; Y356-T405 WeakPolarHBondContact CE1-OG1 3.25Å; Y356-T405 WeakPolarHBondContact OH-CB 3.38Å; Y356-T405 PolarHBondContact OH-OG1 3.49Å; Y356-M406 HydrophobicContact CD1-CE 4.07Å; Y356-M406 HydrophobicContact CD1-SD 3.26Å; Y356-M406 WeakPolarHBondContact CD1-SD 3.29Å; Y356-M406 HydrophobicContact CE1-SD 3.81Å; Y356-M406 HydrophobicContact CG-SD 4.27Å; Y356-L409 HydrophobicContact CD1-CD2 3.23Å; Y356-L409 HydrophobicContact CD2-CD2 4.34Å; Y356-L409 HydrophobicContact CE1-CD2 3.92Å; Y356-L409 HydrophobicContact CG-CD2 3.51Å
357G85.6Confident88.2Confident4 Ų425.3 Ų25.34%0.04113%0.126CC..THydrogen-bonded Turntrans-78.63.1178.800000115.4I353 L359I353-G357 WeakPolarHBondContact O-CA 3.42Å; I353-G357 PolarHBondContact O-N 2.95Å; G357-L359 PolarHBondContact O-N 2.92Å
358G85.6Confident88.5Confident11 Ų1122.5 Ų22.511%0.11311%0.109CC..  trans-78.655177.600000113.3Y356Y356-G358 PolarHBondContact O-N 3.44Å
359L89.7Confident88.5Confident4 Ų417.3 Ų17.32%0.0219%0.087CC..  trans-69.5152.6-177.8-46.8115.9000110.4I140 D141 A144 V145 G357 T398 M402I140-L359 CarbonylContact C-O 3.5Å; I140-L359 VanDerWaalsContact CA-O 3.26Å; I140-L359 WeakPolarHBondContact CA-O 3.3Å; I140-L359 WeakPolarHBondContact CG2-O 3.34Å; D141-L359 PolarHBondContact N-O 3.02Å; D141-L359 WeakPolarHBondContact O-CB 3.49Å; D141-L359 WeakPolarHBondContact O-CD1 3.32Å; A144-L359 HydrophobicContact CB-CD1 4Å; V145-L359 HydrophobicContact CG2-CD1 3.87Å; G357-L359 PolarHBondContact O-N 2.92Å; L359-T398 WeakPolarHBondContact CD2-O 3.5Å; L359-M402 HydrophobicContact CD2-CB 3.91Å
360R91.9Very high88.4Confident3 Ų315.7 Ų15.71%0.0118%0.083CC..  trans-88.4138.2176.5-59.1-50.7-175170.77.1109.9N101 I137 V138 A139 C321 I394 I395 T398 V399N101-R360 PolarHBondContact ND2-NH2 3.27Å; I137-R360 HydrophobicContact CD1-CG 4.22Å; I137-R360 VanDerWaalsContact O-CD 3.25Å; I137-R360 WeakPolarHBondContact O-CD 3.21Å; I137-R360 PolarHBondContact O-NE 3.32Å; I137-R360 PolarHBondContact O-NH1 3.35Å; I137-R360 PolarHBondContact O-NH2 2.88Å; V138-R360 VanDerWaalsContact CA-NH1 3.35Å; V138-R360 PolarHBondContact O-NH1 2.82Å; A139-R360 VanDerWaalsContact O-CD 3.24Å; A139-R360 WeakPolarHBondContact O-CD 3.42Å; A139-R360 PolarHBondContact O-NH1 3.48Å; C321-R360 VanDerWaalsContact SG-CZ 3.52Å; C321-R360 PolarHBondContact SG-NE 3.27Å; C321-R360 PolarHBondContact SG-NH2 3.28Å; R360-I394 HydrophobicContact CB-CG2 4.22Å; R360-I394 HydrophobicContact CG-CG2 3.64Å; R360-I395 HydrophobicContact CB-CG1 3.88Å; R360-T398 HydrophobicContact CG-CG2 4.33Å; R360-T398 PolarHBondContact N-OG1 3.5Å; R360-T398 VanDerWaalsContact N-OG1 3.14Å; R360-V399 WeakPolarHBondContact O-CG2 3.36Å
361G83.4Confident88.4Confident3 Ų314.6 Ų14.63%0.0318%0.078CC..  trans-108.3-178-172.700000114.2V363 A364 I395G361-V363 VanDerWaalsContact C-N 3.31Å; G361-V363 PolarHBondContact O-N 2.86Å; G361-A364 PolarHBondContact O-N 3.46Å; G361-I395 WeakPolarHBondContact O-CD1 3.3Å
362A83.6Confident88Confident9 Ų916 Ų167%0.0749%0.088CC..Hα-helixtrans-73.8-17.8-179.600000115.3I294 A364 F365 S366I294-A362 HydrophobicContact CB-CB 4.4Å; I294-A362 HydrophobicContact CG2-CB 2.96Å; A362-A364 VanDerWaalsContact C-N 3.28Å; A362-A364 PolarHBondContact O-N 3.24Å; A362-F365 PolarHBondContact O-N 2.88Å; A362-S366 WeakPolarHBondContact O-CB 3.39Å; A362-S366 PolarHBondContact O-N 2.87Å; A362-S366 PolarHBondContact O-OG 3.08Å
363V88Confident87.2Confident11 Ų1115.5 Ų15.57%0.0679%0.09CC..Hα-helixtrans-57.8-44.8171.5176.50000110.1F62 L67 A139 D170 V174 G361 F365 S366 L367F62-V363 HydrophobicContact CZ-CG2 4.06Å; L67-V363 HydrophobicContact CD1-CG2 4.29Å; A139-V363 HydrophobicContact CB-CB 4.07Å; A139-V363 HydrophobicContact CB-CG1 4.07Å; D170-V363 HydrophobicContact CB-CG2 4.33Å; V174-V363 HydrophobicContact CG2-CG1 4.25Å; G361-V363 VanDerWaalsContact C-N 3.31Å; G361-V363 PolarHBondContact O-N 2.86Å; V363-F365 PolarHBondContact O-N 3.49Å; V363-S366 PolarHBondContact O-N 3.37Å; V363-L367 HydrophobicContact CG1-CD1 4.03Å; V363-L367 HydrophobicContact CG1-CG 4.45Å; V363-L367 WeakPolarHBondContact O-CG 3.28Å; V363-L367 PolarHBondContact O-N 3.43Å
364A91.7Very high86.6Confident0 Ų021.5 Ų21.50%012%0.122CC..Hα-helixtrans-58.9-45.8177.300000112L136 I137 A139 G361 A362 L367 A368 T391 I395L136-A364 WeakPolarHBondContact O-CA 3.42Å; L136-A364 WeakPolarHBondContact O-CB 3.35Å; I137-A364 HydrophobicContact CD1-CB 4.46Å; A139-A364 HydrophobicContact CB-CB 4.47Å; G361-A364 PolarHBondContact O-N 3.46Å; A362-A364 VanDerWaalsContact C-N 3.28Å; A362-A364 PolarHBondContact O-N 3.24Å; A364-L367 PolarHBondContact O-N 2.94Å; A364-A368 WeakPolarHBondContact O-CB 3.31Å; A364-A368 PolarHBondContact O-N 3.04Å; A364-T391 HydrophobicContact CB-CG2 3.92Å; A364-I395 HydrophobicContact CB-CD1 4.43Å
365F89.5Confident86Confident1 Ų123 Ų230%0.00413%0.13CC..Hα-helixtrans-63.1-43.1177.2171.4-106.3000112.6F57 L298 A301 A362 V363 L367 A368 I369 V388 T391 L392 I395F57-F365 HydrophobicContact CD1-CD1 4.43Å; F57-F365 AromaticContact CD1-CE1 3.83Å; F57-F365 HydrophobicContact CD1-CE1 3.83Å; F57-F365 HydrophobicContact CE1-CD1 4.2Å; F57-F365 HydrophobicContact CE1-CE1 4.05Å; F57-F365 HydrophobicContact CG-CE1 4.4Å; L298-F365 HydrophobicContact CD1-CB 3.94Å; L298-F365 HydrophobicContact CD1-CD1 4.21Å; L298-F365 HydrophobicContact CD1-CG 3.99Å; A301-F365 HydrophobicContact CB-CE1 4.25Å; A301-F365 HydrophobicContact CB-CE2 3.81Å; A301-F365 HydrophobicContact CB-CZ 3.27Å; A362-F365 PolarHBondContact O-N 2.88Å; V363-F365 PolarHBondContact O-N 3.49Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 2.97Å; F365-A368 WeakPolarHBondContact O-CB 3.35Å; F365-A368 PolarHBondContact O-N 2.87Å; F365-A368 VanDerWaalsContact O-N 3.16Å; F365-I369 HydrophobicContact CD1-CD1 4.36Å; F365-I369 HydrophobicContact CD2-CD1 4.38Å; F365-I369 HydrophobicContact CE1-CD1 3.58Å; F365-I369 HydrophobicContact CE2-CD1 3.59Å; F365-I369 HydrophobicContact CE2-CG1 4.18Å; F365-I369 HydrophobicContact CZ-CD1 3.12Å; F365-I369 HydrophobicContact CZ-CG1 4.17Å; F365-I369 PolarHBondContact O-N 3.13Å; F365-I369 VanDerWaalsContact O-N 3.14Å; F365-V388 HydrophobicContact CE2-CG1 4.36Å; F365-T391 HydrophobicContact CB-CG2 4.46Å; F365-L392 HydrophobicContact CE2-CD1 4.39Å; F365-I395 HydrophobicContact CB-CD1 3.59Å
366S87.8Confident85.3Confident0 Ų021.6 Ų21.60%012%0.122CC..Hα-helixtrans-64.9-39.6-179-53.10000111.9F57 F62 A362 V363 I369 L370F57-S366 VanDerWaalsContact CE1-OG 3.31Å; F57-S366 WeakPolarHBondContact CE1-OG 3.43Å; F57-S366 VanDerWaalsContact CZ-OG 3.27Å; F57-S366 WeakPolarHBondContact CZ-OG 3.38Å; F62-S366 VanDerWaalsContact CD1-CB 3.44Å; F62-S366 VanDerWaalsContact CD2-OG 3.31Å; F62-S366 WeakPolarHBondContact CD2-OG 3.4Å; F62-S366 VanDerWaalsContact CE1-CB 3.47Å; F62-S366 VanDerWaalsContact CE2-OG 3.24Å; F62-S366 WeakPolarHBondContact CE2-OG 3.3Å; F62-S366 WeakPolarHBondContact CG-OG 3.4Å; F62-S366 WeakPolarHBondContact CZ-OG 3.36Å; A362-S366 WeakPolarHBondContact O-CB 3.39Å; A362-S366 PolarHBondContact O-N 2.87Å; A362-S366 PolarHBondContact O-OG 3.08Å; V363-S366 PolarHBondContact O-N 3.37Å; S366-I369 PolarHBondContact O-N 3.47Å; S366-L370 PolarHBondContact O-N 3.08Å
367L90.2Very high84.3Confident0 Ų021.1 Ų21.10%013%0.134CC..Hα-helixtrans-67.5-35.4173.5-70.2176.7000112.5F63 L136 T173 V174 Y177 V363 A364 F365 L370 I371F63-L367 HydrophobicContact CE2-CD2 4.3Å; F63-L367 HydrophobicContact CZ-CD2 3.65Å; L136-L367 HydrophobicContact CB-CB 3.73Å; L136-L367 HydrophobicContact CB-CD1 4.16Å; T173-L367 HydrophobicContact CG2-CD1 3.75Å; V174-L367 HydrophobicContact CG2-CD1 4.18Å; V174-L367 HydrophobicContact CG2-CD2 4.37Å; Y177-L367 HydrophobicContact CD1-CD2 3.55Å; Y177-L367 HydrophobicContact CD2-CB 4.01Å; Y177-L367 HydrophobicContact CD2-CD1 4.39Å; Y177-L367 HydrophobicContact CD2-CD2 4.05Å; Y177-L367 HydrophobicContact CD2-CG 4.39Å; Y177-L367 HydrophobicContact CE1-CD2 3.68Å; Y177-L367 HydrophobicContact CE2-CB 3.91Å; Y177-L367 HydrophobicContact CE2-CD2 4.16Å; Y177-L367 VanDerWaalsContact CE2-O 3.32Å; Y177-L367 WeakPolarHBondContact CE2-O 3.3Å; Y177-L367 HydrophobicContact CG-CB 4.49Å; Y177-L367 HydrophobicContact CG-CD1 4.25Å; Y177-L367 HydrophobicContact CG-CD2 3.71Å; Y177-L367 HydrophobicContact CG-CG 4.39Å; Y177-L367 PolarHBondContact OH-O 3.22Å; V363-L367 HydrophobicContact CG1-CD1 4.03Å; V363-L367 HydrophobicContact CG1-CG 4.45Å; V363-L367 WeakPolarHBondContact O-CG 3.28Å; V363-L367 PolarHBondContact O-N 3.43Å; A364-L367 PolarHBondContact O-N 2.94Å; F365-L367 VanDerWaalsContact C-N 3.33Å; F365-L367 PolarHBondContact O-N 2.97Å; L367-L370 PolarHBondContact O-N 3.12Å; L367-I371 WeakPolarHBondContact O-CG1 3.42Å; L367-I371 PolarHBondContact O-N 3.35Å
368A90.5Very high83.2Confident0 Ų026.5 Ų26.50%017%0.171CC..Hα-helixtrans-63.4-39.7176.400000112.6L136 A364 F365 I387 V388 T391L136-A368 HydrophobicContact CD1-CB 4.26Å; L136-A368 HydrophobicContact CD2-CB 4.3Å; A364-A368 WeakPolarHBondContact O-CB 3.31Å; A364-A368 PolarHBondContact O-N 3.04Å; F365-A368 WeakPolarHBondContact O-CB 3.35Å; F365-A368 PolarHBondContact O-N 2.87Å; F365-A368 VanDerWaalsContact O-N 3.16Å; A368-I387 HydrophobicContact CB-CG2 4.09Å; A368-V388 HydrophobicContact CB-CG2 4.1Å; A368-T391 HydrophobicContact CB-CG2 4.26Å
369I86.7Confident82.5Confident30 Ų3029.2 Ų29.215%0.15418%0.183CC..Hα-helixtrans-71.7-30.8176.5-70.2178.8000112.1F57 P59 F365 S366 I371 V388F57-I369 HydrophobicContact CD1-CD1 4.06Å; P59-I369 HydrophobicContact CG-CG2 4.33Å; F365-I369 HydrophobicContact CD1-CD1 4.36Å; F365-I369 HydrophobicContact CD2-CD1 4.38Å; F365-I369 HydrophobicContact CE1-CD1 3.58Å; F365-I369 HydrophobicContact CE2-CD1 3.59Å; F365-I369 HydrophobicContact CE2-CG1 4.18Å; F365-I369 HydrophobicContact CZ-CD1 3.12Å; F365-I369 HydrophobicContact CZ-CG1 4.17Å; F365-I369 PolarHBondContact O-N 3.13Å; F365-I369 VanDerWaalsContact O-N 3.14Å; S366-I369 PolarHBondContact O-N 3.47Å; I369-I371 PolarHBondContact O-N 3.13Å; I369-V388 HydrophobicContact CG1-CG1 4.44Å; I369-V388 HydrophobicContact CG1-CG2 4.28Å
370L85.4Confident81.8Confident67 Ų6729.3 Ų29.335%0.35119%0.185SC..Hα-helixtrans-72.4-13.9-179.5178.260.9000113.1P59 F63 Y177 S366 L367 P372P59-L370 HydrophobicContact CB-CB 4.03Å; P59-L370 HydrophobicContact CB-CD1 3.63Å; P59-L370 HydrophobicContact CB-CD2 4.4Å; P59-L370 HydrophobicContact CB-CG 4.22Å; P59-L370 HydrophobicContact CG-CB 3.8Å; P59-L370 HydrophobicContact CG-CD1 3.74Å; P59-L370 HydrophobicContact CG-CG 4.33Å; F63-L370 HydrophobicContact CD2-CD2 4.38Å; F63-L370 HydrophobicContact CE2-CD2 3.72Å; Y177-L370 HydrophobicContact CE1-CD2 3.83Å; Y177-L370 HydrophobicContact CE1-CG 4.28Å; Y177-L370 WeakPolarHBondContact OH-CB 3.42Å; Y177-L370 VanDerWaalsContact OH-CG 3.25Å; Y177-L370 WeakPolarHBondContact OH-CG 3.46Å; S366-L370 PolarHBondContact O-N 3.08Å; L367-L370 PolarHBondContact O-N 3.12Å; L370-P372 VanDerWaalsContact O-CD 3.31Å; L370-P372 WeakPolarHBondContact O-CD 3.35Å
371I86.4Confident81.2Confident0 Ų035.9 Ų35.90%022%0.216CC..SBendtrans-63.6120.1178.5-54.4173.8000108.7L132 L136 Y177 L367 I369 I375 L376 Q384 I387L132-I371 HydrophobicContact CD2-CD1 3.99Å; L132-I371 HydrophobicContact CD2-CG1 4.16Å; L132-I371 HydrophobicContact CD2-CG2 3.82Å; L132-I371 HydrophobicContact CG-CD1 4.26Å; L136-I371 HydrophobicContact CD2-CD1 3.76Å; Y177-I371 HydrophobicContact CE2-CG1 4.01Å; Y177-I371 PolarHBondContact OH-N 3.19Å; L367-I371 WeakPolarHBondContact O-CG1 3.42Å; L367-I371 PolarHBondContact O-N 3.35Å; I369-I371 PolarHBondContact O-N 3.13Å; I371-I375 HydrophobicContact CG2-CD1 4.34Å; I371-I375 HydrophobicContact CG2-CG1 4.48Å; I371-L376 HydrophobicContact CG2-CD1 3.48Å; I371-L376 VanDerWaalsContact CG2-CD1 3.48Å; I371-L376 HydrophobicContact CG2-CD2 4.5Å; I371-L376 HydrophobicContact CG2-CG 4.06Å; I371-Q384 PolarHBondContact O-NE2 3.31Å; I371-I387 HydrophobicContact CD1-CD1 4.04Å; I371-I387 HydrophobicContact CD1-CG2 3.75Å
372P80.5Confident81.2Confident51 Ų5139.8 Ų39.833%0.33123%0.233SC..  trans-74.1141178.934.6-36.5000109.7L370 D374 I375L370-P372 VanDerWaalsContact O-CD 3.31Å; L370-P372 WeakPolarHBondContact O-CD 3.35Å; P372-D374 VanDerWaalsContact C-N 3.25Å; P372-D374 WeakPolarHBondContact CB-OD1 3.25Å; P372-D374 PolarHBondContact O-N 2.85Å; P372-I375 HydrophobicContact CG-CD1 3.67Å; P372-I375 HydrophobicContact CG-CG1 3.88Å; P372-I375 HydrophobicContact CG-CG2 4.11Å; P372-I375 WeakPolarHBondContact O-CG1 3.11Å
373S75.2Confident81.2Confident44 Ų4439.6 Ų39.631%0.30823%0.231SC..THydrogen-bonded Turntrans-72.8-16.7-17250.20000113.6G380S373-G380 CarbonylContact O-C 3.49Å; S373-G380 WeakPolarHBondContact O-CA 3.48Å
374D74.7Confident81.2Confident125 Ų12541.2 Ų41.267%0.66824%0.238SC*.THydrogen-bonded Turntrans-75.9-30-178.559.3-20.3000113.7P372P372-D374 VanDerWaalsContact C-N 3.25Å; P372-D374 WeakPolarHBondContact CB-OD1 3.25Å; P372-D374 PolarHBondContact O-N 2.85Å
375I77.1Confident81.1Confident34 Ų3442.3 Ų42.317%0.17425%0.245CC..THydrogen-bonded Turntrans-82.6-10.3-177.269.2175.8000114.3I181 T184 I371 P372 G377I181-I375 HydrophobicContact CG1-CD1 4.49Å; I181-I375 HydrophobicContact CG2-CD1 4.33Å; T184-I375 HydrophobicContact CG2-CB 4.23Å; T184-I375 HydrophobicContact CG2-CD1 3.9Å; T184-I375 HydrophobicContact CG2-CG1 3.93Å; I371-I375 HydrophobicContact CG2-CD1 4.34Å; I371-I375 HydrophobicContact CG2-CG1 4.48Å; P372-I375 HydrophobicContact CG-CD1 3.67Å; P372-I375 HydrophobicContact CG-CG1 3.88Å; P372-I375 HydrophobicContact CG-CG2 4.11Å; P372-I375 WeakPolarHBondContact O-CG1 3.11Å; I375-G377 VanDerWaalsContact C-N 3.26Å; I375-G377 PolarHBondContact O-N 3.41Å
376L77.1Confident81.1Confident2 Ų242.6 Ų42.61%0.0125%0.247CC..THydrogen-bonded Turntrans-88.720.1-174-78.1148.6000113.8I371 N383 Q384 I387I371-L376 HydrophobicContact CG2-CD1 3.48Å; I371-L376 VanDerWaalsContact CG2-CD1 3.48Å; I371-L376 HydrophobicContact CG2-CD2 4.5Å; I371-L376 HydrophobicContact CG2-CG 4.06Å; L376-N383 HydrophobicContact CB-CB 4.11Å; L376-N383 HydrophobicContact CD2-CB 4.05Å; L376-N383 PolarHBondContact O-ND2 3.41Å; L376-Q384 HydrophobicContact CD1-CB 3.65Å; L376-Q384 HydrophobicContact CD1-CG 4.24Å; L376-I387 HydrophobicContact CD2-CD1 3.86Å
377G69.2Low81.3Confident44 Ų4442.9 Ų42.945%0.45425%0.248SC..  trans78.8-160.5176.800000114.3I375 N379 G380I375-G377 VanDerWaalsContact C-N 3.26Å; I375-G377 PolarHBondContact O-N 3.41Å; G377-N379 PolarHBondContact O-N 3.19Å; G377-N379 VanDerWaalsContact O-N 3.13Å; G377-G380 PolarHBondContact O-N 3.3Å; G377-G380 VanDerWaalsContact O-N 3.13Å
378S62.6Low81.4Confident118 Ų11843.3 Ų43.383%0.82525%0.251SS*.THydrogen-bonded Turntrans-60.5-26.5-169.5-1700000114.9
379N71.4Confident81.5Confident68 Ų6843.5 Ų43.536%0.36425%0.252SS..THydrogen-bonded Turntrans-117.241.5178.9-65.2-7.7000110.7G377 E381 E382 N383G377-N379 PolarHBondContact O-N 3.19Å; G377-N379 VanDerWaalsContact O-N 3.13Å; N379-E381 PolarHBondContact O-N 2.82Å; N379-E382 HydrophobicContact CB-CB 4.37Å; N379-E382 HydrophobicContact CB-CG 4.45Å; N379-E382 WeakPolarHBondContact O-CB 3.3Å; N379-E382 PolarHBondContact O-N 3.39Å; N379-N383 PolarHBondContact O-N 2.99Å; N379-N383 VanDerWaalsContact O-N 3.08Å
380G75.4Confident81.8Confident5 Ų542 Ų425%0.05225%0.245CC..Hα-helixtrans-60.4-37.1-16600000115.4S373 G377 E382 N383 Q384S373-G380 CarbonylContact O-C 3.49Å; S373-G380 WeakPolarHBondContact O-CA 3.48Å; G377-G380 PolarHBondContact O-N 3.3Å; G377-G380 VanDerWaalsContact O-N 3.13Å; G380-E382 VanDerWaalsContact C-N 3.34Å; G380-E382 PolarHBondContact O-N 3.21Å; G380-N383 PolarHBondContact O-N 3.36Å; G380-Q384 WeakPolarHBondContact O-CB 3.29Å; G380-Q384 PolarHBondContact O-N 2.89Å
381E79.4Confident82.3Confident141 Ų14138.9 Ų38.966%0.65923%0.228SC*.Hα-helixtrans-63.7-37.7174.3-66.6-169.3162.600112.8N379 S385N379-E381 PolarHBondContact O-N 2.82Å; E381-S385 WeakPolarHBondContact O-CB 3.47Å; E381-S385 PolarHBondContact O-N 2.99Å; E381-S385 PolarHBondContact O-OG 3.38Å
382E82Confident82.6Confident86 Ų8639.2 Ų39.240%0.40223%0.23SC..Hα-helixtrans-70.5-40.6179.4-58.6-160119.400111.6K308 N379 G380 S385 L386K308-E382 HydrophobicContact CD-CB 3.99Å; K308-E382 IonicContact NZ-OE1 2.71Å; K308-E382 PolarHBondContact NZ-OE1 2.98Å; K308-E382 IonicContact NZ-OE2 2.8Å; K308-E382 PolarHBondContact NZ-OE2 3.34Å; N379-E382 HydrophobicContact CB-CB 4.37Å; N379-E382 HydrophobicContact CB-CG 4.45Å; N379-E382 WeakPolarHBondContact O-CB 3.3Å; N379-E382 PolarHBondContact O-N 3.39Å; G380-E382 VanDerWaalsContact C-N 3.34Å; G380-E382 PolarHBondContact O-N 3.21Å; E382-S385 PolarHBondContact O-N 3.4Å; E382-L386 WeakPolarHBondContact O-CB 3.28Å; E382-L386 PolarHBondContact O-N 2.99Å
383N85.3Confident83.2Confident5 Ų539.6 Ų39.63%0.02723%0.226CC..Hα-helixtrans-68.2-41.3178.4-70.7-17000111.2I123 T124 V125 L376 N379 G380 L386 I387I123-N383 WeakPolarHBondContact CG2-OD1 3.25Å; T124-N383 PolarHBondContact O-ND2 2.79Å; V125-N383 HydrophobicContact CG1-CB 4.27Å; V125-N383 VanDerWaalsContact CG1-ND2 3.33Å; V125-N383 WeakPolarHBondContact CG1-ND2 3.26Å; L376-N383 HydrophobicContact CB-CB 4.11Å; L376-N383 HydrophobicContact CD2-CB 4.05Å; L376-N383 PolarHBondContact O-ND2 3.41Å; N379-N383 PolarHBondContact O-N 2.99Å; N379-N383 VanDerWaalsContact O-N 3.08Å; G380-N383 PolarHBondContact O-N 3.36Å; N383-L386 PolarHBondContact O-N 3.39Å; N383-I387 WeakPolarHBondContact O-CG1 3.45Å; N383-I387 PolarHBondContact O-N 3.2Å
384Q87.3Confident84.2Confident44 Ų4437.5 Ų37.521%0.20621%0.212CC..Hα-helixtrans-58.8-50.3173.5-169.3-163.818.400110.4I371 L376 G380 L386 I387 V388I371-Q384 PolarHBondContact O-NE2 3.31Å; L376-Q384 HydrophobicContact CD1-CB 3.65Å; L376-Q384 HydrophobicContact CD1-CG 4.24Å; G380-Q384 WeakPolarHBondContact O-CB 3.29Å; G380-Q384 PolarHBondContact O-N 2.89Å; Q384-L386 VanDerWaalsContact C-N 3.26Å; Q384-L386 PolarHBondContact O-N 2.82Å; Q384-I387 PolarHBondContact O-N 2.94Å; Q384-I387 VanDerWaalsContact O-N 3.14Å; Q384-V388 WeakPolarHBondContact O-CG2 3.26Å; Q384-V388 PolarHBondContact O-N 3.05Å
385S88.4Confident85Confident23 Ų2331.6 Ų31.616%0.16118%0.18CC..Hα-helixtrans-60.5-36.2179.2-61.10000112.1E381 E382 T389E381-S385 WeakPolarHBondContact O-CB 3.47Å; E381-S385 PolarHBondContact O-N 2.99Å; E381-S385 PolarHBondContact O-OG 3.38Å; E382-S385 PolarHBondContact O-N 3.4Å; S385-T389 VanDerWaalsContact O-CB 3.28Å; S385-T389 WeakPolarHBondContact O-CB 3.31Å; S385-T389 PolarHBondContact O-N 3.39Å; S385-T389 PolarHBondContact O-OG1 2.92Å
386L90.6Very high85.8Confident7 Ų732 Ų324%0.03718%0.182CC..Hα-helixtrans-67.3-42.6175.3179.3150.3000112.1I123 H310 Y313 E382 N383 Q384 T389 T390I123-L386 HydrophobicContact CD1-CD1 3.64Å; I123-L386 HydrophobicContact CG1-CD1 4.31Å; H310-L386 HydrophobicContact CB-CD1 3.7Å; H310-L386 HydrophobicContact CB-CG 4.45Å; Y313-L386 HydrophobicContact CD1-CD2 3.47Å; Y313-L386 VanDerWaalsContact CD1-CD2 3.47Å; Y313-L386 HydrophobicContact CD1-CG 4.4Å; Y313-L386 HydrophobicContact CD2-CD2 3.96Å; Y313-L386 HydrophobicContact CE1-CD2 3.44Å; Y313-L386 VanDerWaalsContact CE1-CD2 3.44Å; Y313-L386 HydrophobicContact CE2-CD2 3.92Å; Y313-L386 HydrophobicContact CG-CD2 3.74Å; E382-L386 WeakPolarHBondContact O-CB 3.28Å; E382-L386 PolarHBondContact O-N 2.99Å; N383-L386 PolarHBondContact O-N 3.39Å; Q384-L386 VanDerWaalsContact C-N 3.26Å; Q384-L386 PolarHBondContact O-N 2.82Å; L386-T389 PolarHBondContact O-N 3.4Å; L386-T390 VanDerWaalsContact O-CB 3.32Å; L386-T390 WeakPolarHBondContact O-CB 3.17Å; L386-T390 PolarHBondContact O-N 3.26Å; L386-T390 PolarHBondContact O-OG1 3.28Å
387I91.9Very high86.5Confident6 Ų635 Ų353%0.03120%0.195CC..Hα-helixtrans-63.5-45.8175.8-72.9168.5000110.8F133 L136 A368 I371 L376 N383 Q384 T390 T391F133-I387 HydrophobicContact CD2-CG1 4.33Å; F133-I387 HydrophobicContact CD2-CG2 3.98Å; L136-I387 HydrophobicContact CD2-CG2 3.96Å; A368-I387 HydrophobicContact CB-CG2 4.09Å; I371-I387 HydrophobicContact CD1-CD1 4.04Å; I371-I387 HydrophobicContact CD1-CG2 3.75Å; L376-I387 HydrophobicContact CD2-CD1 3.86Å; N383-I387 WeakPolarHBondContact O-CG1 3.45Å; N383-I387 PolarHBondContact O-N 3.2Å; Q384-I387 PolarHBondContact O-N 2.94Å; Q384-I387 VanDerWaalsContact O-N 3.14Å; I387-T390 PolarHBondContact O-N 3.4Å; I387-T391 WeakPolarHBondContact O-CB 3.19Å; I387-T391 PolarHBondContact O-N 2.86Å; I387-T391 PolarHBondContact O-OG1 3.42Å
388V91.5Very high87.6Confident10 Ų1033 Ų336%0.06117%0.174CC..Hα-helixtrans-61.5-48.4177.2173.40000110.6F365 A368 I369 Q384 T390 T391 L392F365-V388 HydrophobicContact CE2-CG1 4.36Å; A368-V388 HydrophobicContact CB-CG2 4.1Å; I369-V388 HydrophobicContact CG1-CG1 4.44Å; I369-V388 HydrophobicContact CG1-CG2 4.28Å; Q384-V388 WeakPolarHBondContact O-CG2 3.26Å; Q384-V388 PolarHBondContact O-N 3.05Å; V388-T390 VanDerWaalsContact C-N 3.32Å; V388-T390 PolarHBondContact O-N 3.08Å; V388-T391 PolarHBondContact O-N 2.87Å; V388-L392 VanDerWaalsContact O-CB 3.24Å; V388-L392 WeakPolarHBondContact O-CB 3.28Å; V388-L392 PolarHBondContact O-N 3.49Å
389T93Very high88.9Confident3 Ų327.7 Ų27.72%0.01814%0.137CC..Hα-helixtrans-58.8-43.8178.2-57.90000111.5L307 K308 W309 I314 S385 L386 F393L307-T389 WeakPolarHBondContact CA-OG1 3.47Å; L307-T389 HydrophobicContact CB-CG2 4.16Å; L307-T389 HydrophobicContact CD2-CG2 4.05Å; L307-T389 WeakPolarHBondContact CD2-OG1 3.08Å; K308-T389 PolarHBondContact N-OG1 3.11Å; K308-T389 VanDerWaalsContact N-OG1 3.13Å; W309-T389 HydrophobicContact CE3-CG2 4.44Å; I314-T389 HydrophobicContact CD1-CG2 4.22Å; S385-T389 VanDerWaalsContact O-CB 3.28Å; S385-T389 WeakPolarHBondContact O-CB 3.31Å; S385-T389 PolarHBondContact O-N 3.39Å; S385-T389 PolarHBondContact O-OG1 2.92Å; L386-T389 PolarHBondContact O-N 3.4Å; T389-F393 WeakPolarHBondContact O-CB 3.35Å; T389-F393 PolarHBondContact O-N 3.23Å
390T94.3Very high89.7Confident0 Ų024.6 Ų24.60%012%0.121CC..Hα-helixtrans-67-45.5-179.5-57.50000111.6F133 Y313 I314 L386 I387 V388 L392 F393 I394F133-T390 HydrophobicContact CE2-CG2 3.99Å; F133-T390 HydrophobicContact CZ-CG2 3.74Å; Y313-T390 HydrophobicContact CD1-CG2 3.8Å; Y313-T390 WeakPolarHBondContact CD1-OG1 3.44Å; Y313-T390 HydrophobicContact CE1-CG2 3.75Å; Y313-T390 WeakPolarHBondContact CE1-OG1 3.35Å; I314-T390 HydrophobicContact CG1-CG2 4.25Å; I314-T390 WeakPolarHBondContact CG1-OG1 3.33Å; L386-T390 VanDerWaalsContact O-CB 3.32Å; L386-T390 WeakPolarHBondContact O-CB 3.17Å; L386-T390 PolarHBondContact O-N 3.26Å; L386-T390 PolarHBondContact O-OG1 3.28Å; I387-T390 PolarHBondContact O-N 3.4Å; V388-T390 VanDerWaalsContact C-N 3.32Å; V388-T390 PolarHBondContact O-N 3.08Å; T390-L392 VanDerWaalsContact C-N 3.34Å; T390-L392 PolarHBondContact O-N 3.46Å; T390-F393 PolarHBondContact O-N 2.65Å; T390-I394 HydrophobicContact CG2-CD1 3.8Å; T390-I394 HydrophobicContact CG2-CG1 4.44Å; T390-I394 VanDerWaalsContact O-CG1 3.27Å; T390-I394 WeakPolarHBondContact O-CG1 3.42Å; T390-I394 PolarHBondContact O-N 3.39Å
391T94.2Very high90.4Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-62.2-45.2178.9-55.20000110.7L136 I137 A364 F365 A368 I387 V388 F393 I394 I395L136-T391 HydrophobicContact CD1-CG2 3.99Å; L136-T391 WeakPolarHBondContact CD1-OG1 3.18Å; I137-T391 HydrophobicContact CD1-CG2 4.21Å; A364-T391 HydrophobicContact CB-CG2 3.92Å; F365-T391 HydrophobicContact CB-CG2 4.46Å; A368-T391 HydrophobicContact CB-CG2 4.26Å; I387-T391 WeakPolarHBondContact O-CB 3.19Å; I387-T391 PolarHBondContact O-N 2.86Å; I387-T391 PolarHBondContact O-OG1 3.42Å; V388-T391 PolarHBondContact O-N 2.87Å; T391-F393 PolarHBondContact O-N 3.14Å; T391-I394 PolarHBondContact O-N 3.33Å; T391-I395 HydrophobicContact CG2-CD1 3.84Å; T391-I395 WeakPolarHBondContact O-CD1 3.47Å; T391-I395 VanDerWaalsContact O-CG1 3.28Å; T391-I395 WeakPolarHBondContact O-CG1 3.29Å; T391-I395 PolarHBondContact O-N 2.98Å
392L92.7Very high90.9Very high8 Ų824.3 Ų24.34%0.04212%0.117CC..Hα-helixtrans-60.4-46.1176.5-176.9153.7000111.6A301 V302 L307 F365 V388 T390 I394 I395 I396A301-L392 HydrophobicContact CB-CD1 4.37Å; V302-L392 HydrophobicContact CB-CD1 4.32Å; V302-L392 HydrophobicContact CB-CD2 4.43Å; V302-L392 HydrophobicContact CG1-CD2 4.23Å; V302-L392 HydrophobicContact CG2-CD1 3.95Å; V302-L392 HydrophobicContact CG2-CD2 3.96Å; V302-L392 HydrophobicContact CG2-CG 4.21Å; L307-L392 HydrophobicContact CD2-CD1 4.47Å; F365-L392 HydrophobicContact CE2-CD1 4.39Å; V388-L392 VanDerWaalsContact O-CB 3.24Å; V388-L392 WeakPolarHBondContact O-CB 3.28Å; V388-L392 PolarHBondContact O-N 3.49Å; T390-L392 VanDerWaalsContact C-N 3.34Å; T390-L392 PolarHBondContact O-N 3.46Å; L392-I394 PolarHBondContact O-N 2.89Å; L392-I395 PolarHBondContact O-N 3.29Å; L392-I396 HydrophobicContact CD2-CD1 3.48Å; L392-I396 VanDerWaalsContact CD2-CD1 3.48Å; L392-I396 HydrophobicContact CD2-CG1 4.36Å; L392-I396 HydrophobicContact CG-CD1 4.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.2Å; L392-I396 PolarHBondContact O-N 3.17Å
393F94.1Very high91.3Very high58 Ų5820.3 Ų20.325%0.25410%0.099SC..Hα-helixtrans-61.1-45.6176.9-179.2-92.4000112W309 I314 L318 T389 T390 T391 I395 I396 F397W309-F393 AromaticContact CH2-CD2 3.86Å; W309-F393 HydrophobicContact CH2-CD2 3.86Å; W309-F393 AromaticContact CH2-CE2 3.84Å; W309-F393 HydrophobicContact CH2-CE2 3.84Å; W309-F393 HydrophobicContact CZ3-CD2 4.07Å; W309-F393 HydrophobicContact CZ3-CE2 4.47Å; I314-F393 HydrophobicContact CG2-CB 3.99Å; I314-F393 HydrophobicContact CG2-CD1 3.14Å; I314-F393 HydrophobicContact CG2-CD2 4.37Å; I314-F393 HydrophobicContact CG2-CE1 3.61Å; I314-F393 HydrophobicContact CG2-CG 3.57Å; I314-F393 HydrophobicContact CG2-CZ 4.4Å; L318-F393 HydrophobicContact CD1-CD1 4.3Å; L318-F393 HydrophobicContact CD1-CE1 3.71Å; T389-F393 WeakPolarHBondContact O-CB 3.35Å; T389-F393 PolarHBondContact O-N 3.23Å; T390-F393 PolarHBondContact O-N 2.65Å; T391-F393 PolarHBondContact O-N 3.14Å; F393-I395 VanDerWaalsContact C-N 3.34Å; F393-I395 PolarHBondContact O-N 3.32Å; F393-I396 PolarHBondContact O-N 2.96Å; F393-F397 VanDerWaalsContact O-CB 3.29Å; F393-F397 WeakPolarHBondContact O-CB 3.29Å; F393-F397 PolarHBondContact O-N 3.22Å
394I95.2Very high91.4Very high1 Ų123 Ų231%0.00511%0.113CC..Hα-helixtrans-63.1-40.7179.1-66.2167000110.8F133 I137 L318 R360 T390 T391 L392 F397 T398F133-I394 HydrophobicContact CZ-CD1 4.18Å; I137-I394 HydrophobicContact CD1-CB 4.24Å; I137-I394 HydrophobicContact CD1-CD1 3.94Å; I137-I394 HydrophobicContact CD1-CG2 4.02Å; I137-I394 HydrophobicContact CG1-CD1 4.1Å; L318-I394 HydrophobicContact CB-CG1 4.31Å; R360-I394 HydrophobicContact CB-CG2 4.22Å; R360-I394 HydrophobicContact CG-CG2 3.64Å; T390-I394 HydrophobicContact CG2-CD1 3.8Å; T390-I394 HydrophobicContact CG2-CG1 4.44Å; T390-I394 VanDerWaalsContact O-CG1 3.27Å; T390-I394 WeakPolarHBondContact O-CG1 3.42Å; T390-I394 PolarHBondContact O-N 3.39Å; T391-I394 PolarHBondContact O-N 3.33Å; L392-I394 PolarHBondContact O-N 2.89Å; I394-F397 PolarHBondContact O-N 3.21Å; I394-T398 HydrophobicContact CG2-CG2 4.2Å; I394-T398 WeakPolarHBondContact O-CB 3.21Å; I394-T398 VanDerWaalsContact O-CG2 3.31Å; I394-T398 WeakPolarHBondContact O-CG2 3.43Å; I394-T398 PolarHBondContact O-N 2.87Å; I394-T398 PolarHBondContact O-OG1 3.44Å
395I93.2Very high91.5Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-65.9-48.6177.9-66.5162.6000110.6L298 R360 G361 A364 F365 T391 L392 F393 F397 T398 V399L298-I395 HydrophobicContact CD1-CB 4.31Å; L298-I395 HydrophobicContact CD1-CD1 3.85Å; L298-I395 HydrophobicContact CD1-CG2 3.67Å; L298-I395 HydrophobicContact CD2-CG2 4.16Å; R360-I395 HydrophobicContact CB-CG1 3.88Å; G361-I395 WeakPolarHBondContact O-CD1 3.3Å; A364-I395 HydrophobicContact CB-CD1 4.43Å; F365-I395 HydrophobicContact CB-CD1 3.59Å; T391-I395 HydrophobicContact CG2-CD1 3.84Å; T391-I395 WeakPolarHBondContact O-CD1 3.47Å; T391-I395 VanDerWaalsContact O-CG1 3.28Å; T391-I395 WeakPolarHBondContact O-CG1 3.29Å; T391-I395 PolarHBondContact O-N 2.98Å; L392-I395 PolarHBondContact O-N 3.29Å; F393-I395 VanDerWaalsContact C-N 3.34Å; F393-I395 PolarHBondContact O-N 3.32Å; I395-F397 VanDerWaalsContact C-N 3.29Å; I395-F397 PolarHBondContact O-N 3.03Å; I395-T398 PolarHBondContact O-N 3.19Å; I395-T398 PolarHBondContact O-OG1 3.4Å; I395-V399 HydrophobicContact CG2-CG2 3.9Å; I395-V399 VanDerWaalsContact O-CB 3.31Å; I395-V399 WeakPolarHBondContact O-CB 3.43Å; I395-V399 WeakPolarHBondContact O-CG2 3.34Å; I395-V399 PolarHBondContact O-N 3.42Å
396I92.1Very high91.4Very high44 Ų4421.6 Ų21.623%0.22611%0.106CC..Iπ-helixtrans-60.2-41.9177.7-67.7176.5000110.9I31 L298 V302 L392 F393 G400I31-I396 HydrophobicContact CG2-CG1 4.41Å; L298-I396 HydrophobicContact CD2-CG1 4.35Å; V302-I396 HydrophobicContact CG1-CD1 4.43Å; V302-I396 HydrophobicContact CG2-CD1 3.69Å; L392-I396 HydrophobicContact CD2-CD1 3.48Å; L392-I396 VanDerWaalsContact CD2-CD1 3.48Å; L392-I396 HydrophobicContact CD2-CG1 4.36Å; L392-I396 HydrophobicContact CG-CD1 4.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.2Å; L392-I396 PolarHBondContact O-N 3.17Å; F393-I396 PolarHBondContact O-N 2.96Å; I396-G400 VanDerWaalsContact O-CA 3.26Å; I396-G400 WeakPolarHBondContact O-CA 3.44Å; I396-G400 PolarHBondContact O-N 3.37Å
397F93.2Very high91Very high63 Ų6323 Ų2328%0.27611%0.112SC..Iπ-helixtrans-65.1-48.3177-177.6-90.6000111.6L318 F393 I394 I395 F401 M402L318-F397 HydrophobicContact CD1-CB 4.11Å; L318-F397 HydrophobicContact CD1-CD1 3.55Å; L318-F397 HydrophobicContact CD1-CD2 4.1Å; L318-F397 HydrophobicContact CD1-CE1 3.93Å; L318-F397 HydrophobicContact CD1-CE2 4.44Å; L318-F397 HydrophobicContact CD1-CG 3.64Å; L318-F397 HydrophobicContact CD1-CZ 4.36Å; L318-F397 HydrophobicContact CD2-CD1 4.45Å; L318-F397 HydrophobicContact CD2-CE1 4.13Å; L318-F397 HydrophobicContact CG-CD1 4.2Å; L318-F397 HydrophobicContact CG-CE1 4.37Å; F393-F397 VanDerWaalsContact O-CB 3.29Å; F393-F397 WeakPolarHBondContact O-CB 3.29Å; F393-F397 PolarHBondContact O-N 3.22Å; I394-F397 PolarHBondContact O-N 3.21Å; I395-F397 VanDerWaalsContact C-N 3.29Å; I395-F397 PolarHBondContact O-N 3.03Å; F397-F401 HydrophobicContact CD2-CB 4.38Å; F397-F401 HydrophobicContact CE1-CD1 4.21Å; F397-F401 HydrophobicContact CE2-CB 4.29Å; F397-F401 HydrophobicContact CE2-CD1 4.28Å; F397-F401 HydrophobicContact CE2-CG 4.33Å; F397-F401 HydrophobicContact CZ-CB 4.47Å; F397-F401 AromaticContact CZ-CD1 3.8Å; F397-F401 HydrophobicContact CZ-CD1 3.8Å; F397-F401 HydrophobicContact CZ-CE1 4.38Å; F397-F401 HydrophobicContact CZ-CG 4.31Å; F397-F401 WeakPolarHBondContact O-CA 3.44Å; F397-F401 WeakPolarHBondContact O-CB 3.19Å; F397-F401 PolarHBondContact O-N 3.05Å; F397-M402 PolarHBondContact O-N 3.26Å
398T92.8Very high90.7Very high2 Ų226.3 Ų26.31%0.01213%0.134CC..Iπ-helixtrans-69.2-57.4-178.653.50000111L359 R360 I394 I395 G400 M402 G403L359-T398 WeakPolarHBondContact CD2-O 3.5Å; R360-T398 HydrophobicContact CG-CG2 4.33Å; R360-T398 PolarHBondContact N-OG1 3.5Å; R360-T398 VanDerWaalsContact N-OG1 3.14Å; I394-T398 HydrophobicContact CG2-CG2 4.2Å; I394-T398 WeakPolarHBondContact O-CB 3.21Å; I394-T398 VanDerWaalsContact O-CG2 3.31Å; I394-T398 WeakPolarHBondContact O-CG2 3.43Å; I394-T398 PolarHBondContact O-N 2.87Å; I394-T398 PolarHBondContact O-OG1 3.44Å; I395-T398 PolarHBondContact O-N 3.19Å; I395-T398 PolarHBondContact O-OG1 3.4Å; T398-G400 VanDerWaalsContact C-N 3.32Å; T398-G400 PolarHBondContact O-N 3.35Å; T398-M402 HydrophobicContact CG2-SD 4.1Å; T398-M402 CarbonylContact O-C 3.54Å; T398-M402 VanDerWaalsContact O-CA 3.29Å; T398-M402 WeakPolarHBondContact O-CA 3.42Å; T398-M402 WeakPolarHBondContact O-CB 3.05Å; T398-M402 PolarHBondContact O-N 3.5Å; T398-G403 PolarHBondContact O-N 3.05Å
399V89.5Confident90.5Very high8 Ų827.6 Ų27.65%0.04814%0.141CC..Iπ-helixtrans-61-39.1-180178.50000112.2F28 I31 R360 I395 G403F28-V399 HydrophobicContact CB-CG1 4.39Å; I31-V399 HydrophobicContact CD1-CB 4.39Å; I31-V399 HydrophobicContact CD1-CG1 3.98Å; R360-V399 WeakPolarHBondContact O-CG2 3.36Å; I395-V399 HydrophobicContact CG2-CG2 3.9Å; I395-V399 VanDerWaalsContact O-CB 3.31Å; I395-V399 WeakPolarHBondContact O-CB 3.43Å; I395-V399 WeakPolarHBondContact O-CG2 3.34Å; I395-V399 PolarHBondContact O-N 3.42Å; V399-G403 VanDerWaalsContact O-CA 3.3Å; V399-G403 WeakPolarHBondContact O-CA 3.45Å; V399-G403 PolarHBondContact O-N 3.05Å
400G87.9Confident90Very high3 Ų327.7 Ų27.73%0.03114%0.141CC..Iπ-helixtrans-75.7-69.6177.900000112.6I396 T398 I404I396-G400 VanDerWaalsContact O-CA 3.26Å; I396-G400 WeakPolarHBondContact O-CA 3.44Å; I396-G400 PolarHBondContact O-N 3.37Å; T398-G400 VanDerWaalsContact C-N 3.32Å; T398-G400 PolarHBondContact O-N 3.35Å; G400-I404 WeakPolarHBondContact O-CB 3.27Å; G400-I404 VanDerWaalsContact O-CD1 3.25Å; G400-I404 WeakPolarHBondContact O-CD1 3.34Å; G400-I404 WeakPolarHBondContact O-CG1 3.46Å; G400-I404 PolarHBondContact O-N 3.08Å; G400-I404 VanDerWaalsContact O-N 3.16Å
401F90.2Very high89.3Confident120 Ų12033.9 Ų33.953%0.52617%0.168SC..Iπ-helixtrans-68.8-54.7-174.4-178.3-101.2000111.8F397 T405F397-F401 HydrophobicContact CD2-CB 4.38Å; F397-F401 HydrophobicContact CE1-CD1 4.21Å; F397-F401 HydrophobicContact CE2-CB 4.29Å; F397-F401 HydrophobicContact CE2-CD1 4.28Å; F397-F401 HydrophobicContact CE2-CG 4.33Å; F397-F401 HydrophobicContact CZ-CB 4.47Å; F397-F401 AromaticContact CZ-CD1 3.8Å; F397-F401 HydrophobicContact CZ-CD1 3.8Å; F397-F401 HydrophobicContact CZ-CE1 4.38Å; F397-F401 HydrophobicContact CZ-CG 4.31Å; F397-F401 WeakPolarHBondContact O-CA 3.44Å; F397-F401 WeakPolarHBondContact O-CB 3.19Å; F397-F401 PolarHBondContact O-N 3.05Å; F401-T405 WeakPolarHBondContact O-CG2 3.24Å; F401-T405 PolarHBondContact O-N 3.24Å; F401-T405 PolarHBondContact O-OG1 3.43Å
402M90.2Very high88.8Confident19 Ų1940.4 Ų40.49%0.09420%0.202CC..Iπ-helixtrans-70.2-35.5-178.8-59-173141.300112.3L322 Y356 L359 F397 T398 T405 M406L322-M402 HydrophobicContact CD1-CE 3.8Å; L322-M402 HydrophobicContact CD2-CE 3.39Å; L322-M402 HydrophobicContact CD2-SD 3.92Å; L322-M402 HydrophobicContact CG-CE 4.25Å; Y356-M402 HydrophobicContact CD2-CE 4.39Å; Y356-M402 HydrophobicContact CE1-CB 4.41Å; Y356-M402 HydrophobicContact CE2-CE 4.06Å; L359-M402 HydrophobicContact CD2-CB 3.91Å; F397-M402 PolarHBondContact O-N 3.26Å; T398-M402 HydrophobicContact CG2-SD 4.1Å; T398-M402 CarbonylContact O-C 3.54Å; T398-M402 VanDerWaalsContact O-CA 3.29Å; T398-M402 WeakPolarHBondContact O-CA 3.42Å; T398-M402 WeakPolarHBondContact O-CB 3.05Å; T398-M402 PolarHBondContact O-N 3.5Å; M402-T405 WeakPolarHBondContact CA-OG1 3.2Å; M402-T405 PolarHBondContact O-N 2.85Å; M402-T405 PolarHBondContact O-OG1 3.29Å; M402-M406 VanDerWaalsContact O-CG 3.25Å; M402-M406 WeakPolarHBondContact O-CG 3.19Å; M402-M406 PolarHBondContact O-N 2.99Å
403G88.7Confident88.3Confident3 Ų341.1 Ų41.13%0.03121%0.206CC..Hα-helixtrans-62.9-44.2177.700000113.2T398 V399 M406T398-G403 PolarHBondContact O-N 3.05Å; V399-G403 VanDerWaalsContact O-CA 3.3Å; V399-G403 WeakPolarHBondContact O-CA 3.45Å; V399-G403 PolarHBondContact O-N 3.05Å; G403-M406 WeakPolarHBondContact O-CB 3.24Å; G403-M406 PolarHBondContact O-N 3.26Å
404I88.1Confident87.2Confident61 Ų6146.7 Ų46.731%0.31323%0.23SC..Hα-helixtrans-64.9-40.2176.7-69.1168.2000111.2P25 F28 G400 M406 P408P25-I404 HydrophobicContact CG-CG1 4.49Å; F28-I404 HydrophobicContact CD1-CD1 3.96Å; F28-I404 HydrophobicContact CE1-CD1 3.87Å; G400-I404 WeakPolarHBondContact O-CB 3.27Å; G400-I404 VanDerWaalsContact O-CD1 3.25Å; G400-I404 WeakPolarHBondContact O-CD1 3.34Å; G400-I404 WeakPolarHBondContact O-CG1 3.46Å; G400-I404 PolarHBondContact O-N 3.08Å; G400-I404 VanDerWaalsContact O-N 3.16Å; I404-M406 VanDerWaalsContact C-N 3.34Å; I404-M406 PolarHBondContact O-N 3.32Å; I404-P408 WeakPolarHBondContact O-CD 3.5Å
405T90Very high86Confident37 Ų3747.5 Ų47.523%0.22723%0.234CC..Hα-helixtrans-81-8.4-17852.20000113.9Y356 F401 M402 K407 P408 L409Y356-T405 WeakPolarHBondContact CE1-OG1 3.25Å; Y356-T405 WeakPolarHBondContact OH-CB 3.38Å; Y356-T405 PolarHBondContact OH-OG1 3.49Å; F401-T405 WeakPolarHBondContact O-CG2 3.24Å; F401-T405 PolarHBondContact O-N 3.24Å; F401-T405 PolarHBondContact O-OG1 3.43Å; M402-T405 WeakPolarHBondContact CA-OG1 3.2Å; M402-T405 PolarHBondContact O-N 2.85Å; M402-T405 PolarHBondContact O-OG1 3.29Å; T405-K407 PolarHBondContact O-N 3.35Å; T405-P408 VanDerWaalsContact O-CD 3.3Å; T405-P408 WeakPolarHBondContact O-CD 3.42Å; T405-P408 VanDerWaalsContact O-CG 3.28Å; T405-P408 WeakPolarHBondContact O-CG 3.48Å; T405-L409 WeakPolarHBondContact O-CB 3.41Å; T405-L409 PolarHBondContact O-N 2.92Å
406M86.7Confident84.5Confident0 Ų056.9 Ų56.90%027%0.269CS..Hα-helixtrans-57.6-48.6174.7-75.8-53.8-47.400112A144 V145 I148 I353 Y356 M402 G403 I404 L409 V410A144-M406 HydrophobicContact CB-CG 4.5Å; V145-M406 HydrophobicContact CB-CE 4.34Å; V145-M406 HydrophobicContact CG1-CE 4.28Å; V145-M406 HydrophobicContact CG2-CE 3.45Å; V145-M406 VanDerWaalsContact CG2-CE 3.45Å; V145-M406 HydrophobicContact CG2-CG 4.11Å; V145-M406 HydrophobicContact CG2-SD 3.76Å; I148-M406 HydrophobicContact CD1-CB 3.41Å; I148-M406 VanDerWaalsContact CD1-CB 3.41Å; I148-M406 HydrophobicContact CD1-CG 4.47Å; I353-M406 HydrophobicContact CG2-CE 4.4Å; Y356-M406 HydrophobicContact CD1-CE 4.07Å; Y356-M406 HydrophobicContact CD1-SD 3.26Å; Y356-M406 WeakPolarHBondContact CD1-SD 3.29Å; Y356-M406 HydrophobicContact CE1-SD 3.81Å; Y356-M406 HydrophobicContact CG-SD 4.27Å; M402-M406 VanDerWaalsContact O-CG 3.25Å; M402-M406 WeakPolarHBondContact O-CG 3.19Å; M402-M406 PolarHBondContact O-N 2.99Å; G403-M406 WeakPolarHBondContact O-CB 3.24Å; G403-M406 PolarHBondContact O-N 3.26Å; I404-M406 VanDerWaalsContact C-N 3.34Å; I404-M406 PolarHBondContact O-N 3.32Å; M406-L409 WeakPolarHBondContact O-CB 3.45Å; M406-L409 PolarHBondContact O-N 3.12Å; M406-V410 HydrophobicContact CE-CG2 4.29Å; M406-V410 WeakPolarHBondContact O-CG2 3.4Å; M406-V410 PolarHBondContact O-N 3.43Å
407K82.6Confident83Confident37 Ų3759.6 Ų59.616%0.16128%0.282CS..Hα-helixtrans-62.4-48.2-173.8-160.9172.7-171.71670113.2S22 I148 T405 L409 V410 K411S22-K407 WeakPolarHBondContact O-CD 3.39Å; S22-K407 WeakPolarHBondContact O-CE 3.45Å; S22-K407 PolarHBondContact O-NZ 3.38Å; I148-K407 HydrophobicContact CD1-CB 3.79Å; I148-K407 HydrophobicContact CD1-CG 4.35Å; I148-K407 HydrophobicContact CG1-CB 4.27Å; I148-K407 HydrophobicContact CG1-CG 4.31Å; T405-K407 PolarHBondContact O-N 3.35Å; K407-L409 VanDerWaalsContact C-N 3.31Å; K407-L409 PolarHBondContact O-N 3.34Å; K407-V410 PolarHBondContact O-N 3.07Å; K407-K411 WeakPolarHBondContact O-CG 3.33Å; K407-K411 PolarHBondContact O-N 3.36Å; K407-K411 VanDerWaalsContact O-N 3.14Å
408P85.5Confident81.4Confident76 Ų7660.3 Ų60.349%0.49429%0.287SS..Hα-helixtrans-64.3-34.9173.823.3-32.1000112.5I404 T405 K411 L412I404-P408 WeakPolarHBondContact O-CD 3.5Å; T405-P408 VanDerWaalsContact O-CD 3.3Å; T405-P408 WeakPolarHBondContact O-CD 3.42Å; T405-P408 VanDerWaalsContact O-CG 3.28Å; T405-P408 WeakPolarHBondContact O-CG 3.48Å; P408-K411 PolarHBondContact O-N 3.16Å; P408-L412 VanDerWaalsContact O-CB 3.32Å; P408-L412 WeakPolarHBondContact O-CB 3.3Å; P408-L412 PolarHBondContact O-N 3.12Å
409L86.8Confident79.7Confident37 Ų3763.9 Ų63.919%0.19431%0.306CS..Hα-helixtrans-62.3-48177.1-176.674.5000112I352 Y356 T405 M406 K407 K411 L412 L413I352-L409 HydrophobicContact CG2-CD2 4.42Å; Y356-L409 HydrophobicContact CD1-CD2 3.23Å; Y356-L409 HydrophobicContact CD2-CD2 4.34Å; Y356-L409 HydrophobicContact CE1-CD2 3.92Å; Y356-L409 HydrophobicContact CG-CD2 3.51Å; T405-L409 WeakPolarHBondContact O-CB 3.41Å; T405-L409 PolarHBondContact O-N 2.92Å; M406-L409 WeakPolarHBondContact O-CB 3.45Å; M406-L409 PolarHBondContact O-N 3.12Å; K407-L409 VanDerWaalsContact C-N 3.31Å; K407-L409 PolarHBondContact O-N 3.34Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 2.91Å; L409-L412 WeakPolarHBondContact O-CB 3.27Å; L409-L412 PolarHBondContact O-N 3.38Å; L409-L413 HydrophobicContact CD1-CD1 4.25Å; L409-L413 PolarHBondContact O-N 3.48Å
410V82Confident78Confident4 Ų469.8 Ų69.82%0.02433%0.331CS..Hα-helixtrans-63.7-41.6179.8174.10000110.8I148 F149 I152 L154 M406 K407 L412 L413 I415I148-V410 HydrophobicContact CG2-CB 4.16Å; I148-V410 HydrophobicContact CG2-CG1 4.08Å; I148-V410 HydrophobicContact CG2-CG2 4.22Å; F149-V410 HydrophobicContact CE1-CG2 4.44Å; I152-V410 HydrophobicContact CD1-CB 4.41Å; I152-V410 HydrophobicContact CD1-CG1 3.57Å; L154-V410 HydrophobicContact CD1-CG1 4.08Å; M406-V410 HydrophobicContact CE-CG2 4.29Å; M406-V410 WeakPolarHBondContact O-CG2 3.4Å; M406-V410 PolarHBondContact O-N 3.43Å; K407-V410 PolarHBondContact O-N 3.07Å; V410-L412 VanDerWaalsContact C-N 3.35Å; V410-L412 PolarHBondContact O-N 3Å; V410-L413 PolarHBondContact O-N 3.2Å; V410-I415 HydrophobicContact CB-CD1 4.41Å; V410-I415 HydrophobicContact CG1-CD1 3.68Å
411K79.9Confident76.6Confident130 Ų13076.1 Ų76.157%0.56536%0.358SS*.Hα-helixtrans-62-40.3173.9-73.4-179.3178.1-175.20112.3K407 P408 L409 K414K407-K411 WeakPolarHBondContact O-CG 3.33Å; K407-K411 PolarHBondContact O-N 3.36Å; K407-K411 VanDerWaalsContact O-N 3.14Å; P408-K411 PolarHBondContact O-N 3.16Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 2.91Å; K411-K414 PolarHBondContact O-N 3.44Å
412L83.5Confident74.9Confident137 Ų13773.4 Ų73.472%0.71735%0.348SS*.Hα-helixtrans-66.1-38.9178.8-177.365.2000112.2P408 L409 V410 K414P408-L412 VanDerWaalsContact O-CB 3.32Å; P408-L412 WeakPolarHBondContact O-CB 3.3Å; P408-L412 PolarHBondContact O-N 3.12Å; L409-L412 WeakPolarHBondContact O-CB 3.27Å; L409-L412 PolarHBondContact O-N 3.38Å; V410-L412 VanDerWaalsContact C-N 3.35Å; V410-L412 PolarHBondContact O-N 3Å; L412-K414 PolarHBondContact O-N 3.47Å
413L81.6Confident73.4Confident24 Ų2474.5 Ų74.513%0.12635%0.354CS..Hα-helixtrans-70.1-16.2-177.2-106.763.2000114K349 I352 I353 L409 V410 I415K349-L413 HydrophobicContact CB-CD2 3.99Å; K349-L413 HydrophobicContact CB-CG 4.36Å; K349-L413 WeakPolarHBondContact CD-O 3.41Å; K349-L413 HydrophobicContact CG-CG 4.43Å; K349-L413 PolarHBondContact NZ-O 3.48Å; K349-L413 VanDerWaalsContact O-CD2 3.27Å; K349-L413 WeakPolarHBondContact O-CD2 3.39Å; I352-L413 HydrophobicContact CB-CD2 4.2Å; I352-L413 HydrophobicContact CG2-CD2 4.18Å; I353-L413 HydrophobicContact CD1-CD2 4.03Å; I353-L413 HydrophobicContact CG1-CD2 3.75Å; L409-L413 HydrophobicContact CD1-CD1 4.25Å; L409-L413 PolarHBondContact O-N 3.48Å; V410-L413 PolarHBondContact O-N 3.2Å; L413-I415 HydrophobicContact CB-CD1 4.1Å; L413-I415 HydrophobicContact CB-CG1 4.06Å; L413-I415 PolarHBondContact O-N 3.14Å
414K72.7Confident72.3Confident175 Ų17576.1 Ų76.176%0.76137%0.365SS*.THydrogen-bonded Turntrans44.360.9-177.2-66.7-173.5178-175.60111.5K411 L412K411-K414 PolarHBondContact O-N 3.44Å; L412-K414 PolarHBondContact O-N 3.47Å
415I68Low71.3Confident18 Ų1875 Ų759%0.09236%0.359CS..PPolyproline II helixtrans-71.2153179.7-54.6126.4000109.2L154 I353 V410 L413 M417L154-I415 HydrophobicContact CD1-CD1 4.35Å; L154-I415 HydrophobicContact CD2-CB 3.6Å; L154-I415 HydrophobicContact CD2-CD1 4.39Å; L154-I415 HydrophobicContact CD2-CG2 3.62Å; I353-I415 HydrophobicContact CD1-CD1 3.22Å; I353-I415 HydrophobicContact CD1-CG1 3.64Å; I353-I415 HydrophobicContact CG1-CD1 4.32Å; V410-I415 HydrophobicContact CB-CD1 4.41Å; V410-I415 HydrophobicContact CG1-CD1 3.68Å; L413-I415 HydrophobicContact CB-CD1 4.1Å; L413-I415 HydrophobicContact CB-CG1 4.06Å; L413-I415 PolarHBondContact O-N 3.14Å; I415-M417 PolarHBondContact O-N 3.44Å
416R62.9Low70.3Confident196 Ų19679.5 Ų79.574%0.7438%0.376SS*.PPolyproline II helixtrans-65.3124.5176.8-69175.4170.7177.4-7.3109.4
417M60.8Low69.4Low101 Ų10182.4 Ų82.450%0.49839%0.389SS..BIsolated β-bridgetrans-70.8155.4170.1-55.5-58.1176.200109.9I152 L154 I415 N419I152-M417 HydrophobicContact CG2-CE 3.19Å; I152-M417 HydrophobicContact CG2-SD 3.34Å; I152-M417 WeakPolarHBondContact CG2-SD 3.16Å; L154-M417 HydrophobicContact CD2-SD 4.11Å; I415-M417 PolarHBondContact O-N 3.44Å; M417-N419 PolarHBondContact O-N 3.27Å; M417-N419 VanDerWaalsContact O-N 3.15Å
418E59.7Low68.8Low79 Ų7981.4 Ų81.437%0.36939%0.387SS..PPolyproline II helixtrans-63118.1167.4-167.5-169.5-167.100109G153 L156 K420 K421G153-E418 PolarHBondContact O-N 3.34Å; L156-E418 HydrophobicContact CD1-CB 4.38Å; L156-E418 HydrophobicContact CD1-CG 4Å; L156-E418 WeakPolarHBondContact CD1-OE1 3.48Å; L156-E418 WeakPolarHBondContact CD1-OE2 3.33Å; E418-K420 PolarHBondContact O-N 3.35Å; E418-K421 IonicContact OE1-NZ 3.14Å; E418-K421 PolarHBondContact OE1-NZ 3.19Å
419N56Low68.1Low77 Ų7778.4 Ų78.441%0.41237%0.367SS..PPolyproline II helixtrans-61.1127170-68.2-19.5000108.6M417 K421 N574M417-N419 PolarHBondContact O-N 3.27Å; M417-N419 VanDerWaalsContact O-N 3.15Å; N419-K421 PolarHBondContact O-N 3.49Å; N419-N574 PolarHBondContact ND2-ND2 2.93Å
420K54.7Low67.7Low132 Ų13278.8 Ų78.857%0.57437%0.369SS*.  trans-50.2114177.5-150.2-177.9-164.2-168.20109E418 I422 D507E418-K420 PolarHBondContact O-N 3.35Å; K420-I422 PolarHBondContact O-N 3.22Å; K420-D507 WeakPolarHBondContact CE-OD1 3.08Å; K420-D507 IonicContact NZ-OD1 2.69Å; K420-D507 PolarHBondContact NZ-OD1 3.27Å
421K57.8Low67.2Low136 Ų13680.8 Ų80.859%0.59138%0.38SS*.  trans-67.2103.4-177.4-76.9-172.4178.6100.70109.8E418 N419 L423E418-K421 IonicContact OE1-NZ 3.14Å; E418-K421 PolarHBondContact OE1-NZ 3.19Å; N419-K421 PolarHBondContact O-N 3.49Å; K421-L423 PolarHBondContact O-N 3.47Å
422I55.2Low66.9Low63 Ų6376.1 Ų76.132%0.32336%0.361SS..  trans-62.4124.6169.2-58171.4000108.1K420 S424 P509K420-I422 PolarHBondContact O-N 3.22Å; I422-S424 VanDerWaalsContact C-N 3.3Å; I422-S424 PolarHBondContact O-N 3.49Å; I422-P509 HydrophobicContact CG2-CB 4.24Å; I422-P509 HydrophobicContact CG2-CG 3.92Å
423L59.3Low66.6Low42 Ų4271.1 Ų71.122%0.2233%0.334CS..  trans-73.485.2178-74.195.9000109.9K421 K486 I487 D507 P509K421-L423 PolarHBondContact O-N 3.47Å; L423-K486 HydrophobicContact CD2-CB 4.01Å; L423-K486 HydrophobicContact CD2-CD 4.13Å; L423-I487 HydrophobicContact CB-CD1 4.47Å; L423-I487 HydrophobicContact CB-CG1 4.23Å; L423-D507 HydrophobicContact CD1-CB 4.18Å; L423-D507 PolarHBondContact N-O 3.35Å; L423-P509 WeakPolarHBondContact O-CD 3.31Å
424S64.8Low66.4Low37 Ų3771.2 Ų71.226%0.25934%0.335SS..  trans-101.5109.5172.7177.50000110.9I422 F426 Q427 S428I422-S424 VanDerWaalsContact C-N 3.3Å; I422-S424 PolarHBondContact O-N 3.49Å; S424-F426 VanDerWaalsContact C-N 3.25Å; S424-F426 PolarHBondContact O-N 2.83Å; S424-Q427 PolarHBondContact O-N 2.77Å; S424-Q427 PolarHBondContact OG-N 3.43Å; S424-S428 PolarHBondContact O-N 3.47Å; S424-S428 VanDerWaalsContact O-N 3.09Å
425L66.3Low66.5Low37 Ų3764 Ų6419%0.19431%0.305CS..Hα-helixtrans-56.7-42.1173.2-174.6114000111.2Q427 S428 L429 L480 Y484 I487 M688L425-Q427 PolarHBondContact O-N 3.3Å; L425-S428 PolarHBondContact O-N 2.93Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 PolarHBondContact O-N 2.62Å; L425-L480 HydrophobicContact CD1-CD1 3.77Å; L425-L480 HydrophobicContact CD1-CG 4.05Å; L425-L480 HydrophobicContact CG-CD1 3.69Å; L425-L480 HydrophobicContact CG-CG 4.36Å; L425-Y484 HydrophobicContact CD1-CD2 4.41Å; L425-I487 HydrophobicContact CB-CD1 4.26Å; L425-M688 HydrophobicContact CD2-SD 4.29Å
426F69.9Low66.9Low132 Ų13267.6 Ų67.658%0.57932%0.321SS*.Hα-helixtrans-62.5-43178.7-175.8-106.4000111.8S424 L429 N430S424-F426 VanDerWaalsContact C-N 3.25Å; S424-F426 PolarHBondContact O-N 2.83Å; F426-L429 PolarHBondContact O-N 3.16Å; F426-N430 WeakPolarHBondContact CE1-ND2 3.43Å; F426-N430 WeakPolarHBondContact CZ-ND2 3.5Å; F426-N430 WeakPolarHBondContact O-CB 3.38Å; F426-N430 PolarHBondContact O-N 3.17Å
427Q67.9Low67.7Low60 Ų6060.2 Ų60.228%0.2830%0.296SS..Hα-helixtrans-63.8-43.2177.5-174.964.8-0.800111.8S424 L425 L429 N431S424-Q427 PolarHBondContact O-N 2.77Å; S424-Q427 PolarHBondContact OG-N 3.43Å; L425-Q427 PolarHBondContact O-N 3.3Å; Q427-L429 VanDerWaalsContact C-N 3.33Å; Q427-L429 PolarHBondContact O-N 3.38Å; Q427-N431 WeakPolarHBondContact O-CB 3.29Å; Q427-N431 PolarHBondContact O-N 2.84Å; Q427-N431 PolarHBondContact O-ND2 3.36Å
428S68.6Low68.6Low17 Ų1755.7 Ų55.712%0.11927%0.274CS..Hα-helixtrans-64.3-39.7176.6-171.90000112S424 L425 N432S424-S428 PolarHBondContact O-N 3.47Å; S424-S428 VanDerWaalsContact O-N 3.09Å; L425-S428 PolarHBondContact O-N 2.93Å; S428-N432 PolarHBondContact O-N 2.98Å; S428-N432 VanDerWaalsContact O-N 3.07Å; S428-N432 PolarHBondContact O-ND2 2.82Å
429L72.3Confident69.3Low12 Ų1252 Ų526%0.06326%0.257CS..Hα-helixtrans-67.1-48.4178.4179.2138.5000111.2L425 F426 Q427 N431 N432 I433 L480 N684L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 PolarHBondContact O-N 2.62Å; F426-L429 PolarHBondContact O-N 3.16Å; Q427-L429 VanDerWaalsContact C-N 3.33Å; Q427-L429 PolarHBondContact O-N 3.38Å; L429-N431 VanDerWaalsContact C-N 3.33Å; L429-N431 PolarHBondContact O-N 3.42Å; L429-N432 PolarHBondContact O-N 3.03Å; L429-I433 HydrophobicContact CD2-CD1 3.45Å; L429-I433 VanDerWaalsContact CD2-CD1 3.45Å; L429-I433 HydrophobicContact CG-CD1 3.94Å; L429-I433 WeakPolarHBondContact O-CD1 3.27Å; L429-I433 VanDerWaalsContact O-CG1 3.31Å; L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 3.29Å; L429-L480 HydrophobicContact CB-CD1 4.27Å; L429-L480 HydrophobicContact CD1-CD2 3.89Å; L429-N684 WeakPolarHBondContact CD2-OD1 3.35Å
430N76.9Confident70.3Confident45 Ų4550.4 Ų50.424%0.24125%0.254CS..Hα-helixtrans-60.1-41.7175.9-85.4-4.7000112.4F426 N432 I433 L434F426-N430 WeakPolarHBondContact CE1-ND2 3.43Å; F426-N430 WeakPolarHBondContact CZ-ND2 3.5Å; F426-N430 WeakPolarHBondContact O-CB 3.38Å; F426-N430 PolarHBondContact O-N 3.17Å; N430-N432 PolarHBondContact O-N 3.15Å; N430-I433 PolarHBondContact O-N 3.38Å; N430-L434 WeakPolarHBondContact O-CB 3.46Å; N430-L434 VanDerWaalsContact O-CG 3.32Å; N430-L434 WeakPolarHBondContact O-CG 3.22Å; N430-L434 PolarHBondContact O-N 3.16Å
431N73.3Confident71.5Confident47 Ų4745.5 Ų45.525%0.25123%0.234SC..Hα-helixtrans-62.9-42.1176.7-81.4-35.8000112.2Q427 L429 I433 L434 D435Q427-N431 WeakPolarHBondContact O-CB 3.29Å; Q427-N431 PolarHBondContact O-N 2.84Å; Q427-N431 PolarHBondContact O-ND2 3.36Å; L429-N431 VanDerWaalsContact C-N 3.33Å; L429-N431 PolarHBondContact O-N 3.42Å; N431-I433 VanDerWaalsContact C-N 3.33Å; N431-I433 PolarHBondContact O-N 2.93Å; N431-L434 PolarHBondContact O-N 3.45Å; N431-D435 VanDerWaalsContact O-CB 3.3Å; N431-D435 WeakPolarHBondContact O-CB 3.41Å; N431-D435 VanDerWaalsContact O-CG 3.25Å; N431-D435 PolarHBondContact O-N 3Å
432N73.6Confident72.4Confident32 Ų3239.3 Ų39.317%0.17121%0.207CC..Hα-helixtrans-62-41.7175.6-72.2-16.3000111.6S428 L429 N430 D435 E436 Y476S428-N432 PolarHBondContact O-N 2.98Å; S428-N432 VanDerWaalsContact O-N 3.07Å; S428-N432 PolarHBondContact O-ND2 2.82Å; L429-N432 PolarHBondContact O-N 3.03Å; N430-N432 PolarHBondContact O-N 3.15Å; N432-D435 PolarHBondContact O-N 3.02Å; N432-E436 VanDerWaalsContact O-CG 3.31Å; N432-E436 WeakPolarHBondContact O-CG 3.4Å; N432-E436 PolarHBondContact O-N 2.99Å; N432-E436 VanDerWaalsContact O-N 3.07Å; N432-Y476 HydrophobicContact CB-CE1 4.45Å; N432-Y476 WeakPolarHBondContact OD1-CE1 3.27Å; N432-Y476 PolarHBondContact OD1-OH 2.82Å
433I75.8Confident73.5Confident31 Ų3141.7 Ų41.716%0.15922%0.219CC..Hα-helixtrans-67.2-45.7178.8-67158000111.3L429 N430 N431 D435 E436 L437 L680 N684L429-I433 HydrophobicContact CD2-CD1 3.45Å; L429-I433 VanDerWaalsContact CD2-CD1 3.45Å; L429-I433 HydrophobicContact CG-CD1 3.94Å; L429-I433 WeakPolarHBondContact O-CD1 3.27Å; L429-I433 VanDerWaalsContact O-CG1 3.31Å; L429-I433 WeakPolarHBondContact O-CG1 3.38Å; L429-I433 PolarHBondContact O-N 3.29Å; N430-I433 PolarHBondContact O-N 3.38Å; N431-I433 VanDerWaalsContact C-N 3.33Å; N431-I433 PolarHBondContact O-N 2.93Å; I433-D435 PolarHBondContact O-N 2.88Å; I433-E436 PolarHBondContact O-N 3.3Å; I433-L437 HydrophobicContact CG2-CD1 4.05Å; I433-L437 HydrophobicContact CG2-CG 4.28Å; I433-L437 WeakPolarHBondContact O-CB 3.31Å; I433-L437 VanDerWaalsContact O-CG 3.31Å; I433-L437 WeakPolarHBondContact O-CG 3.34Å; I433-L437 PolarHBondContact O-N 3.3Å; I433-L680 HydrophobicContact CG2-CD2 3.73Å; I433-N684 WeakPolarHBondContact CD1-OD1 3.49Å
434L78.3Confident74.5Confident26 Ų2645.5 Ų45.514%0.13624%0.239CC..Hα-helixtrans-59.3-38.4177.5-75.7175.1000111.3N430 N431 L438 K582 I586N430-L434 WeakPolarHBondContact O-CB 3.46Å; N430-L434 VanDerWaalsContact O-CG 3.32Å; N430-L434 WeakPolarHBondContact O-CG 3.22Å; N430-L434 PolarHBondContact O-N 3.16Å; N431-L434 PolarHBondContact O-N 3.45Å; L434-L438 VanDerWaalsContact O-CB 3.29Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 PolarHBondContact O-N 3.33Å; L434-K582 HydrophobicContact CD1-CD 4.36Å; L434-I586 HydrophobicContact CD2-CD1 3.96Å
435D74.3Confident75.2Confident25 Ų2546.6 Ų46.613%0.13424%0.241CC..Hα-helixtrans-66.4-48178.6-83.517000112.1N431 N432 I433 L437 L438 A439 R454 K582N431-D435 VanDerWaalsContact O-CB 3.3Å; N431-D435 WeakPolarHBondContact O-CB 3.41Å; N431-D435 VanDerWaalsContact O-CG 3.25Å; N431-D435 PolarHBondContact O-N 3Å; N432-D435 PolarHBondContact O-N 3.02Å; I433-D435 PolarHBondContact O-N 2.88Å; D435-L437 PolarHBondContact O-N 2.79Å; D435-L438 PolarHBondContact O-N 2.98Å; D435-A439 PolarHBondContact O-N 2.98Å; D435-R454 VanDerWaalsContact CB-NH2 3.29Å; D435-R454 IonicContact OD2-CZ 3.16Å; D435-R454 IonicContact OD2-NH1 2.67Å; D435-R454 PolarHBondContact OD2-NH1 3.41Å; D435-R454 IonicContact OD2-NH2 3.33Å; D435-R454 PolarHBondContact OD2-NH2 2.8Å; D435-K582 IonicContact OD1-NZ 3.7Å; D435-K582 PolarHBondContact OD1-NZ 3.34Å
436E76.8Confident75.6Confident93 Ų9351 Ų5144%0.43527%0.265SS..Hα-helixtrans-63.1-39.5175.7-68.7-78.2163.700111.7N432 I433 A439 A440 K458N432-E436 VanDerWaalsContact O-CG 3.31Å; N432-E436 WeakPolarHBondContact O-CG 3.4Å; N432-E436 PolarHBondContact O-N 2.99Å; N432-E436 VanDerWaalsContact O-N 3.07Å; I433-E436 PolarHBondContact O-N 3.3Å; E436-A439 PolarHBondContact O-N 3.28Å; E436-A440 WeakPolarHBondContact O-CB 3.19Å; E436-A440 PolarHBondContact O-N 3.03Å; E436-K458 IonicContact OE1-NZ 3.94Å
437L79.9Confident75.5Confident41 Ų4147.6 Ų47.622%0.21526%0.257CS..Hα-helixtrans-64.5-39.8174.3-76179.4000112.1I433 D435 A440 M441 F676 L680I433-L437 HydrophobicContact CG2-CD1 4.05Å; I433-L437 HydrophobicContact CG2-CG 4.28Å; I433-L437 WeakPolarHBondContact O-CB 3.31Å; I433-L437 VanDerWaalsContact O-CG 3.31Å; I433-L437 WeakPolarHBondContact O-CG 3.34Å; I433-L437 PolarHBondContact O-N 3.3Å; D435-L437 PolarHBondContact O-N 2.79Å; L437-A440 PolarHBondContact O-N 2.69Å; L437-M441 WeakPolarHBondContact O-CB 3.38Å; L437-M441 WeakPolarHBondContact O-CG 3.5Å; L437-M441 PolarHBondContact O-N 2.81Å; L437-F676 HydrophobicContact CD1-CE1 4.17Å; L437-F676 HydrophobicContact CD1-CZ 4.12Å; L437-F676 HydrophobicContact CD2-CZ 3.84Å; L437-L680 HydrophobicContact CD1-CD1 4.43Å; L437-L680 HydrophobicContact CD1-CD2 3.93Å
438L79.9Confident75.1Confident5 Ų553.1 Ų53.13%0.02628%0.28CS..Hα-helixtrans-70.8-37.4-179.8-150149000110.5L434 D435 M441 E442 N451 K585 I586 L589L434-L438 VanDerWaalsContact O-CB 3.29Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 PolarHBondContact O-N 3.33Å; D435-L438 PolarHBondContact O-N 2.98Å; L438-M441 PolarHBondContact O-N 2.83Å; L438-E442 HydrophobicContact CD2-CG 4.06Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.48Å; L438-E442 WeakPolarHBondContact O-CB 3.38Å; L438-E442 WeakPolarHBondContact O-CG 3.25Å; L438-E442 PolarHBondContact O-N 2.78Å; L438-N451 WeakPolarHBondContact CD2-ND2 3.34Å; L438-K585 HydrophobicContact CD1-CD 4.48Å; L438-I586 HydrophobicContact CD1-CG1 4.05Å; L438-L589 HydrophobicContact CD2-CD1 4.31Å; L438-L589 HydrophobicContact CG-CD1 4.42Å
439A73.7Confident74.9Confident2 Ų258.3 Ų58.32%0.01730%0.297CS..Hα-helixtrans-62.2-45.9170.400000112.2D435 E436 M441 E442 I443 N451 D455D435-A439 PolarHBondContact O-N 2.98Å; E436-A439 PolarHBondContact O-N 3.28Å; A439-M441 VanDerWaalsContact C-N 3.34Å; A439-M441 PolarHBondContact O-N 3.45Å; A439-E442 PolarHBondContact O-N 3.1Å; A439-I443 VanDerWaalsContact O-CG1 3.31Å; A439-I443 WeakPolarHBondContact O-CG1 3.24Å; A439-I443 PolarHBondContact O-N 3.45Å; A439-N451 HydrophobicContact CB-CB 4.03Å; A439-D455 WeakPolarHBondContact CB-OD2 3.22Å
440A77.4Confident74.6Confident43 Ų4362 Ų6236%0.35531%0.31SS..Hα-helixtrans-60-43.4175.300000111.9E436 L437 I443 I444E436-A440 WeakPolarHBondContact O-CB 3.19Å; E436-A440 PolarHBondContact O-N 3.03Å; L437-A440 PolarHBondContact O-N 2.69Å; A440-I443 PolarHBondContact O-N 2.9Å; A440-I444 WeakPolarHBondContact O-CD1 3.26Å; A440-I444 VanDerWaalsContact O-CG1 3.26Å; A440-I444 WeakPolarHBondContact O-CG1 3.47Å; A440-I444 PolarHBondContact O-N 2.92Å
441M79.4Confident74Confident29 Ų2960.3 Ų60.314%0.14330%0.301CS..Hα-helixtrans-63.7-41.2174.8-79.8-170-72.600112.5L437 L438 A439 I443 I444 I445 I586 F590L437-M441 WeakPolarHBondContact O-CB 3.38Å; L437-M441 WeakPolarHBondContact O-CG 3.5Å; L437-M441 PolarHBondContact O-N 2.81Å; L438-M441 PolarHBondContact O-N 2.83Å; A439-M441 VanDerWaalsContact C-N 3.34Å; A439-M441 PolarHBondContact O-N 3.45Å; M441-I443 VanDerWaalsContact C-N 3.31Å; M441-I443 PolarHBondContact O-N 3.23Å; M441-I444 PolarHBondContact O-N 3.15Å; M441-I445 WeakPolarHBondContact O-CB 3.4Å; M441-I445 WeakPolarHBondContact O-CD1 3.35Å; M441-I445 WeakPolarHBondContact O-CG1 3.3Å; M441-I445 PolarHBondContact O-N 2.85Å; M441-I586 HydrophobicContact CE-CB 4.28Å; M441-I586 HydrophobicContact CE-CD1 4.12Å; M441-I586 HydrophobicContact CE-CG1 3.73Å; M441-I586 HydrophobicContact CE-CG2 3.81Å; M441-I586 HydrophobicContact SD-CG2 4.23Å; M441-F590 HydrophobicContact SD-CD2 4.47Å; M441-F590 HydrophobicContact SD-CE2 3.63Å; M441-F590 HydrophobicContact SD-CZ 3.91Å
442E76.8Confident73.5Confident6 Ų659.5 Ų59.53%0.02830%0.297CS..Hα-helixtrans-61.3-40.1176.5-80.6179.8-176.600111.9L438 A439 I445 N446 C447 R449 N451 V452L438-E442 HydrophobicContact CD2-CG 4.06Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.48Å; L438-E442 WeakPolarHBondContact O-CB 3.38Å; L438-E442 WeakPolarHBondContact O-CG 3.25Å; L438-E442 PolarHBondContact O-N 2.78Å; A439-E442 PolarHBondContact O-N 3.1Å; E442-I445 PolarHBondContact O-N 2.75Å; E442-N446 PolarHBondContact O-N 3.16Å; E442-N446 VanDerWaalsContact O-N 3.09Å; E442-C447 WeakPolarHBondContact CB-O 3.47Å; E442-C447 PolarHBondContact O-N 3.08Å; E442-R449 HydrophobicContact CG-CB 4.21Å; E442-R449 VanDerWaalsContact OE1-CB 3.29Å; E442-R449 WeakPolarHBondContact OE1-CB 3.5Å; E442-R449 WeakPolarHBondContact OE2-CB 3.24Å; E442-N451 WeakPolarHBondContact OE2-CB 3.5Å; E442-N451 PolarHBondContact OE2-N 3.17Å; E442-V452 HydrophobicContact CB-CG2 3.55Å; E442-V452 PolarHBondContact OE2-N 3.46Å
443I77.9Confident72.8Confident113 Ų11362.6 Ų62.658%0.57931%0.314SS*.Hα-helixtrans-63.3-46.6173.8-65.7165000110.6A439 A440 M441 I445 N446 V452A439-I443 VanDerWaalsContact O-CG1 3.31Å; A439-I443 WeakPolarHBondContact O-CG1 3.24Å; A439-I443 PolarHBondContact O-N 3.45Å; A440-I443 PolarHBondContact O-N 2.9Å; M441-I443 VanDerWaalsContact C-N 3.31Å; M441-I443 PolarHBondContact O-N 3.23Å; I443-I445 VanDerWaalsContact C-N 3.32Å; I443-I445 PolarHBondContact O-N 2.94Å; I443-N446 PolarHBondContact O-N 3.09Å; I443-V452 HydrophobicContact CG1-CG1 4.26Å; I443-V452 HydrophobicContact CG1-CG2 3.83Å
444I80.5Confident72.5Confident123 Ų12364.9 Ų64.963%0.63132%0.32SS*.Hα-helixtrans-63.6-37.5179.3-67.5163.6000111.7A440 M441 N446A440-I444 WeakPolarHBondContact O-CD1 3.26Å; A440-I444 VanDerWaalsContact O-CG1 3.26Å; A440-I444 WeakPolarHBondContact O-CG1 3.47Å; A440-I444 PolarHBondContact O-N 2.92Å; M441-I444 PolarHBondContact O-N 3.15Å; I444-N446 PolarHBondContact O-N 3.45Å
445I80.8Confident72Confident59 Ų5964.6 Ų64.630%0.30332%0.319SS..THydrogen-bonded Turntrans-80.8-1.8178.4-58.2164.9000110.7M441 E442 I443 C447 L589M441-I445 WeakPolarHBondContact O-CB 3.4Å; M441-I445 WeakPolarHBondContact O-CD1 3.35Å; M441-I445 WeakPolarHBondContact O-CG1 3.3Å; M441-I445 PolarHBondContact O-N 2.85Å; E442-I445 PolarHBondContact O-N 2.75Å; I443-I445 VanDerWaalsContact C-N 3.32Å; I443-I445 PolarHBondContact O-N 2.94Å; I445-C447 HydrophobicContact CG2-CB 4.27Å; I445-C447 PolarHBondContact O-N 3.02Å; I445-L589 HydrophobicContact CD1-CB 4.12Å; I445-L589 HydrophobicContact CD1-CD2 4.14Å
446N73.4Confident71.7Confident131 Ų13169 Ų6970%0.70134%0.337SS*.THydrogen-bonded Turntrans49.927.7-171.9-164.227.5000113E442 I443 I444 K448E442-N446 PolarHBondContact O-N 3.16Å; E442-N446 VanDerWaalsContact O-N 3.09Å; I443-N446 PolarHBondContact O-N 3.09Å; I444-N446 PolarHBondContact O-N 3.45Å; N446-K448 PolarHBondContact O-N 3.4Å
447C67.4Low71.2Confident60 Ų6071.3 Ų71.341%0.40535%0.346SS..  trans-94.589.9173.7-79.60000107E442 I445 R449E442-C447 WeakPolarHBondContact CB-O 3.47Å; E442-C447 PolarHBondContact O-N 3.08Å; I445-C447 HydrophobicContact CG2-CB 4.27Å; I445-C447 PolarHBondContact O-N 3.02Å; C447-R449 VanDerWaalsContact C-N 3.34Å; C447-R449 PolarHBondContact O-N 3.42Å
448K59.2Low70.7Confident175 Ų17571 Ų7176%0.76134%0.343SS*.  trans-6397.2171.7-71.8-176.6-178.6178.70108.9N446N446-K448 PolarHBondContact O-N 3.4Å
449R64.8Low70.3Confident126 Ų12675.4 Ų75.448%0.47537%0.366SS..  trans-115.5-174.8176.4-117.5-177.4-154.6-117.2-3.1110.3E442 C447 N451 V452 L453E442-R449 HydrophobicContact CG-CB 4.21Å; E442-R449 VanDerWaalsContact OE1-CB 3.29Å; E442-R449 WeakPolarHBondContact OE1-CB 3.5Å; E442-R449 WeakPolarHBondContact OE2-CB 3.24Å; C447-R449 VanDerWaalsContact C-N 3.34Å; C447-R449 PolarHBondContact O-N 3.42Å; R449-N451 PolarHBondContact O-N 2.91Å; R449-V452 PolarHBondContact O-N 3.08Å; R449-L453 PolarHBondContact O-N 2.88Å; R449-L453 VanDerWaalsContact O-N 3.15Å
450R66.3Low70Confident89 Ų8978 Ų7834%0.33638%0.38SS..Hα-helixtrans-50.1-39.8-177.6-173.9173.471.8163-6.9113.2D342 D343 L453 R454D342-R450 PolarHBondContact O-NH1 2.74Å; D343-R450 IonicContact OD2-CZ 2.73Å; D343-R450 IonicContact OD2-NE 2.79Å; D343-R450 IonicContact OD2-NH2 3.58Å; D343-R450 PolarHBondContact OD2-NH2 3.01Å; R450-L453 PolarHBondContact O-N 3.25Å; R450-R454 WeakPolarHBondContact O-CB 3.31Å; R450-R454 PolarHBondContact O-N 3.45Å
451N65.2Low69.9Low11 Ų1177.1 Ų77.16%0.05937%0.369CS..Hα-helixtrans-71.8-38-175.2-66.6-15.7000111.5L438 A439 E442 R449 R454 D455L438-N451 WeakPolarHBondContact CD2-ND2 3.34Å; A439-N451 HydrophobicContact CB-CB 4.03Å; E442-N451 WeakPolarHBondContact OE2-CB 3.5Å; E442-N451 PolarHBondContact OE2-N 3.17Å; R449-N451 PolarHBondContact O-N 2.91Å; N451-R454 PolarHBondContact O-N 3.22Å; N451-D455 WeakPolarHBondContact O-CB 3.28Å; N451-D455 PolarHBondContact O-N 3.43Å
452V61.5Low69.6Low29 Ų2977.9 Ų77.918%0.17637%0.372CS..Hα-helixtrans-62.9-44.9172.6-176.60000111.7E442 I443 R449 D455 F456E442-V452 HydrophobicContact CB-CG2 3.55Å; E442-V452 PolarHBondContact OE2-N 3.46Å; I443-V452 HydrophobicContact CG1-CG1 4.26Å; I443-V452 HydrophobicContact CG1-CG2 3.83Å; R449-V452 PolarHBondContact O-N 3.08Å; V452-D455 PolarHBondContact O-N 3.38Å; V452-F456 VanDerWaalsContact O-CB 3.26Å; V452-F456 WeakPolarHBondContact O-CB 3.15Å; V452-F456 PolarHBondContact O-N 3.28Å
453L60.1Low69.3Low98 Ų9883.7 Ų83.751%0.51340%0.397SS..Hα-helixtrans-63.8-44.2176.7-73.4175.1000111.5R449 R450 D455 F456 F457R449-L453 PolarHBondContact O-N 2.88Å; R449-L453 VanDerWaalsContact O-N 3.15Å; R450-L453 PolarHBondContact O-N 3.25Å; L453-D455 PolarHBondContact O-N 3.4Å; L453-F456 WeakPolarHBondContact O-CB 2.92Å; L453-F456 PolarHBondContact O-N 3.4Å; L453-F457 WeakPolarHBondContact O-CD2 2.88Å; L453-F457 PolarHBondContact O-N 3.44Å
454R69.8Low69.1Low78 Ų7885.1 Ų85.129%0.29440%0.396SS..Hα-helixtrans-60.4-45.8177.4-176179.867.4169.12.4111.3D435 R450 N451 F456 F457 K458D435-R454 VanDerWaalsContact CB-NH2 3.29Å; D435-R454 IonicContact OD2-CZ 3.16Å; D435-R454 IonicContact OD2-NH1 2.67Å; D435-R454 PolarHBondContact OD2-NH1 3.41Å; D435-R454 IonicContact OD2-NH2 3.33Å; D435-R454 PolarHBondContact OD2-NH2 2.8Å; R450-R454 WeakPolarHBondContact O-CB 3.31Å; R450-R454 PolarHBondContact O-N 3.45Å; N451-R454 PolarHBondContact O-N 3.22Å; R454-F456 VanDerWaalsContact C-N 3.34Å; R454-F457 PolarHBondContact O-N 3.5Å; R454-K458 WeakPolarHBondContact O-CB 3.42Å; R454-K458 PolarHBondContact O-N 3.22Å
455D67.6Low68.8Low20 Ų2082 Ų8211%0.10738%0.38CS..Hα-helixtrans-69.5-34.7178.6-74.4-1.3000111.6A439 N451 V452 L453 K458 N459A439-D455 WeakPolarHBondContact CB-OD2 3.22Å; N451-D455 WeakPolarHBondContact O-CB 3.28Å; N451-D455 PolarHBondContact O-N 3.43Å; V452-D455 PolarHBondContact O-N 3.38Å; L453-D455 PolarHBondContact O-N 3.4Å; D455-K458 PolarHBondContact O-N 3.46Å; D455-N459 WeakPolarHBondContact O-CB 3.13Å; D455-N459 PolarHBondContact O-N 2.84Å; D455-N459 PolarHBondContact O-ND2 3.02Å
456F66.7Low68.7Low118 Ų11880.7 Ų80.752%0.51837%0.372SS..Hα-helixtrans-62.1-51172.4179.9-100.3000111.9V452 L453 R454 K458 N459 I460V452-F456 VanDerWaalsContact O-CB 3.26Å; V452-F456 WeakPolarHBondContact O-CB 3.15Å; V452-F456 PolarHBondContact O-N 3.28Å; L453-F456 WeakPolarHBondContact O-CB 2.92Å; L453-F456 PolarHBondContact O-N 3.4Å; R454-F456 VanDerWaalsContact C-N 3.34Å; F456-K458 VanDerWaalsContact C-N 3.34Å; F456-K458 PolarHBondContact O-N 2.91Å; F456-N459 PolarHBondContact O-N 3.31Å; F456-I460 HydrophobicContact CD1-CD1 3.89Å; F456-I460 HydrophobicContact CD2-CD1 4.49Å; F456-I460 HydrophobicContact CE1-CD1 3.29Å; F456-I460 HydrophobicContact CE1-CG1 4.43Å; F456-I460 HydrophobicContact CE2-CD1 3.97Å; F456-I460 HydrophobicContact CG-CD1 4.47Å; F456-I460 HydrophobicContact CZ-CD1 3.34Å; F456-I460 HydrophobicContact CZ-CG1 4.39Å; F456-I460 WeakPolarHBondContact O-CG1 3.18Å; F456-I460 PolarHBondContact O-N 3.42Å
457F67Low68.8Low141 Ų14179.9 Ų79.962%0.61836%0.362SS*.Hα-helixtrans-61.6-42.1176-83.5-68.1000111.7L453 R454 I460 D461L453-F457 WeakPolarHBondContact O-CD2 2.88Å; L453-F457 PolarHBondContact O-N 3.44Å; R454-F457 PolarHBondContact O-N 3.5Å; F457-I460 PolarHBondContact O-N 2.84Å; F457-D461 WeakPolarHBondContact O-CB 3.27Å; F457-D461 PolarHBondContact O-N 3.45Å
458K70.3Confident69.3Low34 Ų3482.3 Ų82.315%0.14837%0.37CS..Hα-helixtrans-62.3-42.7176.2-175.3-174.6172.2-162.80111.8E436 R454 D455 F456 D461 E462E436-K458 IonicContact OE1-NZ 3.94Å; R454-K458 WeakPolarHBondContact O-CB 3.42Å; R454-K458 PolarHBondContact O-N 3.22Å; D455-K458 PolarHBondContact O-N 3.46Å; F456-K458 VanDerWaalsContact C-N 3.34Å; F456-K458 PolarHBondContact O-N 2.91Å; K458-D461 PolarHBondContact O-N 3.48Å; K458-E462 WeakPolarHBondContact CE-OE1 3.38Å; K458-E462 WeakPolarHBondContact O-CB 3.43Å; K458-E462 WeakPolarHBondContact O-CG 3.38Å; K458-E462 PolarHBondContact O-N 2.91Å
459N70Confident70.1Confident99 Ų9974.3 Ų74.353%0.52934%0.335SS..Hα-helixtrans-66.5-41.2178.2-74.6-19.7000111.8D455 F456 K463D455-N459 WeakPolarHBondContact O-CB 3.13Å; D455-N459 PolarHBondContact O-N 2.84Å; D455-N459 PolarHBondContact O-ND2 3.02Å; F456-N459 PolarHBondContact O-N 3.31Å; N459-K463 WeakPolarHBondContact O-CB 3.42Å; N459-K463 PolarHBondContact O-N 3.41Å
460I69Low70.7Confident57 Ų5768.4 Ų68.429%0.29231%0.313SS..Hα-helixtrans-64.4-45.3173.8-72.5179.4000110.6F456 F457 K463 Y464 I465F456-I460 HydrophobicContact CD1-CD1 3.89Å; F456-I460 HydrophobicContact CD2-CD1 4.49Å; F456-I460 HydrophobicContact CE1-CD1 3.29Å; F456-I460 HydrophobicContact CE1-CG1 4.43Å; F456-I460 HydrophobicContact CE2-CD1 3.97Å; F456-I460 HydrophobicContact CG-CD1 4.47Å; F456-I460 HydrophobicContact CZ-CD1 3.34Å; F456-I460 HydrophobicContact CZ-CG1 4.39Å; F456-I460 WeakPolarHBondContact O-CG1 3.18Å; F456-I460 PolarHBondContact O-N 3.42Å; F457-I460 PolarHBondContact O-N 2.84Å; I460-K463 PolarHBondContact O-N 3.29Å; I460-Y464 PolarHBondContact O-N 3Å; I460-I465 HydrophobicContact CG2-CD1 4.1Å; I460-I465 HydrophobicContact CG2-CG1 4.31Å; I460-I465 PolarHBondContact O-N 3.45Å
461D74.9Confident70.6Confident24 Ų2467.7 Ų67.713%0.12832%0.316CS..Iπ-helixtrans-58.8-50.5179.3-173.350.9000110.9Y266 F457 K458 I465 R466Y266-D461 WeakPolarHBondContact CE1-OD1 3Å; Y266-D461 PolarHBondContact OH-OD1 3.42Å; F457-D461 WeakPolarHBondContact O-CB 3.27Å; F457-D461 PolarHBondContact O-N 3.45Å; K458-D461 PolarHBondContact O-N 3.48Å; D461-I465 PolarHBondContact O-N 2.77Å; D461-R466 WeakPolarHBondContact O-CB 3.01Å; D461-R466 WeakPolarHBondContact O-CG 3.25Å; D461-R466 PolarHBondContact O-N 3.24Å; D461-R466 IonicContact OD2-CZ 2.73Å; D461-R466 IonicContact OD2-NE 2.7Å; D461-R466 PolarHBondContact OD2-NE 3.36Å; D461-R466 IonicContact OD2-NH2 3.54Å
462E72Confident70.5Confident45 Ų4576 Ų7621%0.2135%0.352CS..Iπ-helixtrans-68.4-38179.3-73.7-175.7-173.400113.4K458 Y476K458-E462 WeakPolarHBondContact CE-OE1 3.38Å; K458-E462 WeakPolarHBondContact O-CB 3.43Å; K458-E462 WeakPolarHBondContact O-CG 3.38Å; K458-E462 PolarHBondContact O-N 2.91Å; E462-Y476 VanDerWaalsContact OE1-CB 3.28Å; E462-Y476 WeakPolarHBondContact OE1-CB 3.46Å
463K71.5Confident70.3Confident127 Ų12776.5 Ų76.555%0.55236%0.355SS*.Iπ-helixtrans-79.9-39-173.4-168.6173.7180-172.30112.6N459 I460 K467N459-K463 WeakPolarHBondContact O-CB 3.42Å; N459-K463 PolarHBondContact O-N 3.41Å; I460-K463 PolarHBondContact O-N 3.29Å; K463-K467 WeakPolarHBondContact O-CD 3.41Å
464Y72.6Confident70Confident143 Ų14375.1 Ų75.156%0.56135%0.347SS*.Iπ-helixtrans-117.2-57.1-172.6-61.3-79000112.1I460 K467 L468I460-Y464 PolarHBondContact O-N 3Å; Y464-K467 PolarHBondContact O-N 3.48Å; Y464-L468 VanDerWaalsContact O-CB 3.24Å; Y464-L468 WeakPolarHBondContact O-CB 3.49Å; Y464-L468 PolarHBondContact O-N 3.46Å
465I75.6Confident69.4Low58 Ų5876.5 Ų76.530%0.29735%0.352SS..Iπ-helixtrans-68-52.3-166.5-55.2178.5000111.1Y266 I460 D461 K467 L468 L469Y266-I465 HydrophobicContact CD1-CG2 4.35Å; Y266-I465 HydrophobicContact CE1-CG2 3.63Å; Y266-I465 HydrophobicContact CE2-CG2 4.19Å; I460-I465 HydrophobicContact CG2-CD1 4.1Å; I460-I465 HydrophobicContact CG2-CG1 4.31Å; I460-I465 PolarHBondContact O-N 3.45Å; D461-I465 PolarHBondContact O-N 2.77Å; I465-K467 PolarHBondContact O-N 3.12Å; I465-L468 PolarHBondContact O-N 3.45Å; I465-L469 HydrophobicContact CG2-CD1 3.5Å; I465-L469 HydrophobicContact CG2-CG 4.21Å; I465-L469 WeakPolarHBondContact O-CB 3.45Å; I465-L469 WeakPolarHBondContact O-CG 3.37Å; I465-L469 PolarHBondContact O-N 3.17Å
466R78.7Confident68.9Low32 Ų3277.4 Ų77.412%0.12136%0.355CS..Hα-helixtrans-63.6-39.8179.1-72.6-177.5174.8-107-16.9112.5Y266 D461 L468 Q470 E474Y266-R466 HydrophobicContact CE1-CG 4.16Å; D461-R466 WeakPolarHBondContact O-CB 3.01Å; D461-R466 WeakPolarHBondContact O-CG 3.25Å; D461-R466 PolarHBondContact O-N 3.24Å; D461-R466 IonicContact OD2-CZ 2.73Å; D461-R466 IonicContact OD2-NE 2.7Å; D461-R466 PolarHBondContact OD2-NE 3.36Å; D461-R466 IonicContact OD2-NH2 3.54Å; R466-L468 VanDerWaalsContact C-N 3.28Å; R466-L468 PolarHBondContact O-N 3.01Å; R466-Q470 WeakPolarHBondContact O-CA 3.32Å; R466-Q470 WeakPolarHBondContact O-CB 3.25Å; R466-Q470 PolarHBondContact O-N 3.23Å; R466-E474 PolarHBondContact NH1-O 3.22Å
467K73.9Confident68.4Low113 Ų11376.4 Ų76.449%0.49136%0.355SS..Hα-helixtrans-66.8-32.7177.1-69.7-170-172.3177.20112.6K463 Y464 I465K463-K467 WeakPolarHBondContact O-CD 3.41Å; Y464-K467 PolarHBondContact O-N 3.48Å; I465-K467 PolarHBondContact O-N 3.12Å
468L78.2Confident68.1Low111 Ų11171.8 Ų71.858%0.58134%0.335SS*.Hα-helixtrans-76.3-46.8177.9-172.769.9000111.3Y464 I465 R466Y464-L468 VanDerWaalsContact O-CB 3.24Å; Y464-L468 WeakPolarHBondContact O-CB 3.49Å; Y464-L468 PolarHBondContact O-N 3.46Å; I465-L468 PolarHBondContact O-N 3.45Å; R466-L468 VanDerWaalsContact C-N 3.28Å; R466-L468 PolarHBondContact O-N 3.01Å
469L77.2Confident67.6Low7 Ų773.7 Ų73.74%0.03734%0.343CS..Hα-helixtrans-91.1-28.3-170.2-60.7-179.2000113.9I217 C220 L221 Y266 N270 I465I217-L469 HydrophobicContact CB-CD2 4.47Å; I217-L469 HydrophobicContact CG1-CD2 4.46Å; I217-L469 HydrophobicContact CG2-CD2 3.84Å; C220-L469 HydrophobicContact CB-CB 4.13Å; C220-L469 HydrophobicContact CB-CD2 4Å; C220-L469 HydrophobicContact CB-CG 4.5Å; L221-L469 HydrophobicContact CD2-CD2 4.43Å; Y266-L469 HydrophobicContact CD1-CB 4.44Å; Y266-L469 HydrophobicContact CD1-CD1 4.12Å; Y266-L469 HydrophobicContact CD2-CD1 3.84Å; Y266-L469 HydrophobicContact CE2-CD1 4.25Å; Y266-L469 HydrophobicContact CG-CB 4.39Å; Y266-L469 HydrophobicContact CG-CD1 3.77Å; N270-L469 PolarHBondContact ND2-O 2.98Å; I465-L469 HydrophobicContact CG2-CD1 3.5Å; I465-L469 HydrophobicContact CG2-CG 4.21Å; I465-L469 WeakPolarHBondContact O-CB 3.45Å; I465-L469 WeakPolarHBondContact O-CG 3.37Å; I465-L469 PolarHBondContact O-N 3.17Å
470Q77.7Confident67.4Low3 Ų369.8 Ų69.81%0.01432%0.322CS..  trans-104.3140-176.2-58.4179.7-15.800112.7Y266 H269 N270 R466Y266-Q470 HydrophobicContact CD1-CG 4.44Å; H269-Q470 HydrophobicContact CB-CG 4.32Å; N270-Q470 WeakPolarHBondContact OD1-CA 3.38Å; R466-Q470 WeakPolarHBondContact O-CA 3.32Å; R466-Q470 WeakPolarHBondContact O-CB 3.25Å; R466-Q470 PolarHBondContact O-N 3.23Å
471N62.5Low67.4Low73 Ų7368.1 Ų68.139%0.3931%0.313SS..SBendtrans-70.2-46.7176.6-102.3-24.9000113.3R224 N270R224-N471 WeakPolarHBondContact CD-OD1 3.33Å; R224-N471 HydrophobicContact CG-CB 4.45Å; R224-N471 WeakPolarHBondContact CG-ND2 3.25Å; R224-N471 WeakPolarHBondContact CG-OD1 3.45Å; R224-N471 PolarHBondContact NE-OD1 3.5Å; R224-N471 PolarHBondContact O-ND2 2.83Å; N270-N471 PolarHBondContact OD1-N 3.02Å
472K63.6Low67Low187 Ų18770.5 Ų70.581%0.81332%0.323SS*.SBendtrans-118.5101.1173.4-69.4-176.3179.8-179.70106E474K472-E474 PolarHBondContact O-N 3.29Å
473P57.7Low66.9Low38 Ų3869.8 Ų69.825%0.24732%0.321CS..  trans-65.1113.1-177.624.8-31.8000108.9Y475P473-Y475 HydrophobicContact CB-CE2 4.45Å; P473-Y475 HydrophobicContact CG-CE2 4.02Å; P473-Y475 WeakPolarHBondContact O-CD2 3.44Å; P473-Y475 PolarHBondContact O-N 3.38Å
474E54Low66.9Low70 Ų7069.3 Ų69.333%0.32732%0.316SS..  trans-73.1107.8173.8-133.1179.1-162.700107.1H269 R466 K472 E478 Q482H269-E474 IonicContact CD2-OE2 3.39Å; H269-E474 IonicContact NE2-OE2 2.84Å; R466-E474 PolarHBondContact NH1-O 3.22Å; K472-E474 PolarHBondContact O-N 3.29Å; E474-E478 VanDerWaalsContact CA-OE2 3.32Å; E474-E478 WeakPolarHBondContact CA-OE2 3.34Å; E474-E478 HydrophobicContact CG-CB 4.42Å; E474-E478 WeakPolarHBondContact CG-OE2 3.28Å; E474-Q482 PolarHBondContact OE1-NE2 3.19Å
475Y56.1Low67Low107 Ų10766.7 Ų66.742%0.4231%0.309SS..  trans-77.8149.7-179.7-73.1-82.1000110.2P473 N477 E478P473-Y475 HydrophobicContact CB-CE2 4.45Å; P473-Y475 HydrophobicContact CG-CE2 4.02Å; P473-Y475 WeakPolarHBondContact O-CD2 3.44Å; P473-Y475 PolarHBondContact O-N 3.38Å; Y475-N477 PolarHBondContact O-N 2.99Å; Y475-E478 WeakPolarHBondContact O-CB 3.46Å; Y475-E478 PolarHBondContact O-N 3.05Å
476Y58.3Low66.9Low39 Ų3970 Ų7015%0.15332%0.322CS..Hα-helixtrans-52.6-30.4178.6-171.5-107.9000114R81 N432 E462 E478 K479R81-Y476 VanDerWaalsContact NH1-CD2 3.33Å; N432-Y476 HydrophobicContact CB-CE1 4.45Å; N432-Y476 WeakPolarHBondContact OD1-CE1 3.27Å; N432-Y476 PolarHBondContact OD1-OH 2.82Å; E462-Y476 VanDerWaalsContact OE1-CB 3.28Å; E462-Y476 WeakPolarHBondContact OE1-CB 3.46Å; Y476-E478 VanDerWaalsContact C-N 3.27Å; Y476-E478 PolarHBondContact O-N 3.17Å; Y476-K479 HydrophobicContact CE2-CD 4.21Å; Y476-K479 VanDerWaalsContact O-CB 3.27Å; Y476-K479 WeakPolarHBondContact O-CB 3.31Å; Y476-K479 PolarHBondContact O-N 3.3Å
477N55.7Low66.7Low97 Ų9769.1 Ų69.152%0.51932%0.319SS..Hα-helixtrans-64.3-26176.2-66-20.1000113.8Y475 K479 L480Y475-N477 PolarHBondContact O-N 2.99Å; N477-K479 PolarHBondContact O-N 2.87Å; N477-L480 PolarHBondContact O-N 3.49Å
478E61.1Low66.9Low43 Ų4366.3 Ų66.320%0.20131%0.314CS..Hα-helixtrans-68.4-19.4175.8-66.5-167.4128.100112.4E474 Y475 Y476 L480 F481 Q482 K698E474-E478 VanDerWaalsContact CA-OE2 3.32Å; E474-E478 WeakPolarHBondContact CA-OE2 3.34Å; E474-E478 HydrophobicContact CG-CB 4.42Å; E474-E478 WeakPolarHBondContact CG-OE2 3.28Å; Y475-E478 WeakPolarHBondContact O-CB 3.46Å; Y475-E478 PolarHBondContact O-N 3.05Å; Y476-E478 VanDerWaalsContact C-N 3.27Å; Y476-E478 PolarHBondContact O-N 3.17Å; E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 3.3Å; E478-F481 CarbonylContact O-C 3.59Å; E478-F481 WeakPolarHBondContact O-CA 3.26Å; E478-F481 VanDerWaalsContact O-CB 3.23Å; E478-F481 WeakPolarHBondContact O-CB 3.3Å; E478-F481 PolarHBondContact O-N 3.3Å; E478-Q482 WeakPolarHBondContact O-CG 3.24Å; E478-Q482 PolarHBondContact O-N 3.48Å; E478-K698 IonicContact OE1-NZ 3.67Å; E478-K698 PolarHBondContact OE1-NZ 2.87Å
479K59.6Low66.8Low74 Ų7464.9 Ų64.932%0.32231%0.306SS..Hα-helixtrans-59.1-44171.9-177.4-179.7177.6-177.90111.7Y476 N477 F481 Q482 I483Y476-K479 HydrophobicContact CE2-CD 4.21Å; Y476-K479 VanDerWaalsContact O-CB 3.27Å; Y476-K479 WeakPolarHBondContact O-CB 3.31Å; Y476-K479 PolarHBondContact O-N 3.3Å; N477-K479 PolarHBondContact O-N 2.87Å; K479-F481 PolarHBondContact O-N 3.46Å; K479-Q482 PolarHBondContact O-N 3.12Å; K479-I483 HydrophobicContact CG-CD1 4.38Å; K479-I483 WeakPolarHBondContact O-CG1 3.21Å; K479-I483 PolarHBondContact O-N 3.35Å
480L65.7Low66.7Low17 Ų1768.5 Ų68.59%0.08932%0.319CS..Hα-helixtrans-65.4-34.9177.3-167.764.3000110.4L425 L429 N477 E478 Y484 L691L425-L480 HydrophobicContact CD1-CD1 3.77Å; L425-L480 HydrophobicContact CD1-CG 4.05Å; L425-L480 HydrophobicContact CG-CD1 3.69Å; L425-L480 HydrophobicContact CG-CG 4.36Å; L429-L480 HydrophobicContact CB-CD1 4.27Å; L429-L480 HydrophobicContact CD1-CD2 3.89Å; N477-L480 PolarHBondContact O-N 3.49Å; E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 3.3Å; L480-Y484 WeakPolarHBondContact O-CB 3.44Å; L480-Y484 PolarHBondContact O-N 2.88Å; L480-L691 HydrophobicContact CB-CD2 4.45Å; L480-L691 HydrophobicContact CD2-CD1 3.23Å; L480-L691 HydrophobicContact CD2-CD2 4.21Å; L480-L691 HydrophobicContact CD2-CG 4.31Å; L480-L691 HydrophobicContact CG-CD1 3.99Å; L480-L691 HydrophobicContact CG-CD2 4.5Å
481F68.3Low66.7Low22 Ų2270.5 Ų70.510%0.09633%0.33CS..Hα-helixtrans-65.7-46173.5-169.9-96.3000112.6E478 K479 I483 Y484 E485 K698E478-F481 CarbonylContact O-C 3.59Å; E478-F481 WeakPolarHBondContact O-CA 3.26Å; E478-F481 VanDerWaalsContact O-CB 3.23Å; E478-F481 WeakPolarHBondContact O-CB 3.3Å; E478-F481 PolarHBondContact O-N 3.3Å; K479-F481 PolarHBondContact O-N 3.46Å; F481-I483 VanDerWaalsContact C-N 3.33Å; F481-I483 PolarHBondContact O-N 3.27Å; F481-Y484 CarbonylContact O-C 3.49Å; F481-Y484 WeakPolarHBondContact O-CB 3.49Å; F481-Y484 PolarHBondContact O-N 3.44Å; F481-Y484 VanDerWaalsContact O-N 3.16Å; F481-E485 WeakPolarHBondContact O-CB 3.42Å; F481-E485 PolarHBondContact O-N 2.86Å; F481-K698 HydrophobicContact CD1-CD 4.4Å; F481-K698 HydrophobicContact CE1-CD 3.69Å; F481-K698 HydrophobicContact CZ-CB 4.14Å; F481-K698 HydrophobicContact CZ-CD 3.93Å
482Q68.1Low67.4Low75 Ų7572.5 Ų72.535%0.3534%0.337SS..Hα-helixtrans-62.7-38.1177.2-71.71761.200112E474 E478 K479 E485 K486E474-Q482 PolarHBondContact OE1-NE2 3.19Å; E478-Q482 WeakPolarHBondContact O-CG 3.24Å; E478-Q482 PolarHBondContact O-N 3.48Å; K479-Q482 PolarHBondContact O-N 3.12Å; Q482-E485 PolarHBondContact O-N 2.57Å; Q482-K486 WeakPolarHBondContact O-CG 3.06Å; Q482-K486 PolarHBondContact O-N 3.41Å
483I68.4Low67.9Low30 Ų3070.1 Ų70.115%0.15432%0.323CS..Hα-helixtrans-64-46173.8-67.8167.6000109.9K479 F481 E485 K486 I487K479-I483 HydrophobicContact CG-CD1 4.38Å; K479-I483 WeakPolarHBondContact O-CG1 3.21Å; K479-I483 PolarHBondContact O-N 3.35Å; F481-I483 VanDerWaalsContact C-N 3.33Å; F481-I483 PolarHBondContact O-N 3.27Å; I483-E485 VanDerWaalsContact C-N 3.33Å; I483-E485 PolarHBondContact O-N 2.94Å; I483-K486 PolarHBondContact O-N 2.88Å; I483-I487 HydrophobicContact CG2-CD1 3.84Å; I483-I487 VanDerWaalsContact O-CG1 3.26Å; I483-I487 WeakPolarHBondContact O-CG1 3.16Å; I483-I487 PolarHBondContact O-N 2.76Å
484Y72.8Confident68.8Low116 Ų11668.3 Ų68.346%0.45531%0.312SS..Hα-helixtrans-59.8-43.2175.4178.1-100.6000112.2L425 L480 F481 I487 S488L425-Y484 HydrophobicContact CD1-CD2 4.41Å; L480-Y484 WeakPolarHBondContact O-CB 3.44Å; L480-Y484 PolarHBondContact O-N 2.88Å; F481-Y484 CarbonylContact O-C 3.49Å; F481-Y484 WeakPolarHBondContact O-CB 3.49Å; F481-Y484 PolarHBondContact O-N 3.44Å; F481-Y484 VanDerWaalsContact O-N 3.16Å; Y484-I487 WeakPolarHBondContact O-CB 3.4Å; Y484-I487 PolarHBondContact O-N 2.83Å; Y484-S488 WeakPolarHBondContact O-CB 3.38Å; Y484-S488 PolarHBondContact O-N 3.42Å
485E73.5Confident69.9Low88 Ų8867.4 Ų67.441%0.41132%0.316SS..Hα-helixtrans-61.8-46177.7-173.2-178.9173.900111.4F481 Q482 I483 I487 S488 L489F481-E485 WeakPolarHBondContact O-CB 3.42Å; F481-E485 PolarHBondContact O-N 2.86Å; Q482-E485 PolarHBondContact O-N 2.57Å; I483-E485 VanDerWaalsContact C-N 3.33Å; I483-E485 PolarHBondContact O-N 2.94Å; E485-I487 VanDerWaalsContact C-N 3.34Å; E485-I487 PolarHBondContact O-N 3.4Å; E485-S488 PolarHBondContact O-N 3.21Å; E485-L489 HydrophobicContact CG-CD1 4.26Å; E485-L489 WeakPolarHBondContact O-CB 3.29Å; E485-L489 WeakPolarHBondContact O-CG 3.41Å; E485-L489 PolarHBondContact O-N 3.17Å
486K72.9Confident70.9Confident129 Ų12967.1 Ų67.156%0.56132%0.321SS*.Hα-helixtrans-59.4-43.4174.2-77.9-178.5179.7-177.70112.2L423 Q482 I483 R490L423-K486 HydrophobicContact CD2-CB 4.01Å; L423-K486 HydrophobicContact CD2-CD 4.13Å; Q482-K486 WeakPolarHBondContact O-CG 3.06Å; Q482-K486 PolarHBondContact O-N 3.41Å; I483-K486 PolarHBondContact O-N 2.88Å; K486-R490 WeakPolarHBondContact O-CG 3.3Å; K486-R490 PolarHBondContact O-N 2.9Å; K486-R490 VanDerWaalsContact O-N 3.1Å
487I75Confident71.7Confident13 Ų1372.4 Ų72.47%0.06734%0.341CS..Hα-helixtrans-60.6-49.6175.7-71.8167000109.8L423 L425 I483 Y484 E485 L489 R490 L491 L508L423-I487 HydrophobicContact CB-CD1 4.47Å; L423-I487 HydrophobicContact CB-CG1 4.23Å; L425-I487 HydrophobicContact CB-CD1 4.26Å; I483-I487 HydrophobicContact CG2-CD1 3.84Å; I483-I487 VanDerWaalsContact O-CG1 3.26Å; I483-I487 WeakPolarHBondContact O-CG1 3.16Å; I483-I487 PolarHBondContact O-N 2.76Å; Y484-I487 WeakPolarHBondContact O-CB 3.4Å; Y484-I487 PolarHBondContact O-N 2.83Å; E485-I487 VanDerWaalsContact C-N 3.34Å; E485-I487 PolarHBondContact O-N 3.4Å; I487-L489 PolarHBondContact O-N 3.44Å; I487-R490 PolarHBondContact O-N 3.02Å; I487-L491 HydrophobicContact CG2-CD1 3.66Å; I487-L491 WeakPolarHBondContact O-CD1 3.46Å; I487-L491 PolarHBondContact O-N 3.08Å; I487-L508 HydrophobicContact CB-CD2 4.09Å; I487-L508 HydrophobicContact CG1-CD2 3.82Å; I487-L508 HydrophobicContact CG2-CD2 3.66Å
488S77.9Confident72.6Confident54 Ų5471.3 Ų71.338%0.37834%0.338SS..Hα-helixtrans-60.7-44.1179.9-172.50000112.4Y484 E485 R490 L491 H492Y484-S488 WeakPolarHBondContact O-CB 3.38Å; Y484-S488 PolarHBondContact O-N 3.42Å; E485-S488 PolarHBondContact O-N 3.21Å; S488-R490 PolarHBondContact O-N 2.91Å; S488-L491 PolarHBondContact O-N 3.33Å; S488-H492 WeakPolarHBondContact O-CB 3.21Å; S488-H492 PolarHBondContact O-N 3.1Å
489L76.6Confident73.1Confident81 Ų8177 Ų7742%0.42437%0.37SS..Hα-helixtrans-61.6-42.8176.6-81.9167.9000111.8E485 I487 H492 Y493E485-L489 HydrophobicContact CG-CD1 4.26Å; E485-L489 WeakPolarHBondContact O-CB 3.29Å; E485-L489 WeakPolarHBondContact O-CG 3.41Å; E485-L489 PolarHBondContact O-N 3.17Å; I487-L489 PolarHBondContact O-N 3.44Å; L489-H492 WeakPolarHBondContact O-CB 3.2Å; L489-H492 PolarHBondContact O-N 3.47Å; L489-Y493 WeakPolarHBondContact O-CD2 3.17Å; L489-Y493 PolarHBondContact O-N 3.06Å
490R74.5Confident73.8Confident82 Ų8278.2 Ų78.231%0.30938%0.377SS..Hα-helixtrans-66.5-42.9177.8-75.2-167.1177.9-147.814.7113K486 I487 S488 H492 Y493 A494 L504 D507 L508K486-R490 WeakPolarHBondContact O-CG 3.3Å; K486-R490 PolarHBondContact O-N 2.9Å; K486-R490 VanDerWaalsContact O-N 3.1Å; I487-R490 PolarHBondContact O-N 3.02Å; S488-R490 PolarHBondContact O-N 2.91Å; R490-H492 PolarHBondContact O-N 3.43Å; R490-Y493 PolarHBondContact O-N 3.29Å; R490-A494 WeakPolarHBondContact O-CB 3.43Å; R490-A494 PolarHBondContact O-N 3.49Å; R490-L504 PolarHBondContact NH1-O 3.41Å; R490-D507 IonicContact CZ-OD2 2.75Å; R490-D507 VanDerWaalsContact NH1-CB 3.31Å; R490-D507 IonicContact NH1-OD2 2.67Å; R490-D507 PolarHBondContact NH1-OD2 3.27Å; R490-D507 IonicContact NH2-OD2 3.78Å; R490-D507 PolarHBondContact NH2-OD2 3.43Å; R490-L508 HydrophobicContact CB-CD1 3.97Å
491L79.3Confident74Confident46 Ų4678.1 Ų78.124%0.24138%0.378CS..Hα-helixtrans-58.2-39.4172.2-85.5146.3000111.2I487 S488 A495 I512 Y516I487-L491 HydrophobicContact CG2-CD1 3.66Å; I487-L491 WeakPolarHBondContact O-CD1 3.46Å; I487-L491 PolarHBondContact O-N 3.08Å; S488-L491 PolarHBondContact O-N 3.33Å; L491-A495 PolarHBondContact O-N 3.08Å; L491-A495 VanDerWaalsContact O-N 3.09Å; L491-I512 HydrophobicContact CD1-CG2 4.16Å; L491-I512 HydrophobicContact CD2-CG2 4.29Å; L491-Y516 HydrophobicContact CD2-CD2 3.56Å; L491-Y516 HydrophobicContact CD2-CE2 4.27Å; L491-Y516 HydrophobicContact CD2-CG 4.1Å
492H76Confident74.1Confident115 Ų11584.7 Ų84.753%0.53241%0.407SS..Hα-helixtrans-67.2-46176.1-168.753.4000112.3S488 L489 R490 A494 A495 I496S488-H492 WeakPolarHBondContact O-CB 3.21Å; S488-H492 PolarHBondContact O-N 3.1Å; L489-H492 WeakPolarHBondContact O-CB 3.2Å; L489-H492 PolarHBondContact O-N 3.47Å; R490-H492 PolarHBondContact O-N 3.43Å; H492-A494 VanDerWaalsContact C-N 3.34Å; H492-A494 PolarHBondContact O-N 3.41Å; H492-A495 WeakPolarHBondContact O-CB 3.32Å; H492-A495 PolarHBondContact O-N 3.35Å; H492-A495 VanDerWaalsContact O-N 3.09Å; H492-I496 WeakPolarHBondContact O-CG1 3.02Å; H492-I496 PolarHBondContact O-N 2.89Å
493Y75.4Confident74.2Confident137 Ų13785.8 Ų85.854%0.53742%0.421SS..Hα-helixtrans-61.2-40.4175.1-82.9-64.3000112.7L489 R490 A495 I496 R497L489-Y493 WeakPolarHBondContact O-CD2 3.17Å; L489-Y493 PolarHBondContact O-N 3.06Å; R490-Y493 PolarHBondContact O-N 3.29Å; Y493-A495 PolarHBondContact O-N 3.24Å; Y493-I496 PolarHBondContact O-N 3.26Å; Y493-R497 PolarHBondContact O-N 3.39Å
494A75.8Confident74.1Confident0 Ų087 Ų870%043%0.427CS..Hα-helixtrans-62.8-33.1174.600000112.1R490 H492 R497 L505 Y516R490-A494 WeakPolarHBondContact O-CB 3.43Å; R490-A494 PolarHBondContact O-N 3.49Å; H492-A494 VanDerWaalsContact C-N 3.34Å; H492-A494 PolarHBondContact O-N 3.41Å; A494-R497 CarbonylContact O-C 3.57Å; A494-L505 HydrophobicContact CB-CD1 4.1Å; A494-L505 HydrophobicContact CB-CD2 3.77Å; A494-L505 HydrophobicContact CB-CG 3.88Å; A494-Y516 VanDerWaalsContact C-OH 3.29Å; A494-Y516 HydrophobicContact CB-CE1 4.16Å; A494-Y516 PolarHBondContact O-OH 3.38Å
495A77Confident74.1Confident51 Ų5181.5 Ų81.542%0.42141%0.406SS..Hα-helixtrans-72.8-33.2174.500000113.6L491 H492 Y493 Y516L491-A495 PolarHBondContact O-N 3.08Å; L491-A495 VanDerWaalsContact O-N 3.09Å; H492-A495 WeakPolarHBondContact O-CB 3.32Å; H492-A495 PolarHBondContact O-N 3.35Å; H492-A495 VanDerWaalsContact O-N 3.09Å; Y493-A495 PolarHBondContact O-N 3.24Å; A495-Y516 WeakPolarHBondContact CA-OH 3.27Å; A495-Y516 WeakPolarHBondContact CB-OH 3.4Å; A495-Y516 PolarHBondContact N-OH 3Å; A495-Y516 VanDerWaalsContact N-OH 3.09Å
496I77Confident74Confident101 Ų10181.1 Ų81.152%0.51841%0.41SS..Hα-helixtrans-73.1-33.8175.3-64165000111H492 Y493H492-I496 WeakPolarHBondContact O-CG1 3.02Å; H492-I496 PolarHBondContact O-N 2.89Å; Y493-I496 PolarHBondContact O-N 3.26Å
497R76.1Confident73.8Confident150 Ų15076.1 Ų76.157%0.56639%0.389SS*.  trans-123.878.2-177.7-68.3-170.5174-172.70.4112.1Y493 A494 N499 Q500 S501 L504Y493-R497 PolarHBondContact O-N 3.39Å; A494-R497 CarbonylContact O-C 3.57Å; R497-N499 VanDerWaalsContact C-N 3.29Å; R497-N499 PolarHBondContact O-N 2.88Å; R497-Q500 PolarHBondContact O-N 3.36Å; R497-S501 PolarHBondContact O-N 3.28Å; R497-L504 HydrophobicContact CB-CD1 4.31Å
498P73.8Confident73.5Confident73 Ų7375.6 Ų75.647%0.47439%0.387SS..G310 helixtrans-61-35.8-175.423.4-33.4000113Q500 S501P498-Q500 PolarHBondContact O-N 3.48Å; P498-S501 VanDerWaalsContact O-CB 3.23Å; P498-S501 WeakPolarHBondContact O-CB 3.4Å; P498-S501 PolarHBondContact O-N 2.82Å; P498-S501 VanDerWaalsContact O-N 3.12Å; P498-S501 PolarHBondContact O-OG 3.04Å
499N72.4Confident73.2Confident163 Ų16374 Ų7487%0.87238%0.375SS*.G310 helixtrans-64.6-26.9-178.5-59.9-0.4000113.2R497R497-N499 VanDerWaalsContact C-N 3.29Å; R497-N499 PolarHBondContact O-N 2.88Å
500Q73.1Confident72.8Confident99 Ų9976 Ų7646%0.46339%0.386SS..G310 helixtrans-104.36.2179-67.2178.4-20.100112.2R497 P498 K502 C503 L504R497-Q500 PolarHBondContact O-N 3.36Å; P498-Q500 PolarHBondContact O-N 3.48Å; Q500-K502 PolarHBondContact O-N 3.02Å; Q500-C503 PolarHBondContact O-N 3.27Å; Q500-C503 VanDerWaalsContact O-N 3.12Å; Q500-L504 HydrophobicContact CB-CD1 4.05Å; Q500-L504 HydrophobicContact CB-CG 4.48Å; Q500-L504 WeakPolarHBondContact O-CG 3.45Å; Q500-L504 PolarHBondContact O-N 3.39Å
501S70.9Confident72.6Confident15 Ų1577.4 Ų77.411%0.10540%0.404CS..Hα-helixtrans-57.4-43-172.458.10000113.1R497 P498 C503 L504 L505R497-S501 PolarHBondContact O-N 3.28Å; P498-S501 VanDerWaalsContact O-CB 3.23Å; P498-S501 WeakPolarHBondContact O-CB 3.4Å; P498-S501 PolarHBondContact O-N 2.82Å; P498-S501 VanDerWaalsContact O-N 3.12Å; P498-S501 PolarHBondContact O-OG 3.04Å; S501-C503 VanDerWaalsContact C-N 3.34Å; S501-C503 PolarHBondContact O-N 3.46Å; S501-L504 PolarHBondContact O-N 3.32Å; S501-L505 VanDerWaalsContact O-CB 3.31Å; S501-L505 WeakPolarHBondContact O-CB 3.29Å; S501-L505 WeakPolarHBondContact O-CD1 3.33Å; S501-L505 WeakPolarHBondContact O-CG 3.39Å; S501-L505 PolarHBondContact O-N 3.42Å
502K69.4Low72.1Confident161 Ų16178 Ų7870%0.741%0.407SS*.Hα-helixtrans-58-43.7176.9-73.4-174.4178.7-178.70112.5Q500 T506 L517Q500-K502 PolarHBondContact O-N 3.02Å; K502-T506 WeakPolarHBondContact O-CG2 3.32Å; K502-L517 HydrophobicContact CG-CD1 4.48Å; K502-L517 HydrophobicContact CG-CD2 4.44Å
503C71.3Confident71.8Confident97 Ų9773.3 Ų73.366%0.65539%0.386SS*.Hα-helixtrans-69.6-38.4178.5-178.20000112.1Q500 S501 L505 T506Q500-C503 PolarHBondContact O-N 3.27Å; Q500-C503 VanDerWaalsContact O-N 3.12Å; S501-C503 VanDerWaalsContact C-N 3.34Å; S501-C503 PolarHBondContact O-N 3.46Å; C503-L505 VanDerWaalsContact C-N 3.31Å; C503-L505 PolarHBondContact O-N 2.97Å; C503-T506 WeakPolarHBondContact O-CG2 3.41Å; C503-T506 PolarHBondContact O-OG1 3.45Å
504L66.4Low71.5Confident55 Ų5574.7 Ų74.729%0.28839%0.392SS..Hα-helixtrans-70.4-27.4179.1-71162.4000113.2R490 R497 Q500 S501R490-L504 PolarHBondContact NH1-O 3.41Å; R497-L504 HydrophobicContact CB-CD1 4.31Å; Q500-L504 HydrophobicContact CB-CD1 4.05Å; Q500-L504 HydrophobicContact CB-CG 4.48Å; Q500-L504 WeakPolarHBondContact O-CG 3.45Å; Q500-L504 PolarHBondContact O-N 3.39Å; S501-L504 PolarHBondContact O-N 3.32Å
505L71.1Confident71.4Confident1 Ų181.5 Ų81.51%0.00542%0.421CS..THydrogen-bonded Turntrans-94.61.2-174.3-63.3171.4000114.2A494 S501 C503 D507 L508 T513 Y516A494-L505 HydrophobicContact CB-CD1 4.1Å; A494-L505 HydrophobicContact CB-CD2 3.77Å; A494-L505 HydrophobicContact CB-CG 3.88Å; S501-L505 VanDerWaalsContact O-CB 3.31Å; S501-L505 WeakPolarHBondContact O-CB 3.29Å; S501-L505 WeakPolarHBondContact O-CD1 3.33Å; S501-L505 WeakPolarHBondContact O-CG 3.39Å; S501-L505 PolarHBondContact O-N 3.42Å; C503-L505 VanDerWaalsContact C-N 3.31Å; C503-L505 PolarHBondContact O-N 2.97Å; L505-D507 PolarHBondContact O-N 3.49Å; L505-D507 VanDerWaalsContact O-N 3.1Å; L505-L508 HydrophobicContact CB-CD1 4.48Å; L505-L508 HydrophobicContact CD2-CD1 3.38Å; L505-L508 WeakPolarHBondContact O-CB 3.28Å; L505-L508 PolarHBondContact O-N 2.78Å; L505-L508 VanDerWaalsContact O-N 3.1Å; L505-T513 HydrophobicContact CB-CG2 3.72Å; L505-T513 HydrophobicContact CD1-CG2 4.07Å; L505-T513 PolarHBondContact O-OG1 3.5Å; L505-Y516 HydrophobicContact CD1-CD1 3.53Å; L505-Y516 HydrophobicContact CD1-CE1 4.03Å; L505-Y516 HydrophobicContact CD1-CG 4.25Å
506T71.3Confident71.3Confident80 Ų8080.5 Ų80.549%0.49141%0.407SS..THydrogen-bonded Turntrans-59.3-25.3-176.259.40000114.7K502 C503K502-T506 WeakPolarHBondContact O-CG2 3.32Å; C503-T506 WeakPolarHBondContact O-CG2 3.41Å; C503-T506 PolarHBondContact O-OG1 3.45Å
507D68.5Low71Confident24 Ų2477.6 Ų77.613%0.12839%0.392CS..THydrogen-bonded Turntrans-97.10.3-176.2-47.7-20.2000112.5K420 L423 R490 L505K420-D507 WeakPolarHBondContact CE-OD1 3.08Å; K420-D507 IonicContact NZ-OD1 2.69Å; K420-D507 PolarHBondContact NZ-OD1 3.27Å; L423-D507 HydrophobicContact CD1-CB 4.18Å; L423-D507 PolarHBondContact N-O 3.35Å; R490-D507 IonicContact CZ-OD2 2.75Å; R490-D507 VanDerWaalsContact NH1-CB 3.31Å; R490-D507 IonicContact NH1-OD2 2.67Å; R490-D507 PolarHBondContact NH1-OD2 3.27Å; R490-D507 IonicContact NH2-OD2 3.78Å; R490-D507 PolarHBondContact NH2-OD2 3.43Å; L505-D507 PolarHBondContact O-N 3.49Å; L505-D507 VanDerWaalsContact O-N 3.1Å
508L70.1Confident70.8Confident3 Ų372.5 Ų72.52%0.01638%0.378CS..SBendtrans-89.8150.2173.7-80.3148.7000109.8I487 R490 L505 D510 I512I487-L508 HydrophobicContact CB-CD2 4.09Å; I487-L508 HydrophobicContact CG1-CD2 3.82Å; I487-L508 HydrophobicContact CG2-CD2 3.66Å; R490-L508 HydrophobicContact CB-CD1 3.97Å; L505-L508 HydrophobicContact CB-CD1 4.48Å; L505-L508 HydrophobicContact CD2-CD1 3.38Å; L505-L508 WeakPolarHBondContact O-CB 3.28Å; L505-L508 PolarHBondContact O-N 2.78Å; L505-L508 VanDerWaalsContact O-N 3.1Å; L508-D510 PolarHBondContact O-N 3.14Å; L508-I512 HydrophobicContact CD2-CD1 4.46Å; L508-I512 HydrophobicContact CD2-CG2 4.44Å
509P70.7Confident70.8Confident20 Ų2073.2 Ų73.213%0.1338%0.378CS..  trans-55.5136.8173.6-18.828.3000110.7I422 L423 T511 I512 T513I422-P509 HydrophobicContact CG2-CB 4.24Å; I422-P509 HydrophobicContact CG2-CG 3.92Å; L423-P509 WeakPolarHBondContact O-CD 3.31Å; P509-T511 PolarHBondContact O-N 3.33Å; P509-I512 HydrophobicContact CB-CG1 4.48Å; P509-I512 HydrophobicContact CG-CD1 4.12Å; P509-I512 HydrophobicContact CG-CG1 4.47Å; P509-I512 PolarHBondContact O-N 2.79Å; P509-T513 PolarHBondContact O-N 3.21Å; P509-T513 VanDerWaalsContact O-N 3.12Å; P509-T513 PolarHBondContact O-OG1 3.32Å
510D69.8Low70.6Confident124 Ų12468.4 Ų68.466%0.66335%0.35SS*.Hα-helixtrans-54.4-31.7-177.8-58-44.7000112.6L508 I512 T513 Y514L508-D510 PolarHBondContact O-N 3.14Å; D510-I512 VanDerWaalsContact C-N 3.34Å; D510-I512 PolarHBondContact O-N 2.95Å; D510-T513 PolarHBondContact O-N 3.37Å; D510-Y514 WeakPolarHBondContact O-CA 3.5Å; D510-Y514 WeakPolarHBondContact O-CB 3.29Å; D510-Y514 PolarHBondContact O-N 2.96Å
511T69.6Low70.1Confident111 Ų11168.7 Ų68.768%0.68135%0.354SS*.Hα-helixtrans-59.5-40.8174.652.40000113.2P509 K515P509-T511 PolarHBondContact O-N 3.33Å; T511-K515 VanDerWaalsContact O-CB 3.26Å; T511-K515 WeakPolarHBondContact O-CB 3.34Å; T511-K515 PolarHBondContact O-N 3.33Å; T511-K515 VanDerWaalsContact O-N 3.14Å
512I67.8Low69.7Low57 Ų5770.4 Ų70.429%0.29237%0.366SS..Hα-helixtrans-75.2-44.6177.7-59.2-177.2000109.6L491 L508 P509 D510 K515 Y516L491-I512 HydrophobicContact CD1-CG2 4.16Å; L491-I512 HydrophobicContact CD2-CG2 4.29Å; L508-I512 HydrophobicContact CD2-CD1 4.46Å; L508-I512 HydrophobicContact CD2-CG2 4.44Å; P509-I512 HydrophobicContact CB-CG1 4.48Å; P509-I512 HydrophobicContact CG-CD1 4.12Å; P509-I512 HydrophobicContact CG-CG1 4.47Å; P509-I512 PolarHBondContact O-N 2.79Å; D510-I512 VanDerWaalsContact C-N 3.34Å; D510-I512 PolarHBondContact O-N 2.95Å; I512-K515 PolarHBondContact O-N 2.64Å; I512-Y516 WeakPolarHBondContact O-CB 3.1Å; I512-Y516 PolarHBondContact O-N 3.2Å
513T69.3Low69.3Low18 Ų1866.8 Ų66.811%0.1135%0.354CS..Hα-helixtrans-60.8-47.5179.4-57.60000111.2L505 P509 D510 Y516 L517L505-T513 HydrophobicContact CB-CG2 3.72Å; L505-T513 HydrophobicContact CD1-CG2 4.07Å; L505-T513 PolarHBondContact O-OG1 3.5Å; P509-T513 PolarHBondContact O-N 3.21Å; P509-T513 VanDerWaalsContact O-N 3.12Å; P509-T513 PolarHBondContact O-OG1 3.32Å; D510-T513 PolarHBondContact O-N 3.37Å; T513-Y516 PolarHBondContact O-N 3.05Å; T513-L517 HydrophobicContact CG2-CD1 3.87Å; T513-L517 HydrophobicContact CG2-CG 4.44Å; T513-L517 WeakPolarHBondContact O-CB 3.32Å; T513-L517 VanDerWaalsContact O-CG 3.3Å; T513-L517 WeakPolarHBondContact O-CG 3.43Å; T513-L517 PolarHBondContact O-N 2.78Å
514Y69.5Low68.7Low166 Ų16666.6 Ų66.665%0.65135%0.346SS*.Hα-helixtrans-61.3-46.4175.3-175.2-97.4000111.6D510 Y516 L517 T518D510-Y514 WeakPolarHBondContact O-CA 3.5Å; D510-Y514 WeakPolarHBondContact O-CB 3.29Å; D510-Y514 PolarHBondContact O-N 2.96Å; Y514-Y516 VanDerWaalsContact C-N 3.27Å; Y514-Y516 PolarHBondContact O-N 2.91Å; Y514-L517 PolarHBondContact O-N 3.49Å; Y514-T518 HydrophobicContact CD1-CG2 3.9Å; Y514-T518 HydrophobicContact CD2-CG2 4.28Å; Y514-T518 HydrophobicContact CE1-CG2 3.51Å; Y514-T518 HydrophobicContact CE2-CG2 3.91Å; Y514-T518 HydrophobicContact CG-CG2 4.27Å; Y514-T518 WeakPolarHBondContact O-CB 3.41Å; Y514-T518 VanDerWaalsContact O-CG2 3.3Å; Y514-T518 WeakPolarHBondContact O-CG2 3.32Å; Y514-T518 PolarHBondContact O-N 3.36Å; Y514-T518 PolarHBondContact O-OG1 2.99Å
515K75Confident67.9Low142 Ų14268.3 Ų68.362%0.61736%0.355SS*.Hα-helixtrans-60.4-36.9176.1-175.2171.8-176.9172.80112.4T511 I512 T518 N519T511-K515 VanDerWaalsContact O-CB 3.26Å; T511-K515 WeakPolarHBondContact O-CB 3.34Å; T511-K515 PolarHBondContact O-N 3.33Å; T511-K515 VanDerWaalsContact O-N 3.14Å; I512-K515 PolarHBondContact O-N 2.64Å; K515-T518 WeakPolarHBondContact CA-OG1 3.47Å; K515-T518 PolarHBondContact O-OG1 3.26Å; K515-T518 VanDerWaalsContact O-OG1 3.11Å; K515-N519 WeakPolarHBondContact O-CB 3.49Å; K515-N519 VanDerWaalsContact O-CG 3.28Å; K515-N519 PolarHBondContact O-N 2.89Å; K515-N519 PolarHBondContact O-ND2 2.61Å
516Y74.3Confident67.1Low30 Ų3072.9 Ų72.912%0.11838%0.38CS..Hα-helixtrans-70-49.1176.5179.3-91000111.8L491 A494 A495 L505 I512 T513 Y514 N519 Q520L491-Y516 HydrophobicContact CD2-CD2 3.56Å; L491-Y516 HydrophobicContact CD2-CE2 4.27Å; L491-Y516 HydrophobicContact CD2-CG 4.1Å; A494-Y516 VanDerWaalsContact C-OH 3.29Å; A494-Y516 HydrophobicContact CB-CE1 4.16Å; A494-Y516 PolarHBondContact O-OH 3.38Å; A495-Y516 WeakPolarHBondContact CA-OH 3.27Å; A495-Y516 WeakPolarHBondContact CB-OH 3.4Å; A495-Y516 PolarHBondContact N-OH 3Å; A495-Y516 VanDerWaalsContact N-OH 3.09Å; L505-Y516 HydrophobicContact CD1-CD1 3.53Å; L505-Y516 HydrophobicContact CD1-CE1 4.03Å; L505-Y516 HydrophobicContact CD1-CG 4.25Å; I512-Y516 WeakPolarHBondContact O-CB 3.1Å; I512-Y516 PolarHBondContact O-N 3.2Å; T513-Y516 PolarHBondContact O-N 3.05Å; Y514-Y516 VanDerWaalsContact C-N 3.27Å; Y514-Y516 PolarHBondContact O-N 2.91Å; Y516-N519 PolarHBondContact O-N 3.49Å; Y516-Q520 HydrophobicContact CD1-CG 4.29Å; Y516-Q520 HydrophobicContact CE1-CG 3.77Å; Y516-Q520 PolarHBondContact O-N 3.23Å; Y516-Q520 PolarHBondContact OH-NE2 2.83Å
517L71.2Confident66.2Low40 Ų4073.1 Ų73.121%0.20938%0.378CS..Hα-helixtrans-64.8-41.5-179-70.4171.4000112K502 T513 Y514 N519 Q520 L521K502-L517 HydrophobicContact CG-CD1 4.48Å; K502-L517 HydrophobicContact CG-CD2 4.44Å; T513-L517 HydrophobicContact CG2-CD1 3.87Å; T513-L517 HydrophobicContact CG2-CG 4.44Å; T513-L517 WeakPolarHBondContact O-CB 3.32Å; T513-L517 VanDerWaalsContact O-CG 3.3Å; T513-L517 WeakPolarHBondContact O-CG 3.43Å; T513-L517 PolarHBondContact O-N 2.78Å; Y514-L517 PolarHBondContact O-N 3.49Å; L517-N519 VanDerWaalsContact C-N 3.34Å; L517-N519 PolarHBondContact O-N 2.81Å; L517-Q520 PolarHBondContact O-N 3.43Å; L517-Q520 VanDerWaalsContact O-N 3.16Å; L517-L521 WeakPolarHBondContact O-CG 3.39Å; L517-L521 PolarHBondContact O-N 3.03Å
518T71.9Confident64.9Low44 Ų4476 Ų7627%0.2739%0.393SS..Hα-helixtrans-62.9-39.4175.148.60000112.2Y514 K515 Q520 L521 S522Y514-T518 HydrophobicContact CD1-CG2 3.9Å; Y514-T518 HydrophobicContact CD2-CG2 4.28Å; Y514-T518 HydrophobicContact CE1-CG2 3.51Å; Y514-T518 HydrophobicContact CE2-CG2 3.91Å; Y514-T518 HydrophobicContact CG-CG2 4.27Å; Y514-T518 WeakPolarHBondContact O-CB 3.41Å; Y514-T518 VanDerWaalsContact O-CG2 3.3Å; Y514-T518 WeakPolarHBondContact O-CG2 3.32Å; Y514-T518 PolarHBondContact O-N 3.36Å; Y514-T518 PolarHBondContact O-OG1 2.99Å; K515-T518 WeakPolarHBondContact CA-OG1 3.47Å; K515-T518 PolarHBondContact O-OG1 3.26Å; K515-T518 VanDerWaalsContact O-OG1 3.11Å; T518-Q520 VanDerWaalsContact C-N 3.33Å; T518-Q520 PolarHBondContact O-N 3.45Å; T518-L521 PolarHBondContact O-N 3.01Å; T518-S522 WeakPolarHBondContact O-CB 3.36Å; T518-S522 PolarHBondContact O-N 3.43Å; T518-S522 PolarHBondContact O-OG 3.16Å
519N72.4Confident63.8Low88 Ų8880.1 Ų80.147%0.47141%0.414SS..Hα-helixtrans-64.7-34.9172.9-80.8-11.5000112.7K515 Y516 L517 S522 I523K515-N519 WeakPolarHBondContact O-CB 3.49Å; K515-N519 VanDerWaalsContact O-CG 3.28Å; K515-N519 PolarHBondContact O-N 2.89Å; K515-N519 PolarHBondContact O-ND2 2.61Å; Y516-N519 PolarHBondContact O-N 3.49Å; L517-N519 VanDerWaalsContact C-N 3.34Å; L517-N519 PolarHBondContact O-N 2.81Å; N519-S522 PolarHBondContact O-OG 3Å; N519-I523 WeakPolarHBondContact O-CD1 3.46Å; N519-I523 VanDerWaalsContact O-CG1 3.23Å; N519-I523 WeakPolarHBondContact O-CG1 3.19Å; N519-I523 PolarHBondContact O-N 3.14Å
520Q68.8Low62.8Low61 Ų6183.9 Ų83.929%0.28543%0.433SS..Hα-helixtrans-72.3-40.9175.1-71.2-67.8-100112.2Y516 L517 T518 S522 I523 N524Y516-Q520 HydrophobicContact CD1-CG 4.29Å; Y516-Q520 HydrophobicContact CE1-CG 3.77Å; Y516-Q520 PolarHBondContact O-N 3.23Å; Y516-Q520 PolarHBondContact OH-NE2 2.83Å; L517-Q520 PolarHBondContact O-N 3.43Å; L517-Q520 VanDerWaalsContact O-N 3.16Å; T518-Q520 VanDerWaalsContact C-N 3.33Å; T518-Q520 PolarHBondContact O-N 3.45Å; Q520-S522 VanDerWaalsContact C-N 3.34Å; Q520-S522 PolarHBondContact O-N 3.07Å; Q520-I523 PolarHBondContact O-N 2.86Å; Q520-N524 PolarHBondContact O-N 2.77Å
521L63.7Low61.6Low106 Ų10682.8 Ų82.856%0.55543%0.426SS*.Hα-helixtrans-63.5-39175.9-71.7172.2000111.8L517 T518 N524 N525L517-L521 WeakPolarHBondContact O-CG 3.39Å; L517-L521 PolarHBondContact O-N 3.03Å; T518-L521 PolarHBondContact O-N 3.01Å; L521-N524 PolarHBondContact O-N 3.23Å; L521-N525 WeakPolarHBondContact O-CB 3.37Å; L521-N525 PolarHBondContact O-N 3.01Å
522S61.6Low60.2Low51 Ų5181.5 Ų81.536%0.35742%0.415SS..Hα-helixtrans-66.2-38.1176.467.20000112.2T518 N519 Q520 N526T518-S522 WeakPolarHBondContact O-CB 3.36Å; T518-S522 PolarHBondContact O-N 3.43Å; T518-S522 PolarHBondContact O-OG 3.16Å; N519-S522 PolarHBondContact O-OG 3Å; Q520-S522 VanDerWaalsContact C-N 3.34Å; Q520-S522 PolarHBondContact O-N 3.07Å; S522-N526 WeakPolarHBondContact O-CB 3.46Å; S522-N526 PolarHBondContact O-N 3.29Å; S522-N526 PolarHBondContact O-ND2 3.28Å
523I61.4Low59.3Low85 Ų8582.9 Ų82.944%0.43642%0.423SS..Hα-helixtrans-64-46.1174-66.8164.7000110.7N519 Q520 N526 N527N519-I523 WeakPolarHBondContact O-CD1 3.46Å; N519-I523 VanDerWaalsContact O-CG1 3.23Å; N519-I523 WeakPolarHBondContact O-CG1 3.19Å; N519-I523 PolarHBondContact O-N 3.14Å; Q520-I523 PolarHBondContact O-N 2.86Å; I523-N526 PolarHBondContact O-N 3.34Å; I523-N527 VanDerWaalsContact O-CG 3.25Å; I523-N527 PolarHBondContact O-N 2.99Å; I523-N527 PolarHBondContact O-ND2 2.86Å
524N58.3Low58.1Low92 Ų9287.6 Ų87.649%0.49245%0.448SS..Hα-helixtrans-66.1-42178.5-83.9-4.4000112.7Q520 L521 N526 N527 I528Q520-N524 PolarHBondContact O-N 2.77Å; L521-N524 PolarHBondContact O-N 3.23Å; N524-N526 PolarHBondContact O-N 3.46Å; N524-N527 PolarHBondContact O-N 3.45Å; N524-I528 WeakPolarHBondContact O-CG1 3.33Å; N524-I528 PolarHBondContact O-N 3.29Å
525N49.3Very low56.7Low91 Ų9182.2 Ų82.249%0.48743%0.432SS..Hα-helixtrans-64.3-41176.7-81.4-2.5000111.7L521 N527 I528 I529L521-N525 WeakPolarHBondContact O-CB 3.37Å; L521-N525 PolarHBondContact O-N 3.01Å; N525-N527 VanDerWaalsContact C-N 3.26Å; N525-N527 PolarHBondContact O-N 3.33Å; N525-I528 PolarHBondContact O-N 2.87Å; N525-I529 WeakPolarHBondContact O-CB 3.34Å; N525-I529 VanDerWaalsContact O-CG1 3.25Å; N525-I529 WeakPolarHBondContact O-CG1 3.42Å; N525-I529 PolarHBondContact O-N 3.45Å
526N53.9Low54.9Low97 Ų9781.1 Ų81.152%0.51943%0.433SS..Hα-helixtrans-62.8-36.2175.5-71.8-12.7000111.7S522 I523 N524 N530S522-N526 WeakPolarHBondContact O-CB 3.46Å; S522-N526 PolarHBondContact O-N 3.29Å; S522-N526 PolarHBondContact O-ND2 3.28Å; I523-N526 PolarHBondContact O-N 3.34Å; N524-N526 PolarHBondContact O-N 3.46Å; N526-N530 WeakPolarHBondContact O-CB 3.44Å; N526-N530 PolarHBondContact O-N 3Å
527N52.9Low53.6Low85 Ų8586.6 Ų86.646%0.45546%0.464SS..Hα-helixtrans-68.1-41.6174.4-68.7-16.7000111.9I523 N524 N525 N530 I531I523-N527 VanDerWaalsContact O-CG 3.25Å; I523-N527 PolarHBondContact O-N 2.99Å; I523-N527 PolarHBondContact O-ND2 2.86Å; N524-N527 PolarHBondContact O-N 3.45Å; N525-N527 VanDerWaalsContact C-N 3.26Å; N525-N527 PolarHBondContact O-N 3.33Å; N527-N530 PolarHBondContact O-N 3.47Å; N527-I531 WeakPolarHBondContact O-CD1 3.41Å; N527-I531 VanDerWaalsContact O-CG1 3.24Å; N527-I531 WeakPolarHBondContact O-CG1 3.17Å; N527-I531 PolarHBondContact O-N 2.73Å
528I40.6Very low51.9Low86 Ų8688.9 Ų88.944%0.44148%0.483SS..Hα-helixtrans-66.3-41.7176.4-66165.3000111.2N524 N525 N530 I531 N532N524-I528 WeakPolarHBondContact O-CG1 3.33Å; N524-I528 PolarHBondContact O-N 3.29Å; N525-I528 PolarHBondContact O-N 2.87Å; I528-N530 VanDerWaalsContact C-N 3.32Å; I528-N530 PolarHBondContact O-N 3.13Å; I528-I531 PolarHBondContact O-N 3.4Å; I528-N532 WeakPolarHBondContact O-CB 3.44Å; I528-N532 PolarHBondContact O-N 2.7Å
529I47.2Very low50Low89 Ų8992.4 Ų92.446%0.45650%0.501SS..Hα-helixtrans-62.3-41.7176.6-68.4164000110.3N525 N532 N533N525-I529 WeakPolarHBondContact O-CB 3.34Å; N525-I529 VanDerWaalsContact O-CG1 3.25Å; N525-I529 WeakPolarHBondContact O-CG1 3.42Å; N525-I529 PolarHBondContact O-N 3.45Å; I529-N532 PolarHBondContact O-N 2.8Å; I529-N533 WeakPolarHBondContact O-CB 3.17Å; I529-N533 PolarHBondContact O-N 2.94Å; I529-N533 PolarHBondContact O-ND2 3.22Å
530N49.4Very low48.1Very low99 Ų9995.5 Ų95.553%0.52952%0.517SS..Hα-helixtrans-66.3-36.8175.1-82-10.9000112.6N526 N527 I528 N534N526-N530 WeakPolarHBondContact O-CB 3.44Å; N526-N530 PolarHBondContact O-N 3Å; N527-N530 PolarHBondContact O-N 3.47Å; I528-N530 VanDerWaalsContact C-N 3.32Å; I528-N530 PolarHBondContact O-N 3.13Å; N530-N534 WeakPolarHBondContact O-CB 3.32Å; N530-N534 PolarHBondContact O-N 3.42Å
531I44.7Very low46.3Very low101 Ų10199.7 Ų99.752%0.51854%0.542SS..Hα-helixtrans-68.3-41.5174.7-67.3162.8000110.8N527 I528 N534 T535N527-I531 WeakPolarHBondContact O-CD1 3.41Å; N527-I531 VanDerWaalsContact O-CG1 3.24Å; N527-I531 WeakPolarHBondContact O-CG1 3.17Å; N527-I531 PolarHBondContact O-N 2.73Å; I528-I531 PolarHBondContact O-N 3.4Å; I531-N534 PolarHBondContact O-N 3.45Å; I531-T535 HydrophobicContact CG2-CG2 4.39Å; I531-T535 WeakPolarHBondContact O-CB 3.35Å; I531-T535 WeakPolarHBondContact O-CG2 3.26Å; I531-T535 PolarHBondContact O-N 3.13Å; I531-T535 PolarHBondContact O-OG1 3.12Å
532N40.4Very low44.8Very low83 Ų83101.4 Ų101.444%0.44455%0.551SS.*Hα-helixtrans-67.6-38.2177-80.93000112I528 I529 N534 T535 N536I528-N532 WeakPolarHBondContact O-CB 3.44Å; I528-N532 PolarHBondContact O-N 2.7Å; I529-N532 PolarHBondContact O-N 2.8Å; N532-N534 VanDerWaalsContact C-N 3.32Å; N532-T535 VanDerWaalsContact CA-OG1 3.28Å; N532-T535 WeakPolarHBondContact CA-OG1 3.42Å; N532-T535 PolarHBondContact O-N 3.2Å; N532-T535 PolarHBondContact O-OG1 3.39Å; N532-N536 WeakPolarHBondContact O-CB 3.37Å; N532-N536 PolarHBondContact O-N 3.36Å; N532-N536 PolarHBondContact O-ND2 3.23Å
533N50.6Low43.2Very low87 Ų87106.1 Ų106.147%0.46557%0.573SS.*Hα-helixtrans-67.6-36.2173.9-71-15000111.4I529 N537I529-N533 WeakPolarHBondContact O-CB 3.17Å; I529-N533 PolarHBondContact O-N 2.94Å; I529-N533 PolarHBondContact O-ND2 3.22Å; N533-N537 PolarHBondContact O-N 3.37Å
534N44.1Very low41.8Very low117 Ų117109.4 Ų109.463%0.62659%0.591SS**Hα-helixtrans-72.8-33.8174.7-78-9000113.1N530 I531 N532 S538N530-N534 WeakPolarHBondContact O-CB 3.32Å; N530-N534 PolarHBondContact O-N 3.42Å; I531-N534 PolarHBondContact O-N 3.45Å; N532-N534 VanDerWaalsContact C-N 3.32Å; N534-S538 PolarHBondContact O-N 3.02Å
535T38.2Very low40.2Very low53 Ų53112.9 Ų112.933%0.32561%0.61SS.*Hα-helixtrans-81.4-32.1177.245.40000112.7I531 N532 N537 S538 N539I531-T535 HydrophobicContact CG2-CG2 4.39Å; I531-T535 WeakPolarHBondContact O-CB 3.35Å; I531-T535 WeakPolarHBondContact O-CG2 3.26Å; I531-T535 PolarHBondContact O-N 3.13Å; I531-T535 PolarHBondContact O-OG1 3.12Å; N532-T535 VanDerWaalsContact CA-OG1 3.28Å; N532-T535 WeakPolarHBondContact CA-OG1 3.42Å; N532-T535 PolarHBondContact O-N 3.2Å; N532-T535 PolarHBondContact O-OG1 3.39Å; T535-N537 PolarHBondContact O-N 3.42Å; T535-S538 CarbonylContact O-C 3.57Å; T535-S538 WeakPolarHBondContact O-CA 3.46Å; T535-S538 PolarHBondContact O-N 3.46Å; T535-N539 PolarHBondContact O-N 3.39Å
536N38.4Very low39.1Very low118 Ų118121 Ų12163%0.63163%0.633SS**Hα-helixtrans-62.4-28.3168.5-74.3-14.7000111.7N532 S538N532-N536 WeakPolarHBondContact O-CB 3.37Å; N532-N536 PolarHBondContact O-N 3.36Å; N532-N536 PolarHBondContact O-ND2 3.23Å; N536-S538 VanDerWaalsContact C-N 3.29Å
537N46.3Very low37.6Very low146 Ų146119.6 Ų119.678%0.78164%0.642SS**THydrogen-bonded Turntrans-77.2-11.5169.7-82.6-7.4000114.1N533 T535N533-N537 PolarHBondContact O-N 3.37Å; T535-N537 PolarHBondContact O-N 3.42Å
538S35.2Very low36.2Very low87 Ų87119.2 Ų119.261%0.60865%0.646SS**THydrogen-bonded Turntrans-116.9-6.1-175.9-159.10000114.8N534 T535 N536 N540N534-S538 PolarHBondContact O-N 3.02Å; T535-S538 CarbonylContact O-C 3.57Å; T535-S538 WeakPolarHBondContact O-CA 3.46Å; T535-S538 PolarHBondContact O-N 3.46Å; N536-S538 VanDerWaalsContact C-N 3.29Å; S538-N540 VanDerWaalsContact C-N 3.31Å; S538-N540 PolarHBondContact O-N 2.96Å
539N32.3Very low35.4Very low118 Ų118122.8 Ų122.863%0.63167%0.666SS**  trans-95.660.7177.4-76.7-8.3000111.6T535T535-N539 PolarHBondContact O-N 3.39Å
540N33.6Very low34.3Very low154 Ų154128.4 Ų128.482%0.82468%0.683SS**  trans-101.681.1137-112.9-6.4000105.3S538S538-N540 VanDerWaalsContact C-N 3.31Å; S538-N540 PolarHBondContact O-N 2.96Å
541N31Very low33.1Very low149 Ų149127.3 Ų127.380%0.79768%0.683SS**SBendtrans-178.8127.6147.8-90.6-25.5000111
542N32.2Very low32.2Very low142 Ų142129.3 Ų129.376%0.75969%0.694SS**  trans-44.7138.5171.1-61.6-39.1000112.4
543N27.9Very low31.6Very low150 Ų150129.4 Ų129.480%0.80270%0.697SS**  176.4139.7111.2-87.8-25.3000112.1N545N543-N545 PolarHBondContact O-N 2.79Å
544N30.8Very low30.5Very low153 Ų153131.5 Ų131.582%0.81871%0.708SS**  trans-44.4126170.9-60.2-41.9000112.1
545N25.3Very low29.6Very low166 Ų166133 Ų13389%0.88872%0.715SS**  trans-147.695.3151.7-95.3-23.6000109.1N543 G547N543-N545 PolarHBondContact O-N 2.79Å; N545-G547 PolarHBondContact O-N 3.49Å
546R25.6Very low29.1Very low260 Ų260135.5 Ų135.598%0.98173%0.725SS**  trans-65.7103.1159.9-76.3177169.4163-3.8107
547G22.9Very low28.5Very low68 Ų68136.2 Ų136.270%0.70173%0.729SS**  trans-113.7107.8170.800000108.4N545N545-G547 PolarHBondContact O-N 3.49Å
548S23.7Very low27.5Very low77 Ų77134.6 Ų134.654%0.53872%0.724SS.*  trans-42.5129.1-176.846.40000115.3Y550S548-Y550 WeakPolarHBondContact O-CD2 3.18Å; S548-Y550 PolarHBondContact O-N 3.21Å; S548-Y550 WeakPolarHBondContact OG-CE2 3.33Å
549D22.8Very low27Very low162 Ų162140.2 Ų140.287%0.86673%0.734SS**  trans-54100.5161.2-65.9-46.6000109.6S551D549-S551 PolarHBondContact O-N 3.32Å
550Y24.3Very low26.8Very low206 Ų206139.6 Ų139.681%0.80874%0.736SS**  trans-80.499162.2-72.5-77.2000107.4S548 I552S548-Y550 WeakPolarHBondContact O-CD2 3.18Å; S548-Y550 PolarHBondContact O-N 3.21Å; S548-Y550 WeakPolarHBondContact OG-CE2 3.33Å; Y550-I552 PolarHBondContact O-N 3.35Å
551S25Very low26.3Very low77 Ų77138.7 Ų138.754%0.53873%0.731SS.*  trans-57.6125.3173.546.60000110.2D549 T553D549-S551 PolarHBondContact O-N 3.32Å; S551-T553 PolarHBondContact O-N 3.28Å
552I25.8Very low25.9Very low143 Ų143137.7 Ų137.773%0.73373%0.726SS**G310 helixtrans-60.71.9-179-72.1170.9000113.4Y550 D554 I556Y550-I552 PolarHBondContact O-N 3.35Å; I552-D554 VanDerWaalsContact C-N 3.34Å; I552-D554 PolarHBondContact O-N 3.02Å; I552-I556 WeakPolarHBondContact O-CG1 3.36Å
553T27.1Very low25.5Very low84 Ų84140.3 Ų140.352%0.51573%0.731SS.*G310 helixtrans-69.5-26.8-179.450.40000113.8S551S551-T553 PolarHBondContact O-N 3.28Å
554D28.2Very low25.3Very low132 Ų132140.4 Ų140.471%0.70673%0.73SS**G310 helixtrans-90.2-10-166.1-653.1000113.9I552I552-D554 VanDerWaalsContact C-N 3.34Å; I552-D554 PolarHBondContact O-N 3.02Å
555I25.8Very low24.9Very low148 Ų148140.9 Ų140.976%0.75973%0.733SS**G310 helixtrans-93.6-13.8176.4-57.9175.8000111.4N557I555-N557 PolarHBondContact O-N 3.49Å; I555-N557 VanDerWaalsContact O-N 3.17Å
556I25.8Very low24.9Very low106 Ų106141.2 Ų141.254%0.54473%0.729SS.*THydrogen-bonded Turntrans-65.2-21.6-175-67.1174.5000112.7I552 T558I552-I556 WeakPolarHBondContact O-CG1 3.36Å; I556-T558 PolarHBondContact O-N 3.47Å
557N26.2Very low24.9Very low132 Ų132135.9 Ų135.971%0.70672%0.72SS**THydrogen-bonded Turntrans-92.416.3-172.1-71.2-20.5000116.1I555I555-N557 PolarHBondContact O-N 3.49Å; I555-N557 VanDerWaalsContact O-N 3.17Å
558T24.8Very low25Very low112 Ų112139.5 Ų139.569%0.68772%0.723SS**SBendtrans-117.668.7174.4-40.70000110.9I556I556-T558 PolarHBondContact O-N 3.47Å
559Y26.4Very low25.2Very low205 Ų205143.2 Ų143.280%0.80474%0.737SS**SBendtrans172.2143.3146-91.8-68.5000107.7
560P26.5Very low25.6Very low106 Ų106141.2 Ų141.269%0.68873%0.726SS**  trans-71.2135.4-15828.6-32.2000112.4D562P560-D562 VanDerWaalsContact C-N 3.27Å; P560-D562 PolarHBondContact O-N 2.67Å
561N23.7Very low25.7Very low134 Ų134133.8 Ų133.872%0.71770%0.701SS**  trans-67.370.5-179.4-67.9-43.7000112.9
562D23Very low26.1Very low128 Ų128136.2 Ų136.268%0.68471%0.706SS**  trans-96.2121.6161.4-67.5-28.2000108.6P560P560-D562 VanDerWaalsContact C-N 3.27Å; P560-D562 PolarHBondContact O-N 2.67Å
563F24.6Very low26.4Very low197 Ų197134.3 Ų134.386%0.86470%0.697SS**  trans82.665.6171.4-50.7-78.4000117.8
564I22.7Very low26.8Very low153 Ų153133.4 Ų133.479%0.78569%0.689SS**  trans-131.598.2141.1-55.4175.7000106.4
565D22.8Very low27.2Very low163 Ų163130.7 Ų130.787%0.87268%0.675SS**  trans-111.3112.3158.3-98.7-26.5000106.6N567D565-N567 PolarHBondContact O-N 2.87Å
566E24.2Very low27.8Very low172 Ų172127.1 Ų127.180%0.80466%0.657SS**  trans-56.2118.8165.7-70.3179.7151.100108.4
567N25.6Very low28.5Very low149 Ų149127.5 Ų127.580%0.79766%0.657SS**  trans177.673.4155.1-85.6-40.6000109.5D565D565-N567 PolarHBondContact O-N 2.87Å
568D25.9Very low29.3Very low143 Ų143128.1 Ų128.177%0.76565%0.653SS**  trans-99.912.2-171.1-116-15.8000116.2
569D27.7Very low30.2Very low156 Ų156124.2 Ų124.283%0.83463%0.63SS**SBendtrans-89.8-8-178.2-79.5-27000115.5
570N30.5Very low31.1Very low120 Ų120121 Ų12164%0.64262%0.62SS**SBendtrans-96.7-2.4-173.6-70.3-40000115.6
571N28.2Very low32.3Very low50 Ų50122.1 Ų122.127%0.26762%0.617SS.*Hα-helixtrans-85.2-22.6-168-136.2-9000114.2
572I31.9Very low33.6Very low127 Ų127118.4 Ų118.465%0.65159%0.594SS**Hα-helixtrans-78.5-29.2-179.7-65.1174.2000111.7N576I572-N576 PolarHBondContact O-ND2 2.87Å
573D32.8Very low35Very low104 Ų104118.8 Ų118.856%0.55659%0.59SS**Hα-helixtrans-74-42-173.8-80.9-22.5000113.6N575 N576 E577D573-N575 PolarHBondContact O-N 3.47Å; D573-N576 PolarHBondContact O-N 3.28Å; D573-E577 PolarHBondContact O-N 3.46Å
574N35.3Very low36.3Very low64 Ų64116.3 Ų116.334%0.34258%0.579SS.*Hα-helixtrans-67-39.3-175.5-76.3-39.2000113.6N419 E577 K578N419-N574 PolarHBondContact ND2-ND2 2.93Å; N574-E577 WeakPolarHBondContact O-CB 3.41Å; N574-E577 PolarHBondContact O-N 3.49Å; N574-K578 PolarHBondContact O-N 3.44Å
575N37.9Very low37.7Very low75 Ų75112 Ų11240%0.40155%0.554SS.*Hα-helixtrans-71-34.3178.5-79.6-38.1000112.2D573 E577 S579D573-N575 PolarHBondContact O-N 3.47Å; N575-E577 VanDerWaalsContact C-N 3.28Å; N575-S579 PolarHBondContact O-N 2.85Å; N575-S579 PolarHBondContact O-OG 3.5Å
576N36.6Very low39.1Very low73 Ų73105.3 Ų105.339%0.3952%0.518SS..Hα-helixtrans-66.5-32.2170.3-78.1-25.1000111.3I572 D573 S579 K580I572-N576 PolarHBondContact O-ND2 2.87Å; D573-N576 PolarHBondContact O-N 3.28Å; N576-S579 WeakPolarHBondContact CA-OG 3.35Å; N576-S579 PolarHBondContact O-OG 2.9Å; N576-K580 WeakPolarHBondContact O-CB 3.37Å; N576-K580 WeakPolarHBondContact O-CD 3.42Å; N576-K580 WeakPolarHBondContact O-CG 3.31Å; N576-K580 PolarHBondContact O-N 2.93Å
577E42Very low40.5Very low114 Ų114104.8 Ų104.853%0.53351%0.513SS..Hα-helixtrans-67.7-45179.1-147.9176-160.100112.9D573 N574 N575 S579 K580 E581D573-E577 PolarHBondContact O-N 3.46Å; N574-E577 WeakPolarHBondContact O-CB 3.41Å; N574-E577 PolarHBondContact O-N 3.49Å; N575-E577 VanDerWaalsContact C-N 3.28Å; E577-S579 PolarHBondContact O-N 3.34Å; E577-K580 CarbonylContact O-C 3.47Å; E577-K580 WeakPolarHBondContact O-CB 3.3Å; E577-K580 PolarHBondContact O-N 2.87Å; E577-E581 PolarHBondContact O-N 3.18Å
578K42.5Very low41.8Very low146 Ų146101 Ų10164%0.63550%0.498SS*.Hα-helixtrans-65.4-37.4179.9-144172-168.2172.80112.7N574 K582N574-K578 PolarHBondContact O-N 3.44Å; K578-K582 PolarHBondContact O-N 3.4Å; K578-K582 VanDerWaalsContact O-N 3.17Å
579S42.9Very low43Very low29 Ų2995.7 Ų95.720%0.20347%0.469CS..Hα-helixtrans-72.7-39.517450.50000111.9N575 N576 E577 E581 K582 F583N575-S579 PolarHBondContact O-N 2.85Å; N575-S579 PolarHBondContact O-OG 3.5Å; N576-S579 WeakPolarHBondContact CA-OG 3.35Å; N576-S579 PolarHBondContact O-OG 2.9Å; E577-S579 PolarHBondContact O-N 3.34Å; S579-E581 PolarHBondContact O-N 2.96Å; S579-K582 PolarHBondContact O-N 3.25Å; S579-F583 WeakPolarHBondContact O-CB 3.36Å; S579-F583 PolarHBondContact O-N 3.47Å
580K46.2Very low44.2Very low138 Ų13894.1 Ų94.160%0.646%0.455SS*.Hα-helixtrans-59.3-41.1169.8-78.7169.3-175.9174.40112.1N576 E577 F583 K584N576-K580 WeakPolarHBondContact O-CB 3.37Å; N576-K580 WeakPolarHBondContact O-CD 3.42Å; N576-K580 WeakPolarHBondContact O-CG 3.31Å; N576-K580 PolarHBondContact O-N 2.93Å; E577-K580 CarbonylContact O-C 3.47Å; E577-K580 WeakPolarHBondContact O-CB 3.3Å; E577-K580 PolarHBondContact O-N 2.87Å; K580-F583 PolarHBondContact O-N 2.95Å; K580-K584 VanDerWaalsContact O-CB 3.31Å; K580-K584 WeakPolarHBondContact O-CB 3.4Å; K580-K584 PolarHBondContact O-N 3.41Å
581E50.8Low45.2Very low130 Ų13095.1 Ų95.161%0.60745%0.454SS*.Hα-helixtrans-63.7-46175.9-92.2-162.3139.900112.2E577 S579 F583 K584 K585E577-E581 PolarHBondContact O-N 3.18Å; S579-E581 PolarHBondContact O-N 2.96Å; E581-F583 VanDerWaalsContact C-N 3.33Å; E581-F583 PolarHBondContact O-N 3.32Å; E581-K584 CarbonylContact O-C 3.33Å; E581-K584 WeakPolarHBondContact O-CB 3.36Å; E581-K584 PolarHBondContact O-N 3.35Å; E581-K584 VanDerWaalsContact O-N 3.17Å; E581-K585 PolarHBondContact O-N 2.8Å
582K51.4Low46.1Very low56 Ų56101.5 Ų101.524%0.24347%0.474CS..Hα-helixtrans-59.5-44.5173.2-78.5-170.2-180-174.20111.3L434 D435 K578 S579 K584 K585 I586L434-K582 HydrophobicContact CD1-CD 4.36Å; D435-K582 IonicContact OD1-NZ 3.7Å; D435-K582 PolarHBondContact OD1-NZ 3.34Å; K578-K582 PolarHBondContact O-N 3.4Å; K578-K582 VanDerWaalsContact O-N 3.17Å; S579-K582 PolarHBondContact O-N 3.25Å; K582-K584 VanDerWaalsContact C-N 3.32Å; K582-K584 PolarHBondContact O-N 3.13Å; K582-K585 WeakPolarHBondContact O-CB 3.32Å; K582-K585 PolarHBondContact O-N 2.91Å; K582-K585 VanDerWaalsContact O-N 3.16Å; K582-I586 WeakPolarHBondContact O-CG1 3.28Å; K582-I586 PolarHBondContact O-N 3.34Å
583F52.1Low46.7Very low135 Ų135100.2 Ų100.259%0.59246%0.464SS*.Hα-helixtrans-61-39.6174.3-108.6-83.2000112.6S579 K580 E581 K585 I586 K587S579-F583 WeakPolarHBondContact O-CB 3.36Å; S579-F583 PolarHBondContact O-N 3.47Å; K580-F583 PolarHBondContact O-N 2.95Å; E581-F583 VanDerWaalsContact C-N 3.33Å; E581-F583 PolarHBondContact O-N 3.32Å; F583-K585 VanDerWaalsContact C-N 3.34Å; F583-I586 PolarHBondContact O-N 3.08Å; F583-K587 WeakPolarHBondContact O-CB 3.5Å; F583-K587 PolarHBondContact O-N 3.25Å
584K51.9Low47Very low145 Ų145101.4 Ų101.463%0.6346%0.464SS*.Hα-helixtrans-64.4-39.4174.7-168.4178.4-178.5-179.50110.9K580 E581 K582 K587 C588K580-K584 VanDerWaalsContact O-CB 3.31Å; K580-K584 WeakPolarHBondContact O-CB 3.4Å; K580-K584 PolarHBondContact O-N 3.41Å; E581-K584 CarbonylContact O-C 3.33Å; E581-K584 WeakPolarHBondContact O-CB 3.36Å; E581-K584 PolarHBondContact O-N 3.35Å; E581-K584 VanDerWaalsContact O-N 3.17Å; K582-K584 VanDerWaalsContact C-N 3.32Å; K582-K584 PolarHBondContact O-N 3.13Å; K584-K587 PolarHBondContact O-N 3.31Å; K584-C588 WeakPolarHBondContact O-CB 3.39Å; K584-C588 PolarHBondContact O-N 3.06Å; K584-C588 PolarHBondContact O-SG 3.12Å; K584-C588 VanDerWaalsContact O-SG 3.36Å
585K52.3Low47Very low64 Ų64104.5 Ų104.528%0.27848%0.475SS..Hα-helixtrans-62.3-46.4174.6-159.4172.1-168.2167.50111D343 L438 E581 K582 F583 C588 L589D343-K585 IonicContact OD1-NZ 2.75Å; D343-K585 PolarHBondContact OD1-NZ 3.1Å; D343-K585 IonicContact OD2-NZ 2.64Å; D343-K585 PolarHBondContact OD2-NZ 3.43Å; L438-K585 HydrophobicContact CD1-CD 4.48Å; E581-K585 PolarHBondContact O-N 2.8Å; K582-K585 WeakPolarHBondContact O-CB 3.32Å; K582-K585 PolarHBondContact O-N 2.91Å; K582-K585 VanDerWaalsContact O-N 3.16Å; F583-K585 VanDerWaalsContact C-N 3.34Å; K585-C588 PolarHBondContact O-N 3.43Å; K585-L589 WeakPolarHBondContact O-CG 3.37Å; K585-L589 PolarHBondContact O-N 2.91Å
586I52.5Low46.9Very low21 Ų21103.7 Ų103.711%0.10848%0.475CS..Hα-helixtrans-58.5-48.8172.8-66173.4000110.3L434 L438 M441 K582 F583 C588 L589 F590L434-I586 HydrophobicContact CD2-CD1 3.96Å; L438-I586 HydrophobicContact CD1-CG1 4.05Å; M441-I586 HydrophobicContact CE-CB 4.28Å; M441-I586 HydrophobicContact CE-CD1 4.12Å; M441-I586 HydrophobicContact CE-CG1 3.73Å; M441-I586 HydrophobicContact CE-CG2 3.81Å; M441-I586 HydrophobicContact SD-CG2 4.23Å; K582-I586 WeakPolarHBondContact O-CG1 3.28Å; K582-I586 PolarHBondContact O-N 3.34Å; F583-I586 PolarHBondContact O-N 3.08Å; I586-C588 VanDerWaalsContact C-N 3.31Å; I586-C588 PolarHBondContact O-N 3.01Å; I586-L589 WeakPolarHBondContact O-CB 3.26Å; I586-L589 PolarHBondContact O-N 3.37Å; I586-L589 VanDerWaalsContact O-N 3.15Å; I586-F590 HydrophobicContact CG2-CD2 3.76Å; I586-F590 HydrophobicContact CG2-CE2 3.65Å; I586-F590 VanDerWaalsContact O-CD2 3.28Å; I586-F590 WeakPolarHBondContact O-CD2 3.41Å; I586-F590 PolarHBondContact O-N 2.92Å
587K53.4Low47Very low161 Ų161103.5 Ų103.570%0.747%0.473SS*.Hα-helixtrans-61-37.5178.4-164.1173.8-175.9175.20112.4F583 K584 F590 K591F583-K587 WeakPolarHBondContact O-CB 3.5Å; F583-K587 PolarHBondContact O-N 3.25Å; K584-K587 PolarHBondContact O-N 3.31Å; K587-F590 PolarHBondContact O-N 3.41Å; K587-K591 WeakPolarHBondContact O-CB 3.34Å; K587-K591 PolarHBondContact O-N 2.84Å
588C53.2Low47Very low70 Ų70101 Ų10147%0.47346%0.463SS..Hα-helixtrans-67-39.9174.5-78.40000112.6K584 K585 I586 F590 K591 R592K584-C588 WeakPolarHBondContact O-CB 3.39Å; K584-C588 PolarHBondContact O-N 3.06Å; K584-C588 PolarHBondContact O-SG 3.12Å; K584-C588 VanDerWaalsContact O-SG 3.36Å; K585-C588 PolarHBondContact O-N 3.43Å; I586-C588 VanDerWaalsContact C-N 3.31Å; I586-C588 PolarHBondContact O-N 3.01Å; C588-F590 VanDerWaalsContact C-N 3.34Å; C588-K591 PolarHBondContact O-N 3.13Å; C588-R592 PolarHBondContact O-N 3.32Å
589L50.7Low46.7Very low32 Ų3298.8 Ų98.817%0.16846%0.458CS..Hα-helixtrans-61.3-43.2173.8-72.1169.2000111L438 I445 K585 I586 K593L438-L589 HydrophobicContact CD2-CD1 4.31Å; L438-L589 HydrophobicContact CG-CD1 4.42Å; I445-L589 HydrophobicContact CD1-CB 4.12Å; I445-L589 HydrophobicContact CD1-CD2 4.14Å; K585-L589 WeakPolarHBondContact O-CG 3.37Å; K585-L589 PolarHBondContact O-N 2.91Å; I586-L589 WeakPolarHBondContact O-CB 3.26Å; I586-L589 PolarHBondContact O-N 3.37Å; I586-L589 VanDerWaalsContact O-N 3.15Å; L589-K593 PolarHBondContact O-N 2.91Å
590F53.1Low46.5Very low122 Ų122103.9 Ų103.954%0.53548%0.478SS..Hα-helixtrans-65.6-40.5173.6-81.3-72.3000113.1M441 I586 K587 C588 R592 K593 K594M441-F590 HydrophobicContact SD-CD2 4.47Å; M441-F590 HydrophobicContact SD-CE2 3.63Å; M441-F590 HydrophobicContact SD-CZ 3.91Å; I586-F590 HydrophobicContact CG2-CD2 3.76Å; I586-F590 HydrophobicContact CG2-CE2 3.65Å; I586-F590 VanDerWaalsContact O-CD2 3.28Å; I586-F590 WeakPolarHBondContact O-CD2 3.41Å; I586-F590 PolarHBondContact O-N 2.92Å; K587-F590 PolarHBondContact O-N 3.41Å; C588-F590 VanDerWaalsContact C-N 3.34Å; F590-R592 VanDerWaalsContact C-N 3.32Å; F590-R592 PolarHBondContact O-N 3.43Å; F590-K593 PolarHBondContact O-N 3.48Å; F590-K594 PolarHBondContact O-N 2.99Å; F590-K594 VanDerWaalsContact O-N 3.08Å
591K51.2Low46.2Very low141 Ų141102 Ų10261%0.61347%0.472SS*.Hα-helixtrans-64.3-35.7-179.8-164.1176.9-177.4-174.90112.3K587 C588 K594 F595K587-K591 WeakPolarHBondContact O-CB 3.34Å; K587-K591 PolarHBondContact O-N 2.84Å; C588-K591 PolarHBondContact O-N 3.13Å; K591-K594 PolarHBondContact O-N 2.73Å; K591-F595 PolarHBondContact O-N 3.45Å
592R47.5Very low45.4Very low185 Ų185102.5 Ų102.570%0.69847%0.474SS*.Hα-helixtrans-64.1-38.9175.2-85.5-177.4172.6170.1-2.6112.6C588 F590 F595 S596C588-R592 PolarHBondContact O-N 3.32Å; F590-R592 VanDerWaalsContact C-N 3.32Å; F590-R592 PolarHBondContact O-N 3.43Å; R592-F595 PolarHBondContact O-N 3.13Å; R592-S596 PolarHBondContact O-N 2.66Å; R592-S596 VanDerWaalsContact O-N 3.12Å
593K44.5Very low44.8Very low100 Ų100105.8 Ų105.844%0.43549%0.493SS..Hα-helixtrans-71.6-33.7176.4-140.2-175.7-174.5-175.10112.4L589 F590 F595 S596 I597L589-K593 PolarHBondContact O-N 2.91Å; F590-K593 PolarHBondContact O-N 3.48Å; K593-F595 VanDerWaalsContact C-N 3.27Å; K593-F595 PolarHBondContact O-N 2.97Å; K593-S596 WeakPolarHBondContact CA-OG 3.2Å; K593-S596 PolarHBondContact O-N 3.3Å; K593-S596 PolarHBondContact O-OG 3.31Å; K593-S596 VanDerWaalsContact O-OG 3.04Å; K593-I597 HydrophobicContact CD-CD1 4.21Å; K593-I597 HydrophobicContact CG-CD1 3.97Å; K593-I597 HydrophobicContact CG-CG1 4.41Å; K593-I597 WeakPolarHBondContact O-CB 3.09Å; K593-I597 VanDerWaalsContact O-CG1 3.27Å; K593-I597 WeakPolarHBondContact O-CG1 3.3Å; K593-I597 PolarHBondContact O-N 2.93Å
594K40.1Very low44.2Very low129 Ų129105.6 Ų105.656%0.56149%0.494SS*.Hα-helixtrans-61-38.2173.7-159176.7-178.1176.80111.1F590 K591 I598F590-K594 PolarHBondContact O-N 2.99Å; F590-K594 VanDerWaalsContact O-N 3.08Å; K591-K594 PolarHBondContact O-N 2.73Å; K594-I598 HydrophobicContact CD-CD1 4.29Å; K594-I598 HydrophobicContact CG-CD1 3.71Å; K594-I598 HydrophobicContact CG-CG1 4.31Å; K594-I598 WeakPolarHBondContact O-CB 3.48Å; K594-I598 WeakPolarHBondContact O-CD1 3.44Å; K594-I598 WeakPolarHBondContact O-CG1 3.34Å; K594-I598 PolarHBondContact O-N 2.98Å
595F34.3Very low43.5Very low128 Ų128102.4 Ų102.456%0.56148%0.484SS*.Hα-helixtrans-68.3-44.1173-99.8-84.8000112.9K591 R592 K593 I597 I598 D599K591-F595 PolarHBondContact O-N 3.45Å; R592-F595 PolarHBondContact O-N 3.13Å; K593-F595 VanDerWaalsContact C-N 3.27Å; K593-F595 PolarHBondContact O-N 2.97Å; F595-I597 VanDerWaalsContact C-N 3.31Å; F595-I597 PolarHBondContact O-N 3.42Å; F595-I598 PolarHBondContact O-N 3.14Å; F595-D599 PolarHBondContact O-N 3.4Å
596S35.5Very low42.8Very low59 Ų59101.1 Ų101.141%0.41349%0.489SS..Hα-helixtrans-66.9-31.3179.368.10000113.7R592 K593 Q600R592-S596 PolarHBondContact O-N 2.66Å; R592-S596 VanDerWaalsContact O-N 3.12Å; K593-S596 WeakPolarHBondContact CA-OG 3.2Å; K593-S596 PolarHBondContact O-N 3.3Å; K593-S596 PolarHBondContact O-OG 3.31Å; K593-S596 VanDerWaalsContact O-OG 3.04Å; S596-Q600 PolarHBondContact O-N 3.13Å
597I40Very low42.2Very low69 Ų69105.8 Ų105.835%0.35451%0.514SS..Hα-helixtrans-81.2-37.2177.6-63.5167.5000110.7K593 F595 D599 Q600 Q601K593-I597 HydrophobicContact CD-CD1 4.21Å; K593-I597 HydrophobicContact CG-CD1 3.97Å; K593-I597 HydrophobicContact CG-CG1 4.41Å; K593-I597 WeakPolarHBondContact O-CB 3.09Å; K593-I597 VanDerWaalsContact O-CG1 3.27Å; K593-I597 WeakPolarHBondContact O-CG1 3.3Å; K593-I597 PolarHBondContact O-N 2.93Å; F595-I597 VanDerWaalsContact C-N 3.31Å; F595-I597 PolarHBondContact O-N 3.42Å; I597-D599 VanDerWaalsContact C-N 3.33Å; I597-D599 PolarHBondContact O-N 3.27Å; I597-Q600 PolarHBondContact O-N 2.79Å; I597-Q601 HydrophobicContact CG2-CG 4.05Å; I597-Q601 WeakPolarHBondContact O-CB 3.31Å; I597-Q601 PolarHBondContact O-N 2.82Å
598I40.4Very low41.5Very low61 Ų61103.3 Ų103.331%0.31351%0.508SS..Hα-helixtrans-65.3-37.6176.3-75.3175.5000111K594 F595 Q600 H602K594-I598 HydrophobicContact CD-CD1 4.29Å; K594-I598 HydrophobicContact CG-CD1 3.71Å; K594-I598 HydrophobicContact CG-CG1 4.31Å; K594-I598 WeakPolarHBondContact O-CB 3.48Å; K594-I598 WeakPolarHBondContact O-CD1 3.44Å; K594-I598 WeakPolarHBondContact O-CG1 3.34Å; K594-I598 PolarHBondContact O-N 2.98Å; F595-I598 PolarHBondContact O-N 3.14Å; I598-Q600 VanDerWaalsContact C-N 3.3Å; I598-Q600 PolarHBondContact O-N 3.14Å; I598-H602 WeakPolarHBondContact CG2-CD2 3.07Å; I598-H602 WeakPolarHBondContact O-CB 3.44Å; I598-H602 PolarHBondContact O-CD2 2.93Å; I598-H602 VanDerWaalsContact O-CD2 3.3Å; I598-H602 PolarHBondContact O-N 3.12Å
599D36.8Very low40.7Very low99 Ų99104.2 Ų104.253%0.52951%0.507SS..Hα-helixtrans-69.4-28.1175.5-69.7-21.7000112.4F595 I597 I603F595-D599 PolarHBondContact O-N 3.4Å; I597-D599 VanDerWaalsContact C-N 3.33Å; I597-D599 PolarHBondContact O-N 3.27Å; D599-I603 WeakPolarHBondContact O-CD1 3.45Å; D599-I603 WeakPolarHBondContact O-CG1 3.21Å
600Q38.9Very low40Very low136 Ų136108.3 Ų108.364%0.63653%0.529SS*.Hα-helixtrans-82.3-40.6174.7-75.9-177.4-24.700112.6S596 I597 I598 I603 E604S596-Q600 PolarHBondContact O-N 3.13Å; I597-Q600 PolarHBondContact O-N 2.79Å; I598-Q600 VanDerWaalsContact C-N 3.3Å; I598-Q600 PolarHBondContact O-N 3.14Å; Q600-I603 PolarHBondContact O-N 2.65Å; Q600-E604 PolarHBondContact O-N 2.92Å
601Q38.9Very low39.2Very low100 Ų100109.1 Ų109.147%0.46754%0.535SS..Hα-helixtrans-74.5-33.6-179-76.1-174.8-43.800113I597 I603 E604 D605I597-Q601 HydrophobicContact CG2-CG 4.05Å; I597-Q601 WeakPolarHBondContact O-CB 3.31Å; I597-Q601 PolarHBondContact O-N 2.82Å; Q601-I603 PolarHBondContact O-N 3.49Å; Q601-E604 PolarHBondContact O-N 3.04Å; Q601-D605 WeakPolarHBondContact O-CB 3.15Å; Q601-D605 PolarHBondContact O-N 3.46Å
602H35.6Very low38.4Very low139 Ų139105.5 Ų105.564%0.64453%0.527SS*.Hα-helixtrans-67.8-22.7174.9-83.1-60.4000113.6I598I598-H602 WeakPolarHBondContact CG2-CD2 3.07Å; I598-H602 WeakPolarHBondContact O-CB 3.44Å; I598-H602 PolarHBondContact O-CD2 2.93Å; I598-H602 VanDerWaalsContact O-CD2 3.3Å; I598-H602 PolarHBondContact O-N 3.12Å
603I37.2Very low37.9Very low126 Ų126101.5 Ų101.565%0.64652%0.518SS*.Hα-helixtrans-79.8-31.9174.3-63.3175.4000110.9D599 Q600 Q601D599-I603 WeakPolarHBondContact O-CD1 3.45Å; D599-I603 WeakPolarHBondContact O-CG1 3.21Å; Q600-I603 PolarHBondContact O-N 2.65Å; Q601-I603 PolarHBondContact O-N 3.49Å
604E40.5Very low37.5Very low131 Ų131102.8 Ų102.861%0.61253%0.53SS*.Hα-helixtrans-85.9-42.4179.5-71.8-175.5163.600113.5Q600 Q601 G606 N607 L608Q600-E604 PolarHBondContact O-N 2.92Å; Q601-E604 PolarHBondContact O-N 3.04Å; E604-G606 PolarHBondContact O-N 3.49Å; E604-N607 PolarHBondContact O-N 2.9Å; E604-L608 PolarHBondContact O-N 3.25Å
605D38Very low37.3Very low77 Ų77102.4 Ų102.441%0.41253%0.534SS..Hα-helixtrans-70.9-30.6-177.9-71.8-22.7000112.2Q601 N607 L608 I609Q601-D605 WeakPolarHBondContact O-CB 3.15Å; Q601-D605 PolarHBondContact O-N 3.46Å; D605-N607 PolarHBondContact O-N 3.44Å; D605-L608 PolarHBondContact O-N 3.14Å; D605-I609 HydrophobicContact CB-CD1 4.16Å; D605-I609 WeakPolarHBondContact O-CB 3.27Å; D605-I609 WeakPolarHBondContact O-CD1 3.33Å; D605-I609 WeakPolarHBondContact O-CG1 3.32Å; D605-I609 PolarHBondContact O-N 3.34Å
606G37.6Very low37.2Very low38 Ų38101.5 Ų101.539%0.39254%0.535SS..Hα-helixtrans-61-32.1174.700000113.2E604E604-G606 PolarHBondContact O-N 3.49Å
607N39.3Very low37Very low119 Ų119103.6 Ų103.664%0.63655%0.55SS*.Hα-helixtrans-84.8-32.1179-76.4-20.4000112.7E604 D605E604-N607 PolarHBondContact O-N 2.9Å; D605-N607 PolarHBondContact O-N 3.44Å
608L37.9Very low36.6Very low109 Ų109106.9 Ų106.957%0.57157%0.568SS**Hα-helixtrans-82-32.1179.6-96.5146.9000113.8E604 D605 Q611 S612E604-L608 PolarHBondContact O-N 3.25Å; D605-L608 PolarHBondContact O-N 3.14Å; L608-Q611 PolarHBondContact O-N 2.85Å; L608-S612 PolarHBondContact O-N 2.73Å; L608-S612 VanDerWaalsContact O-N 3.08Å; L608-S612 PolarHBondContact O-OG 2.93Å
609I37.2Very low36.2Very low88 Ų88110.8 Ų110.845%0.45159%0.589SS.*Hα-helixtrans-68.2-37.7177.2-67.3167.9000110.7D605 Q611 S612 I613D605-I609 HydrophobicContact CB-CD1 4.16Å; D605-I609 WeakPolarHBondContact O-CB 3.27Å; D605-I609 WeakPolarHBondContact O-CD1 3.33Å; D605-I609 WeakPolarHBondContact O-CG1 3.32Å; D605-I609 PolarHBondContact O-N 3.34Å; I609-Q611 VanDerWaalsContact C-N 3.31Å; I609-Q611 PolarHBondContact O-N 2.92Å; I609-S612 PolarHBondContact O-N 3.2Å; I609-S612 PolarHBondContact O-OG 3.33Å; I609-I613 HydrophobicContact CG2-CD1 3.64Å; I609-I613 HydrophobicContact CG2-CG1 4.29Å; I609-I613 WeakPolarHBondContact O-CG1 3.31Å; I609-I613 PolarHBondContact O-N 3.07Å; I609-I613 VanDerWaalsContact O-N 3.16Å
610N35.8Very low35.8Very low119 Ų119112.6 Ų112.664%0.63660%0.598SS**Hα-helixtrans-67.9-28.1176.6-82-15.2000113.4
611Q36.1Very low35.3Very low139 Ų139113.6 Ų113.665%0.6561%0.608SS**Hα-helixtrans-81.6-33.1175.4-81.5-176.4-23.800113.4L608 I609L608-Q611 PolarHBondContact O-N 2.85Å; I609-Q611 VanDerWaalsContact C-N 3.31Å; I609-Q611 PolarHBondContact O-N 2.92Å
612S35.3Very low34.6Very low64 Ų64115.5 Ų115.545%0.44862%0.621SS.*Hα-helixtrans-79-32.6-177.950.90000113.5L608 I609 N614 N615 N616L608-S612 PolarHBondContact O-N 2.73Å; L608-S612 VanDerWaalsContact O-N 3.08Å; L608-S612 PolarHBondContact O-OG 2.93Å; I609-S612 PolarHBondContact O-N 3.2Å; I609-S612 PolarHBondContact O-OG 3.33Å; S612-N614 VanDerWaalsContact C-N 3.3Å; S612-N614 PolarHBondContact O-N 3.37Å; S612-N615 PolarHBondContact O-N 3.5Å; S612-N616 PolarHBondContact O-N 3.26Å
613I37Very low34.2Very low101 Ų101116.3 Ų116.352%0.51863%0.63SS.*Hα-helixtrans-65.2-35.3176-67.8172.8000111.4I609 N615I609-I613 HydrophobicContact CG2-CD1 3.64Å; I609-I613 HydrophobicContact CG2-CG1 4.29Å; I609-I613 WeakPolarHBondContact O-CG1 3.31Å; I609-I613 PolarHBondContact O-N 3.07Å; I609-I613 VanDerWaalsContact O-N 3.16Å; I613-N615 VanDerWaalsContact C-N 3.3Å; I613-N615 PolarHBondContact O-N 3.22Å
614N35.7Very low33.6Very low127 Ų127118.2 Ų118.268%0.67964%0.641SS**Hα-helixtrans-70.4-23179.3-103.12.4000114S612S612-N614 VanDerWaalsContact C-N 3.3Å; S612-N614 PolarHBondContact O-N 3.37Å
615N34.8Very low32.8Very low121 Ų121118.4 Ų118.465%0.64765%0.652SS**Hα-helixtrans-96.3-28.4-177-73.9-11.7000113.7S612 I613S612-N615 PolarHBondContact O-N 3.5Å; I613-N615 VanDerWaalsContact C-N 3.3Å; I613-N615 PolarHBondContact O-N 3.22Å
616N32.1Very low32.3Very low109 Ų109123 Ų12358%0.58367%0.674SS**Hα-helixtrans-87.6-18.5-174.7-97.53.5000115.7S612 N618S612-N616 PolarHBondContact O-N 3.26Å; N616-N618 PolarHBondContact O-N 3.44Å
617S32.6Very low31.9Very low103 Ų103127.6 Ų127.672%0.7269%0.69SS**THydrogen-bonded Turntrans-65.6-16.1173.2-77.70000113.5
618N31.1Very low31.4Very low139 Ų139128.7 Ų128.774%0.74370%0.696SS**THydrogen-bonded Turntrans-91.6-8-176.7-73.3-11.9000115.1N616N616-N618 PolarHBondContact O-N 3.44Å
619N32Very low30.9Very low142 Ų142130.4 Ų130.476%0.75971%0.706SS**SBendtrans-123.73.2-166.9-108.4-1.7000117.9
620I29.1Very low30.4Very low137 Ų137132.5 Ų132.570%0.70372%0.718SS**  trans-108.317.7-174.6-58.8173.5000113.3
621N26.9Very low30Very low158 Ų158133 Ų13385%0.84572%0.72SS**SBendtrans-92.46.6178.3-94.2-0.4000116.1
622N24.9Very low29.5Very low140 Ų140130.6 Ų130.675%0.74972%0.719SS**SBendtrans-137.1126.1178.5-77-30.8000112.3
623N26.1Very low29Very low156 Ų156134.5 Ų134.583%0.83474%0.735SS**  trans101.583.7159.1-50.6-19.7000117.5
624N26.1Very low28.7Very low165 Ų165136.7 Ų136.788%0.88275%0.748SS**  trans-138.297.3160.2-95-18.4000109.3
625T23.5Very low28.4Very low136 Ų136136.8 Ų136.883%0.83475%0.749SS**  trans-161.2140.3162.1-2.80000113
626I26.7Very low28.1Very low172 Ų172138 Ų13888%0.88276%0.755SS**  trans107.8110.3158.5-56.8155.3000115
627N28.8Very low28Very low135 Ų135140.1 Ų140.172%0.72277%0.766SS**  trans-142.9137.2-164.5-140.29.7000109
628N30.7Very low27.7Very low142 Ų142141.8 Ų141.876%0.75977%0.767SS**  trans45137.9136.9-62.5-12.9000123.9
629N25.7Very low27.8Very low146 Ų146142.1 Ų142.178%0.78177%0.769SS**  trans-137.6141.9171.1-98.4-3.9000111.8
630N27.9Very low27.5Very low131 Ų131141.6 Ų141.670%0.70177%0.766SS**  trans71.6147.8141.1-58.25.4000120.3
631D27.5Very low27.5Very low129 Ų129142.7 Ų142.769%0.6977%0.773SS**  cis-169.9143-29.5-122.3-37.9000108.5
632S25.1Very low27.4Very low89 Ų89138.4 Ų138.462%0.62277%0.766SS**  trans28.8152.4133.4-53.10000121.9
633N25.7Very low27.5Very low146 Ų146139.1 Ų139.178%0.78177%0.77SS**  cis-178.6162.53.8-106.1-16.2000108
634N29.7Very low27.4Very low147 Ų147139.7 Ų139.779%0.78677%0.773SS**  155.7144.6112.8-146.39.6000115.5
635D29.9Very low27.4Very low130 Ų130138.8 Ų138.870%0.69577%0.768SS**  trans-94.1162.6-166.2-62.8-55.8000115.9
636N27.6Very low27.5Very low146 Ų146139.7 Ų139.778%0.78177%0.768SS**  159.6143.8112.8-87.7-43000117.1
637N30.1Very low27.4Very low154 Ų154139.2 Ų139.282%0.82477%0.768SS**  trans115.3120.4136.4-92.4-12000123.9
638N27.3Very low27.2Very low138 Ų138141.9 Ų141.974%0.73878%0.776SS**  trans-62.8157.1176.1-75.6-37.8000118.3
639N32Very low26.9Very low145 Ų145144.6 Ų144.678%0.77578%0.784SS**  179.6121.1117-93.4-20.4000116.2
640N26.7Very low26.8Very low131 Ų131146.3 Ų146.370%0.70179%0.789SS**  trans67.2125132-67.9-12.5000127.5
641N27.6Very low26.7Very low160 Ų160147.7 Ų147.786%0.85680%0.795SS**  trans69.7132.2138.5-69.1-7.9000120.8
642G25.9Very low26.6Very low68 Ų68149.6 Ų149.670%0.70180%0.803SS**  cis169.1135.31.100000111.8
643N26Very low26.5Very low155 Ų155150.8 Ų150.883%0.82981%0.812SS**  trans50.1104.6150.2-66.3-10.4000122.2
644N25.1Very low26.6Very low168 Ų168155.8 Ų155.890%0.89882%0.82SS**  trans-157.460.1135.8-115-0.5000111.2
645D25.2Very low26.3Very low146 Ų146158.8 Ų158.878%0.78183%0.826SS**  trans-134.4128.6165.2-84.8-39.3000106.7
646N26.6Very low26.1Very low156 Ų156157 Ų15783%0.83482%0.823SS**  trans172.793.6151.7-84.3-25.5000108.5
647N24.2Very low26Very low162 Ų162159.8 Ų159.887%0.86683%0.829SS**SBendtrans-171.76.6138.3-100.8-10.8000119.4
648Q24.1Very low25.8Very low191 Ų191163.3 Ų163.389%0.89383%0.83SS**SBendtrans-135.121.7-178.1-70.2-168.92.800117.9
649Q24.5Very low25.6Very low198 Ų198164 Ų16493%0.92583%0.834SS**  trans-135.675.6172.3-65.9-171.922.200112.3
650M24.2Very low25.6Very low182 Ų182163 Ų16390%0.89784%0.835SS**  trans-147.651.7165.5-151.4-165.6-82.200112.5
651I25.3Very low25.5Very low160 Ų160163.9 Ų163.982%0.82184%0.839SS**SBendtrans-140.9137.8158.3-56.5172.6000105.9
652I26Very low25.5Very low169 Ų169162.1 Ų162.187%0.86783%0.829SS**  trans100.663.4-174.2-44.3156.9000113.4
653S23.5Very low25.6Very low115 Ų115163.3 Ų163.380%0.80482%0.824SS**  trans-140.148.2154.454.60000111.4K655S653-K655 PolarHBondContact O-N 2.77Å
654R26.4Very low26Very low250 Ų250161.3 Ų161.394%0.94381%0.813SS**  trans-8890163.3-78.5-172.2-178.1169.31.9109.8S656R654-S656 PolarHBondContact O-N 2.73Å
655K24.5Very low26.3Very low211 Ų211158.2 Ų158.292%0.91780%0.796SS**  trans-57.2105.5166.9-73.8176.9174.7176.50110.3S653S653-K655 PolarHBondContact O-N 2.77Å
656S26.2Very low26.6Very low92 Ų92155.5 Ų155.564%0.64378%0.784SS**  trans-100.3101.7166.1153.80000108.9R654 R658R654-S656 PolarHBondContact O-N 2.73Å; S656-R658 PolarHBondContact O-N 2.94Å
657K24.2Very low27.1Very low205 Ų205154.6 Ų154.689%0.89178%0.775SS**  trans-52118.1167.6-71.6173.6173.7178.40110.1
658R25.7Very low27.5Very low227 Ų227153.7 Ų153.786%0.85777%0.766SS**  trans-132.9132.1160.3-77.7-169.4-172.3175.22.7109.7S656S656-R658 PolarHBondContact O-N 2.94Å
659N23.2Very low27.7Very low152 Ų152150 Ų15081%0.81375%0.748SS**  trans-57.7147-168.8-69.2-21.3000113.8I661N659-I661 PolarHBondContact O-N 3.36Å
660P32.2Very low28.3Very low124 Ų124144 Ų14481%0.80573%0.726SS**  trans-96.993.8-17335.7-27.3000110.9
661I25.2Very low29.2Very low150 Ų150141.8 Ų141.877%0.76971%0.713SS**  trans-147.183.7166.3-48.4174.1000109.2N659N659-I661 PolarHBondContact O-N 3.36Å
662L26.4Very low29.8Very low124 Ų124139.9 Ų139.965%0.64970%0.699SS**  trans175.576.6141.3-122.978.4000110.7I665L662-I665 HydrophobicContact CD2-CD1 3.68Å; L662-I665 HydrophobicContact CD2-CG1 4.33Å
663P29.7Very low30.2Very low92 Ų92136.1 Ų136.160%0.59768%0.681SS**  trans-79.7-21.4179-11.428.5000114.6T666P663-T666 PolarHBondContact O-OG1 3.19Å
664N33.5Very low31Very low114 Ų114134.9 Ų134.961%0.6167%0.665SS**Hα-helixtrans-87.8-12.8-160.6-75.46.9000116.5
665I31.3Very low31.8Very low102 Ų102128.9 Ų128.952%0.52365%0.648SS.*Hα-helixtrans-83.9-31.4-179.3-56.6-178.5000111.1L662 Q669L662-I665 HydrophobicContact CD2-CD1 3.68Å; L662-I665 HydrophobicContact CD2-CG1 4.33Å; I665-Q669 WeakPolarHBondContact O-CB 3.36Å; I665-Q669 PolarHBondContact O-N 3.13Å
666T31.2Very low32.4Very low89 Ų89123 Ų12355%0.54662%0.623SS.*Hα-helixtrans-74.9-40.6-179.235.70000112.9P663 Q669 T670P663-T666 PolarHBondContact O-OG1 3.19Å; T666-Q669 PolarHBondContact O-N 2.67Å; T666-T670 WeakPolarHBondContact O-CB 3.34Å; T666-T670 PolarHBondContact O-N 3.26Å; T666-T670 PolarHBondContact O-OG1 3.16Å
667E38.2Very low33Very low137 Ų137122.9 Ų122.964%0.6461%0.613SS**Hα-helixtrans-66.8-48.1-179.8-82.8-174.8160.900112.4Q669 T670 E671E667-Q669 PolarHBondContact O-N 3.3Å; E667-T670 PolarHBondContact O-N 2.94Å; E667-E671 WeakPolarHBondContact O-CB 3.37Å; E667-E671 PolarHBondContact O-N 3.37Å
668Q33Very low33.9Very low144 Ų144117.8 Ų117.867%0.67360%0.596SS**Hα-helixtrans-59.4-35.8176.3-74.9-172-15.900112.4F672Q668-F672 VanDerWaalsContact O-CB 3.3Å; Q668-F672 WeakPolarHBondContact O-CB 3.31Å; Q668-F672 PolarHBondContact O-N 3.43Å
669Q28Very low35Very low112 Ų112111.9 Ų111.952%0.52358%0.58SS.*Hα-helixtrans-73.4-31.8178.6-159.1163.311.400112.2I665 T666 E667 N673I665-Q669 WeakPolarHBondContact O-CB 3.36Å; I665-Q669 PolarHBondContact O-N 3.13Å; T666-Q669 PolarHBondContact O-N 2.67Å; E667-Q669 PolarHBondContact O-N 3.3Å; Q669-N673 WeakPolarHBondContact O-CB 3.33Å; Q669-N673 PolarHBondContact O-N 3.31Å; Q669-N673 PolarHBondContact O-ND2 3.3Å
670T37Very low35.7Very low74 Ų74106.9 Ų106.945%0.45455%0.554SS.*Hα-helixtrans-75-40.2175.1-420000110.8T666 E667 N673 N674T666-T670 WeakPolarHBondContact O-CB 3.34Å; T666-T670 PolarHBondContact O-N 3.26Å; T666-T670 PolarHBondContact O-OG1 3.16Å; E667-T670 PolarHBondContact O-N 2.94Å; T670-N673 PolarHBondContact O-N 3.39Å; T670-N674 WeakPolarHBondContact O-CB 3.39Å; T670-N674 VanDerWaalsContact O-CG 3.27Å; T670-N674 PolarHBondContact O-N 3.41Å; T670-N674 PolarHBondContact O-ND2 3.34Å
671E42.6Very low36.2Very low134 Ų134105.5 Ų105.563%0.62654%0.539SS*.Hα-helixtrans-67.8-45.3178.8-163174.4-162.100111.5E667 N673 N674 Q675E667-E671 WeakPolarHBondContact O-CB 3.37Å; E667-E671 PolarHBondContact O-N 3.37Å; E671-N673 VanDerWaalsContact C-N 3.33Å; E671-N673 PolarHBondContact O-N 3.45Å; E671-N674 PolarHBondContact O-N 3.42Å; E671-Q675 WeakPolarHBondContact O-CB 3.18Å; E671-Q675 PolarHBondContact O-N 3.26Å
672F36.8Very low37.5Very low121 Ų121103.7 Ų103.753%0.53153%0.527SS..Hα-helixtrans-60.7-42.2173.8-172.3-94.1000111.9Q668 F676Q668-F672 VanDerWaalsContact O-CB 3.3Å; Q668-F672 WeakPolarHBondContact O-CB 3.31Å; Q668-F672 PolarHBondContact O-N 3.43Å; F672-F676 VanDerWaalsContact O-CB 3.28Å; F672-F676 WeakPolarHBondContact O-CB 3.31Å; F672-F676 PolarHBondContact O-N 3.28Å
673N35.8Very low38.3Very low90 Ų90106 Ų10648%0.48153%0.527SS..Hα-helixtrans-63.7-43.8175.6-80.5-20.1000112Q669 T670 E671 F676 I677Q669-N673 WeakPolarHBondContact O-CB 3.33Å; Q669-N673 PolarHBondContact O-N 3.31Å; Q669-N673 PolarHBondContact O-ND2 3.3Å; T670-N673 PolarHBondContact O-N 3.39Å; E671-N673 VanDerWaalsContact C-N 3.33Å; E671-N673 PolarHBondContact O-N 3.45Å; N673-F676 PolarHBondContact O-N 2.98Å; N673-I677 WeakPolarHBondContact O-CB 3.32Å; N673-I677 VanDerWaalsContact O-CG1 3.28Å; N673-I677 WeakPolarHBondContact O-CG1 3.47Å; N673-I677 PolarHBondContact O-N 3.44Å
674N40.7Very low38.8Very low89 Ų89103.1 Ų103.148%0.47651%0.507SS..Hα-helixtrans-67-40.8179.3-77.2-16.8000111.9T670 E671 F676 I677 N678T670-N674 WeakPolarHBondContact O-CB 3.39Å; T670-N674 VanDerWaalsContact O-CG 3.27Å; T670-N674 PolarHBondContact O-N 3.41Å; T670-N674 PolarHBondContact O-ND2 3.34Å; E671-N674 PolarHBondContact O-N 3.42Å; N674-F676 VanDerWaalsContact C-N 3.34Å; N674-I677 PolarHBondContact O-N 3.21Å; N674-N678 WeakPolarHBondContact O-CB 3.21Å; N674-N678 PolarHBondContact O-N 3.26Å; N674-N678 PolarHBondContact O-ND2 2.82Å
675Q43.3Very low39.5Very low124 Ų124105.8 Ų105.858%0.57951%0.508SS*.Hα-helixtrans-65.6-40.4177.3-153.9177.825.800110.9E671 N678 I679E671-Q675 WeakPolarHBondContact O-CB 3.18Å; E671-Q675 PolarHBondContact O-N 3.26Å; Q675-N678 PolarHBondContact O-N 3.35Å; Q675-I679 VanDerWaalsContact O-CG1 3.3Å; Q675-I679 WeakPolarHBondContact O-CG1 3.24Å; Q675-I679 PolarHBondContact O-N 2.93Å
676F36.6Very low40.3Very low88 Ų88106.1 Ų106.139%0.38651%0.508SS..Hα-helixtrans-64.9-42.7175.3-163.4-98.4000112.3L437 F672 N673 N674 I679 L680L437-F676 HydrophobicContact CD1-CE1 4.17Å; L437-F676 HydrophobicContact CD1-CZ 4.12Å; L437-F676 HydrophobicContact CD2-CZ 3.84Å; F672-F676 VanDerWaalsContact O-CB 3.28Å; F672-F676 WeakPolarHBondContact O-CB 3.31Å; F672-F676 PolarHBondContact O-N 3.28Å; N673-F676 PolarHBondContact O-N 2.98Å; N674-F676 VanDerWaalsContact C-N 3.34Å; F676-I679 PolarHBondContact O-N 3.42Å; F676-L680 HydrophobicContact CD1-CD1 3.72Å; F676-L680 HydrophobicContact CD1-CG 4.41Å; F676-L680 HydrophobicContact CE1-CD1 3.63Å; F676-L680 HydrophobicContact CE1-CG 4.33Å; F676-L680 WeakPolarHBondContact O-CG 3.35Å; F676-L680 PolarHBondContact O-N 3.24Å; F676-L680 VanDerWaalsContact O-N 3.09Å
677I38.2Very low40.8Very low88 Ų88104.8 Ų104.845%0.45150%0.497SS..Hα-helixtrans-62.8-42175.1-71.8172.3000111.2N673 N674 L680 L681N673-I677 WeakPolarHBondContact O-CB 3.32Å; N673-I677 VanDerWaalsContact O-CG1 3.28Å; N673-I677 WeakPolarHBondContact O-CG1 3.47Å; N673-I677 PolarHBondContact O-N 3.44Å; N674-I677 PolarHBondContact O-N 3.21Å; I677-L680 PolarHBondContact O-N 3.3Å; I677-L681 HydrophobicContact CG2-CD1 3.97Å; I677-L681 HydrophobicContact CG2-CG 4.49Å; I677-L681 WeakPolarHBondContact O-CG 3.43Å; I677-L681 PolarHBondContact O-N 2.92Å
678N43.7Very low41Very low99 Ų99103.3 Ų103.353%0.52949%0.491SS..Hα-helixtrans-65.6-42179.1-78.2-20.5000112.3N674 Q675 L680 L681 E682N674-N678 WeakPolarHBondContact O-CB 3.21Å; N674-N678 PolarHBondContact O-N 3.26Å; N674-N678 PolarHBondContact O-ND2 2.82Å; Q675-N678 PolarHBondContact O-N 3.35Å; N678-L680 VanDerWaalsContact C-N 3.29Å; N678-L680 PolarHBondContact O-N 3.08Å; N678-L681 PolarHBondContact O-N 3.48Å; N678-E682 PolarHBondContact O-N 3.22Å
679I48.5Very low41.9Very low102 Ų102101.9 Ų101.952%0.52349%0.487SS..Hα-helixtrans-61.7-39.3175-69164.8000110.8Q675 F676 R683Q675-I679 VanDerWaalsContact O-CG1 3.3Å; Q675-I679 WeakPolarHBondContact O-CG1 3.24Å; Q675-I679 PolarHBondContact O-N 2.93Å; F676-I679 PolarHBondContact O-N 3.42Å; I679-R683 WeakPolarHBondContact O-CB 3.34Å; I679-R683 PolarHBondContact O-N 3Å; I679-R683 VanDerWaalsContact O-N 3.11Å
680L36.7Very low42.7Very low48 Ų48102.8 Ų102.825%0.25149%0.49SS..Hα-helixtrans-65.8-41.4175.5-72.9170.7000112.6I433 L437 F676 I677 N678 N684I433-L680 HydrophobicContact CG2-CD2 3.73Å; L437-L680 HydrophobicContact CD1-CD1 4.43Å; L437-L680 HydrophobicContact CD1-CD2 3.93Å; F676-L680 HydrophobicContact CD1-CD1 3.72Å; F676-L680 HydrophobicContact CD1-CG 4.41Å; F676-L680 HydrophobicContact CE1-CD1 3.63Å; F676-L680 HydrophobicContact CE1-CG 4.33Å; F676-L680 WeakPolarHBondContact O-CG 3.35Å; F676-L680 PolarHBondContact O-N 3.24Å; F676-L680 VanDerWaalsContact O-N 3.09Å; I677-L680 PolarHBondContact O-N 3.3Å; N678-L680 VanDerWaalsContact C-N 3.29Å; N678-L680 PolarHBondContact O-N 3.08Å; L680-N684 WeakPolarHBondContact O-CB 3.42Å; L680-N684 VanDerWaalsContact O-CG 3.25Å; L680-N684 PolarHBondContact O-N 3.46Å; L680-N684 PolarHBondContact O-ND2 3.45Å
681L43.6Very low42.9Very low95 Ų95100.4 Ų100.450%0.49747%0.474SS..Hα-helixtrans-66.5-43.1178.2-78.8169.7000112.5I677 N678 N684 R685I677-L681 HydrophobicContact CG2-CD1 3.97Å; I677-L681 HydrophobicContact CG2-CG 4.49Å; I677-L681 WeakPolarHBondContact O-CG 3.43Å; I677-L681 PolarHBondContact O-N 2.92Å; N678-L681 PolarHBondContact O-N 3.48Å; L681-N684 PolarHBondContact O-N 3.46Å; L681-R685 PolarHBondContact O-N 2.96Å
682E53.5Low43.1Very low112 Ų112100.8 Ų100.852%0.52347%0.474SS..Hα-helixtrans-58.9-49.1175.1-95.1-72.3130.700111.2N678 N684 R685 E686N678-E682 PolarHBondContact O-N 3.22Å; E682-N684 VanDerWaalsContact C-N 3.29Å; E682-N684 PolarHBondContact O-N 2.96Å; E682-R685 WeakPolarHBondContact O-CB 3.34Å; E682-R685 PolarHBondContact O-N 3.31Å; E682-E686 PolarHBondContact O-N 3.19Å
683R43.4Very low43.6Very low171 Ų171103.3 Ų103.365%0.64549%0.485SS*.Hα-helixtrans-66.6-32.6-178.4-156.3141.9127.4166-2.7112.5I679 L687I679-R683 WeakPolarHBondContact O-CB 3.34Å; I679-R683 PolarHBondContact O-N 3Å; I679-R683 VanDerWaalsContact O-N 3.11Å; R683-L687 PolarHBondContact O-N 3.34Å; R683-L687 VanDerWaalsContact O-N 3.14Å
684N39.7Very low43.8Very low32 Ų32103.6 Ų103.617%0.17148%0.483CS..Hα-helixtrans-65-40.3171-80.4-16.6000113.1L429 I433 L680 L681 E682 M688L429-N684 WeakPolarHBondContact CD2-OD1 3.35Å; I433-N684 WeakPolarHBondContact CD1-OD1 3.49Å; L680-N684 WeakPolarHBondContact O-CB 3.42Å; L680-N684 VanDerWaalsContact O-CG 3.25Å; L680-N684 PolarHBondContact O-N 3.46Å; L680-N684 PolarHBondContact O-ND2 3.45Å; L681-N684 PolarHBondContact O-N 3.46Å; E682-N684 VanDerWaalsContact C-N 3.29Å; E682-N684 PolarHBondContact O-N 2.96Å; N684-M688 WeakPolarHBondContact O-CB 3.47Å; N684-M688 WeakPolarHBondContact O-CG 3.25Å; N684-M688 PolarHBondContact O-N 2.93Å
685R47.9Very low43.7Very low171 Ų171100.5 Ų100.565%0.64547%0.468SS*.Hα-helixtrans-64.6-44.1176-77.2178.7175.1177.2-0.6111.7L681 E682 M688 L689L681-R685 PolarHBondContact O-N 2.96Å; E682-R685 WeakPolarHBondContact O-CB 3.34Å; E682-R685 PolarHBondContact O-N 3.31Å; R685-M688 PolarHBondContact O-N 3.4Å; R685-L689 WeakPolarHBondContact O-CG 3.28Å; R685-L689 PolarHBondContact O-N 3.04Å
686E48Very low43.5Very low109 Ų109101.3 Ų101.351%0.50947%0.47SS..Hα-helixtrans-61.4-44.6177.4-76.6-158.6145.300112.8E682 L689 K690E682-E686 PolarHBondContact O-N 3.19Å; E686-L689 PolarHBondContact O-N 3.43Å; E686-K690 PolarHBondContact O-N 2.93Å
687L41.8Very low43.5Very low61 Ų61100.6 Ų100.632%0.31948%0.476SS..Hα-helixtrans-61.8-44.8176.7-79.5167.7000111.3R683 L689 K690 L691R683-L687 PolarHBondContact O-N 3.34Å; R683-L687 VanDerWaalsContact O-N 3.14Å; L687-L689 VanDerWaalsContact C-N 3.31Å; L687-L689 PolarHBondContact O-N 3.22Å; L687-K690 PolarHBondContact O-N 3.11Å; L687-L691 WeakPolarHBondContact O-CD1 3.22Å; L687-L691 VanDerWaalsContact O-CG 3.27Å; L687-L691 WeakPolarHBondContact O-CG 3.37Å; L687-L691 PolarHBondContact O-N 3.39Å
688M42.6Very low43.2Very low105 Ų105100.2 Ų100.252%0.51747%0.471SS..Hα-helixtrans-59.5-39.5175-80.5-75.6-77.500112.6L425 N684 R685 K692L425-M688 HydrophobicContact CD2-SD 4.29Å; N684-M688 WeakPolarHBondContact O-CB 3.47Å; N684-M688 WeakPolarHBondContact O-CG 3.25Å; N684-M688 PolarHBondContact O-N 2.93Å; R685-M688 PolarHBondContact O-N 3.4Å; M688-K692 WeakPolarHBondContact O-CB 3.29Å; M688-K692 PolarHBondContact O-N 3.02Å
689L51.1Low42.5Very low114 Ų114101.8 Ų101.860%0.59748%0.479SS*.Hα-helixtrans-67.4-42.1176.5-80.2162.4000112.5R685 E686 L687 K692 K693R685-L689 WeakPolarHBondContact O-CG 3.28Å; R685-L689 PolarHBondContact O-N 3.04Å; E686-L689 PolarHBondContact O-N 3.43Å; L687-L689 VanDerWaalsContact C-N 3.31Å; L687-L689 PolarHBondContact O-N 3.22Å; L689-K692 PolarHBondContact O-N 2.96Å; L689-K693 PolarHBondContact O-N 3.44Å
690K45.9Very low41.8Very low132 Ų132104.9 Ų104.957%0.57449%0.489SS*.Hα-helixtrans-60.8-44175-78.7177.9179169.10111.5E686 L687 K692 K693 Q694E686-K690 PolarHBondContact O-N 2.93Å; L687-K690 PolarHBondContact O-N 3.11Å; K690-K692 PolarHBondContact O-N 2.82Å; K690-K693 PolarHBondContact O-N 2.71Å; K690-Q694 PolarHBondContact O-N 3.36Å
691L41.5Very low41.4Very low24 Ų24110.3 Ų110.313%0.12651%0.513CS..Hα-helixtrans-62.6-42.1175.5-67.1162.4000111.8L480 L687 K693 Q694 S695L480-L691 HydrophobicContact CB-CD2 4.45Å; L480-L691 HydrophobicContact CD2-CD1 3.23Å; L480-L691 HydrophobicContact CD2-CD2 4.21Å; L480-L691 HydrophobicContact CD2-CG 4.31Å; L480-L691 HydrophobicContact CG-CD1 3.99Å; L480-L691 HydrophobicContact CG-CD2 4.5Å; L687-L691 WeakPolarHBondContact O-CD1 3.22Å; L687-L691 VanDerWaalsContact O-CG 3.27Å; L687-L691 WeakPolarHBondContact O-CG 3.37Å; L687-L691 PolarHBondContact O-N 3.39Å; L691-K693 VanDerWaalsContact C-N 3.33Å; L691-K693 PolarHBondContact O-N 3.43Å; L691-Q694 PolarHBondContact O-N 2.95Å; L691-S695 WeakPolarHBondContact O-CB 3.24Å; L691-S695 PolarHBondContact O-N 2.83Å
692K45.7Very low40.6Very low142 Ų142111.3 Ų111.362%0.61752%0.518SS*.Hα-helixtrans-63.3-39.1178-154.7174.4-172.9178.60111.5M688 L689 K690 S695 K696M688-K692 WeakPolarHBondContact O-CB 3.29Å; M688-K692 PolarHBondContact O-N 3.02Å; L689-K692 PolarHBondContact O-N 2.96Å; K690-K692 PolarHBondContact O-N 2.82Å; K692-S695 PolarHBondContact O-OG 2.73Å; K692-K696 PolarHBondContact O-N 2.64Å
693K47.7Very low39.3Very low174 Ų174112.6 Ų112.676%0.75753%0.528SS*.Hα-helixtrans-65.4-47.4173.4-83.9-175.2176.6-179.80112.4L689 K690 L691 S695 K696 S697L689-K693 PolarHBondContact O-N 3.44Å; K690-K693 PolarHBondContact O-N 2.71Å; L691-K693 VanDerWaalsContact C-N 3.33Å; L691-K693 PolarHBondContact O-N 3.43Å; K693-S695 VanDerWaalsContact C-N 3.31Å; K693-S695 PolarHBondContact O-N 2.89Å; K693-K696 PolarHBondContact O-N 2.94Å; K693-S697 PolarHBondContact O-N 3.45Å
694Q40.4Very low38.4Very low95 Ų95111.2 Ų111.244%0.44453%0.532SS..Hα-helixtrans-64.6-33.7177.6-78-176.9-37.700112.8K690 L691 S697 K698K690-Q694 PolarHBondContact O-N 3.36Å; L691-Q694 PolarHBondContact O-N 2.95Å; Q694-S697 PolarHBondContact O-N 3.42Å; Q694-S697 PolarHBondContact O-OG 3.19Å; Q694-K698 PolarHBondContact O-N 2.57Å; Q694-K698 VanDerWaalsContact O-N 3.09Å
695S39Very low37.6Very low25 Ų25115.7 Ų115.718%0.17556%0.563CS.*Hα-helixtrans-63.8-42.7174.576.10000112.2L691 K692 K693 S697 K698 L699L691-S695 WeakPolarHBondContact O-CB 3.24Å; L691-S695 PolarHBondContact O-N 2.83Å; K692-S695 PolarHBondContact O-OG 2.73Å; K693-S695 VanDerWaalsContact C-N 3.31Å; K693-S695 PolarHBondContact O-N 2.89Å; S695-S697 VanDerWaalsContact C-N 3.34Å; S695-S697 PolarHBondContact O-N 3.41Å; S695-K698 PolarHBondContact O-N 3.11Å; S695-L699 VanDerWaalsContact O-CB 3.3Å; S695-L699 WeakPolarHBondContact O-CB 3.35Å; S695-L699 PolarHBondContact O-N 3.1Å
696K37.9Very low36.6Very low140 Ų140113.4 Ų113.461%0.60957%0.568SS**Hα-helixtrans-62.9-41.9177-79.4-174.5174.8-175.50111.1K692 K693 F700K692-K696 PolarHBondContact O-N 2.64Å; K693-K696 PolarHBondContact O-N 2.94Å; K696-F700 VanDerWaalsContact O-CD2 3.29Å; K696-F700 WeakPolarHBondContact O-CD2 3.11Å; K696-F700 PolarHBondContact O-N 2.91Å
697S37.5Very low35.4Very low73 Ų73112.9 Ų112.951%0.5158%0.583SS.*Hα-helixtrans-66.3-41.7179.859.70000112.7K693 Q694 S695 F700K693-S697 PolarHBondContact O-N 3.45Å; Q694-S697 PolarHBondContact O-N 3.42Å; Q694-S697 PolarHBondContact O-OG 3.19Å; S695-S697 VanDerWaalsContact C-N 3.34Å; S695-S697 PolarHBondContact O-N 3.41Å; S697-F700 PolarHBondContact O-N 3.37Å
698K31.8Very low34.6Very low80 Ų80114.6 Ų114.635%0.34860%0.599SS.*Hα-helixtrans-72.9-33.2177.4-78.8-172178.9-177.80113.2E478 F481 Q694 S695 F700 E701E478-K698 IonicContact OE1-NZ 3.67Å; E478-K698 PolarHBondContact OE1-NZ 2.87Å; F481-K698 HydrophobicContact CD1-CD 4.4Å; F481-K698 HydrophobicContact CE1-CD 3.69Å; F481-K698 HydrophobicContact CZ-CB 4.14Å; F481-K698 HydrophobicContact CZ-CD 3.93Å; Q694-K698 PolarHBondContact O-N 2.57Å; Q694-K698 VanDerWaalsContact O-N 3.09Å; S695-K698 PolarHBondContact O-N 3.11Å; K698-F700 PolarHBondContact O-N 3.46Å; K698-E701 PolarHBondContact O-N 3.17Å; K698-E701 VanDerWaalsContact O-N 3.12Å
699L28.5Very low33.7Very low133 Ų133115.4 Ų115.470%0.69662%0.615SS**Hα-helixtrans-66.5-27.3176.3-14987.9000112.2S695S695-L699 VanDerWaalsContact O-CB 3.3Å; S695-L699 WeakPolarHBondContact O-CB 3.35Å; S695-L699 PolarHBondContact O-N 3.1Å
700F32.8Very low32.6Very low167 Ų167114.6 Ų114.673%0.73262%0.619SS**THydrogen-bonded Turntrans-78.2-15.6173.3-91.5-74.6000113.7K696 S697 K698K696-F700 VanDerWaalsContact O-CD2 3.29Å; K696-F700 WeakPolarHBondContact O-CD2 3.11Å; K696-F700 PolarHBondContact O-N 2.91Å; S697-F700 PolarHBondContact O-N 3.37Å; K698-F700 PolarHBondContact O-N 3.46Å
701E29.9Very low31.5Very low162 Ų162114 Ų11476%0.75763%0.632SS**THydrogen-bonded Turntrans-87.4-11.1174.4-86.6-176.5155.600113.2K698 D703K698-E701 PolarHBondContact O-N 3.17Å; K698-E701 VanDerWaalsContact O-N 3.12Å; E701-D703 PolarHBondContact O-N 2.97Å
702I25.6Very low30.8Very low116 Ų116118.4 Ų118.460%0.59567%0.665SS**  trans-84.656.8171.1-47.6171.3000108.2L704I702-L704 PolarHBondContact O-N 2.75Å; I702-L704 VanDerWaalsContact O-N 3.13Å
703D25.8Very low29.8Very low139 Ų139116.5 Ų116.574%0.74368%0.675SS**  trans-73100.2160.1-87-28.7000106.4E701E701-D703 PolarHBondContact O-N 2.97Å
704L24.9Very low28.7Very low141 Ų141112 Ų11274%0.73868%0.679SS**  trans-42.8129.9165.5-79.4144.5000108.2I702 V706I702-L704 PolarHBondContact O-N 2.75Å; I702-L704 VanDerWaalsContact O-N 3.13Å; L704-V706 PolarHBondContact O-N 2.71Å
705P24Very low28Very low126 Ų126112.3 Ų112.382%0.81870%0.697SS**  trans-58.9103.4-174.823.2-31.8000108.8A707P705-A707 PolarHBondContact O-N 3.4Å; P705-A707 VanDerWaalsContact O-N 3.1Å
706V25.3Very low27.4Very low124 Ų124115.9 Ų115.975%0.75273%0.729SS**  trans-65.6112171.9178.10000104.6L704 S708L704-V706 PolarHBondContact O-N 2.71Å; V706-S708 PolarHBondContact O-N 3.44Å
707A24.2Very low26.9Very low98 Ų98115.9 Ų115.981%0.8174%0.74SS**  trans-58.589.7172.400000108.3P705 S709P705-A707 PolarHBondContact O-N 3.4Å; P705-A707 VanDerWaalsContact O-N 3.1Å; A707-S709 PolarHBondContact O-N 3.08Å
708S25.4Very low26.2Very low96 Ų96119 Ų11967%0.67176%0.756SS**  trans-74.299.9173.653.20000107.3V706 S710V706-S708 PolarHBondContact O-N 3.44Å; S708-S710 VanDerWaalsContact C-N 3.28Å; S708-S710 PolarHBondContact O-N 3.04Å
709S23.9Very low25.9Very low122 Ų122118.8 Ų118.885%0.85378%0.777SS**  trans-57.990.5160.153.80000109.1A707A707-S709 PolarHBondContact O-N 3.08Å
710S26.3Very low25.6Very low97 Ų97116.2 Ų116.268%0.67878%0.783SS**  trans-111.295.9166.6580000108.5S708 S712S708-S710 VanDerWaalsContact C-N 3.28Å; S708-S710 PolarHBondContact O-N 3.04Å; S710-S712 PolarHBondContact O-N 3.36Å
711S23.6Very low25.3Very low120 Ų120114.6 Ų114.684%0.83979%0.786SS**  trans-62.8115.3156.155.80000109.4
712S26.6Very low25Very low116 Ų116113.9 Ų113.981%0.81179%0.793SS**  trans-164.1114.6147.452.80000110.1S710S710-S712 PolarHBondContact O-N 3.36Å
713A25.2Very low25.1Very low102 Ų102116.1 Ų116.184%0.84381%0.805SS**  trans-29.8142.6168.500000117.8
714G24Very low25.1Very low81 Ų81115.7 Ų115.784%0.83581%0.807SS**  86.492.3123.700000117.7
715A26.7Very low25.3Very low100 Ų100113.8 Ų113.883%0.82681%0.805SS**  trans-158.9100.114100000109.2
716A25.3Very low25.4Very low101 Ų101112.6 Ų112.684%0.83580%0.8SS**  trans-72.8119166.600000108.7
717V27.9Very low25.7Very low139 Ų139111 Ų11184%0.84280%0.795SS**  trans-135.1112.2157.1-179.70000107.9
718T23.6Very low25.9Very low138 Ų138111 Ų11185%0.84779%0.788SS**  trans-67.4130.8177.645.10000111.7
719G25.4Very low26Very low76 Ų76113.6 Ų113.678%0.78479%0.792SS**  trans-158.890.816800000109.2
720G21.9Very low26.2Very low80 Ų80114 Ų11483%0.82578%0.783SS**  trans-69.7132.3-173.400000113
721T25.2Very low26.5Very low132 Ų132112.9 Ų112.981%0.8178%0.776SS**  trans-142.9124.314637.50000107.9I723T721-I723 PolarHBondContact O-N 3.2Å
722T23.8Very low26.8Very low147 Ų147115 Ų11590%0.90277%0.77SS**  trans-58.7111.1-175.336.70000112.4
723I27.4Very low26.8Very low164 Ų164115.4 Ų115.484%0.84176%0.763SS**  trans-105.9123.5166.3-62.6178000108.5T721T721-I723 PolarHBondContact O-N 3.2Å
724V27.1Very low27.2Very low130 Ų130113.6 Ų113.679%0.78874%0.744SS**  trans-50.1133.4-177.3174.60000111.9S726V724-S726 PolarHBondContact O-N 3.37Å
725S27.9Very low27.5Very low100 Ų100116.1 Ų116.170%0.69974%0.738SS**  trans-50.2107.2-175.329.70000114.8S727S725-S727 PolarHBondContact O-N 2.98Å
726S27.4Very low27.5Very low101 Ų101117.6 Ų117.671%0.70673%0.731SS**THydrogen-bonded Turntrans-72.233.1166.343.50000113.7V724V724-S726 PolarHBondContact O-N 3.37Å
727S30.1Very low27.7Very low92 Ų92119.2 Ų119.264%0.64372%0.721SS**THydrogen-bonded Turntrans-85.1-13-179-1760000113.8S725S725-S727 PolarHBondContact O-N 2.98Å
728S30.1Very low27.8Very low97 Ų97120.2 Ų120.268%0.67872%0.72SS**THydrogen-bonded Turntrans-87.1-12.2179.567.10000114
729M27.2Very low28Very low151 Ų151118.5 Ų118.574%0.74471%0.705SS**THydrogen-bonded Turntrans-89.2-23.6-179.7-146-179.7-172.800112.7
730L27.2Very low28.1Very low129 Ų129122.1 Ų122.168%0.67570%0.7SS**THydrogen-bonded Turntrans-82.6-25.1-179.9-74.4170.7000113.7L733L730-L733 PolarHBondContact O-N 3.34Å
731S32.7Very low28.5Very low75 Ų75125.2 Ų125.252%0.52470%0.697SS.*G310 helixtrans-75.1-24.1176.980.80000113.3L733 S734S731-L733 PolarHBondContact O-N 2.78Å; S731-S734 PolarHBondContact O-OG 3.38Å; S731-S734 VanDerWaalsContact O-OG 3.05Å
732K30.5Very low28.6Very low165 Ų165123.8 Ų123.872%0.71768%0.684SS**G310 helixtrans-75.7-9.7174.7-79.7-174.1176.3-176.70114
733L26.9Very low28.8Very low124 Ų124122.3 Ų122.365%0.64967%0.67SS**G310 helixtrans-92.7-15.9177.7-79.5164.3000113.4L730 S731L730-L733 PolarHBondContact O-N 3.34Å; S731-L733 PolarHBondContact O-N 2.78Å
734S32.5Very low28.9Very low64 Ų64118.3 Ų118.345%0.44866%0.656SS.*G310 helixtrans-78-25.217755.60000113.7S731 I736S731-S734 PolarHBondContact O-OG 3.38Å; S731-S734 VanDerWaalsContact O-OG 3.05Å; S734-I736 PolarHBondContact O-N 2.97Å
735D29.7Very low28.8Very low133 Ų133116 Ų11671%0.71165%0.646SS**G310 helixtrans-80.7-0.1-172.8-67.2-9.7000113.9
736I28.1Very low28.9Very low131 Ų131115.5 Ų115.567%0.67264%0.635SS**G310 helixtrans-10018.7178-54176.1000111.4S734 I738S734-I736 PolarHBondContact O-N 2.97Å; I736-I738 VanDerWaalsContact C-N 3.26Å; I736-I738 PolarHBondContact O-N 3.28Å
737Q28.9Very low29.1Very low135 Ų135114.9 Ų114.963%0.63162%0.623SS**G310 helixtrans-79.3-0.8179.2-148.2158-49.200114.5N739Q737-N739 VanDerWaalsContact C-N 3.3Å; Q737-N739 PolarHBondContact O-N 3.13Å
738I29.7Very low29Very low160 Ų160116.1 Ų116.182%0.82162%0.622SS**G310 helixtrans-77.1-11.7179.3-67.9177.6000113.1I736 K740I736-I738 VanDerWaalsContact C-N 3.26Å; I736-I738 PolarHBondContact O-N 3.28Å; I738-K740 PolarHBondContact O-N 3.13Å
739N27.6Very low29Very low102 Ų102116.9 Ų116.955%0.54562%0.619SS.*G310 helixtrans-9619.6-175.4-124.4-4.9000116.3Q737 N741 I742Q737-N739 VanDerWaalsContact C-N 3.3Å; Q737-N739 PolarHBondContact O-N 3.13Å; N739-N741 VanDerWaalsContact C-N 3.3Å; N739-N741 PolarHBondContact O-N 3.32Å; N739-I742 PolarHBondContact O-N 3.1Å; N739-I742 VanDerWaalsContact OD1-CD1 3.23Å; N739-I742 WeakPolarHBondContact OD1-CD1 3.46Å
740K28.8Very low29.3Very low153 Ų153113 Ų11367%0.66560%0.604SS**G310 helixtrans-68.4-21.9-178.4-116.6177-179176.80114.4I738I738-K740 PolarHBondContact O-N 3.13Å
741N28.7Very low29.5Very low144 Ų144113.5 Ų113.577%0.7760%0.601SS**G310 helixtrans-84.2-18.2-179-70.9-6.2000113.9N739 S744N739-N741 VanDerWaalsContact C-N 3.3Å; N739-N741 PolarHBondContact O-N 3.32Å; N741-S744 PolarHBondContact O-OG 3.11Å
742I28.2Very low29.4Very low103 Ų103114.5 Ų114.553%0.52860%0.6SS.*THydrogen-bonded Turntrans-82.7-23174.7-61.5-173.2000110.8N739 S744 S745N739-I742 PolarHBondContact O-N 3.1Å; N739-I742 VanDerWaalsContact OD1-CD1 3.23Å; N739-I742 WeakPolarHBondContact OD1-CD1 3.46Å; I742-S744 PolarHBondContact O-N 3.42Å; I742-S745 PolarHBondContact O-OG 3.41Å
743L28.1Very low29.5Very low116 Ų116111 Ų11161%0.60759%0.589SS**Hα-helixtrans-76.5-20-178.4-13885.7000113.9N746 I747L743-N746 PolarHBondContact O-N 2.95Å; L743-I747 WeakPolarHBondContact O-CG1 3.42Å; L743-I747 PolarHBondContact O-N 2.86Å
744S28.7Very low29.8Very low80 Ų80112.5 Ų112.556%0.55959%0.59SS**Hα-helixtrans-73.2-27.2-17954.30000113.6N741 I742N741-S744 PolarHBondContact O-OG 3.11Å; I742-S744 PolarHBondContact O-N 3.42Å
745S26.7Very low29.8Very low81 Ų81115.7 Ų115.757%0.56660%0.598SS**Hα-helixtrans-75-30.4174.860.70000112.4I742 I747I742-S745 PolarHBondContact O-OG 3.41Å; S745-I747 VanDerWaalsContact C-N 3.35Å; S745-I747 PolarHBondContact O-N 3.41Å
746N29.9Very low29.9Very low90 Ų90115.5 Ų115.548%0.48159%0.593SS.*Hα-helixtrans-79.8-9.9179.2-83-18.6000114.6L743 N748 N749L743-N746 PolarHBondContact O-N 2.95Å; N746-N748 VanDerWaalsContact C-N 3.25Å; N746-N748 PolarHBondContact O-N 2.85Å; N746-N749 PolarHBondContact O-N 3.3Å
747I31.1Very low30.3Very low88 Ų88115.6 Ų115.645%0.45159%0.592SS.*Hα-helixtrans-69-23.7178.2-73.5168.4000112.2L743 S745 T750L743-I747 WeakPolarHBondContact O-CG1 3.42Å; L743-I747 PolarHBondContact O-N 2.86Å; S745-I747 VanDerWaalsContact C-N 3.35Å; S745-I747 PolarHBondContact O-N 3.41Å; I747-T750 PolarHBondContact O-OG1 2.97Å; I747-T750 VanDerWaalsContact O-OG1 3.13Å
748N28.1Very low30.6Very low117 Ų117116.1 Ų116.163%0.62659%0.592SS**Hα-helixtrans-74.4-30179-74.9-14.6000113.3N746N746-N748 VanDerWaalsContact C-N 3.25Å; N746-N748 PolarHBondContact O-N 2.85Å
749N30.4Very low30.7Very low113 Ų113114.7 Ų114.760%0.60458%0.583SS**Hα-helixtrans-75.8-33.8176.3-73.5-11.7000112.5N746 K751 N752N746-N749 PolarHBondContact O-N 3.3Å; N749-K751 VanDerWaalsContact C-N 3.3Å; N749-K751 PolarHBondContact O-N 3.07Å; N749-N752 PolarHBondContact O-N 3.34Å
750T32.4Very low30.9Very low69 Ų69112.9 Ų112.942%0.42358%0.578SS.*Hα-helixtrans-73-16.6-179.557.90000114.6I747 K754I747-T750 PolarHBondContact O-OG1 2.97Å; I747-T750 VanDerWaalsContact O-OG1 3.13Å; T750-K754 PolarHBondContact O-N 3.2Å; T750-K754 VanDerWaalsContact O-N 3.09Å
751K31.9Very low31.2Very low141 Ų141111.6 Ų111.661%0.61357%0.574SS**Hα-helixtrans-68.3-36.8172.1-87.9-175.9176.9176.20112.2N749 Q755N749-K751 VanDerWaalsContact C-N 3.3Å; N749-K751 PolarHBondContact O-N 3.07Å; K751-Q755 PolarHBondContact O-N 3.27Å; K751-Q755 VanDerWaalsContact O-N 3.14Å
752N30.1Very low31.4Very low96 Ų96113.1 Ų113.151%0.51357%0.57SS.*Hα-helixtrans-69.1-40.5176-81.8-6.9000111.4N749 K754 Q755 Q756N749-N752 PolarHBondContact O-N 3.34Å; N752-K754 PolarHBondContact O-N 2.87Å; N752-Q755 PolarHBondContact O-N 3.17Å; N752-Q756 PolarHBondContact O-N 3.08Å
753D32.8Very low31.7Very low92 Ų92113.1 Ų113.149%0.49257%0.57SS.*Hα-helixtrans-66.2-38.5177.9-65.1-21.1000112.3Q756 M757D753-Q756 PolarHBondContact O-N 3.46Å; D753-M757 PolarHBondContact O-N 2.99Å
754K33.9Very low32.1Very low154 Ų154111.4 Ų111.467%0.6757%0.565SS**Hα-helixtrans-67-33.7174.1-84.6-175.3176.7177.90112.9T750 N752 K758T750-K754 PolarHBondContact O-N 3.2Å; T750-K754 VanDerWaalsContact O-N 3.09Å; N752-K754 PolarHBondContact O-N 2.87Å; K754-K758 WeakPolarHBondContact O-CG 3.49Å; K754-K758 PolarHBondContact O-N 3.49Å; K754-K758 VanDerWaalsContact O-N 3.08Å
755Q32.4Very low32.3Very low131 Ų131113.6 Ų113.661%0.61257%0.566SS**Hα-helixtrans-70.1-40.9173.8-84.7-173.5-17.600111.7K751 N752 K758 Q759K751-Q755 PolarHBondContact O-N 3.27Å; K751-Q755 VanDerWaalsContact O-N 3.14Å; N752-Q755 PolarHBondContact O-N 3.17Å; Q755-K758 PolarHBondContact O-N 3.11Å; Q755-Q759 PolarHBondContact O-N 3.41Å
756Q31.8Very low32.7Very low130 Ų130113 Ų11361%0.60756%0.562SS**Hα-helixtrans-65.1-40.1175.3-73.3-175.414.100112.4N752 D753 Q759 S760N752-Q756 PolarHBondContact O-N 3.08Å; D753-Q756 PolarHBondContact O-N 3.46Å; Q756-Q759 PolarHBondContact O-N 3.08Å; Q756-S760 PolarHBondContact O-N 3.04Å
757M35.3Very low33.1Very low132 Ų132113 Ų11365%0.6556%0.561SS**Hα-helixtrans-64.4-37.6172.8-83.2-169.9173.200113D753 S760 Q761D753-M757 PolarHBondContact O-N 2.99Å; M757-S760 PolarHBondContact O-N 3.22Å; M757-S760 PolarHBondContact O-OG 3.4Å; M757-S760 VanDerWaalsContact O-OG 3.07Å; M757-Q761 WeakPolarHBondContact O-CB 3.46Å; M757-Q761 WeakPolarHBondContact O-CG 3.33Å; M757-Q761 PolarHBondContact O-N 3.44Å
758K35.5Very low33.6Very low146 Ų146113 Ų11364%0.63556%0.561SS**Hα-helixtrans-67.3-38.4175-82.5-173.6175.3-172.10112.1K754 Q755 Y762K754-K758 WeakPolarHBondContact O-CG 3.49Å; K754-K758 PolarHBondContact O-N 3.49Å; K754-K758 VanDerWaalsContact O-N 3.08Å; Q755-K758 PolarHBondContact O-N 3.11Å; K758-Y762 PolarHBondContact O-N 2.93Å
759Q31.3Very low34Very low131 Ų131113.7 Ų113.761%0.61256%0.56SS**Hα-helixtrans-67.1-42175-78.6-179.3-0.700112Q755 Q756 Q761 Y762 I763Q755-Q759 PolarHBondContact O-N 3.41Å; Q756-Q759 PolarHBondContact O-N 3.08Å; Q759-Q761 VanDerWaalsContact C-N 3.34Å; Q759-Q761 PolarHBondContact O-N 3.42Å; Q759-Y762 PolarHBondContact O-N 2.98Å; Q759-I763 WeakPolarHBondContact O-CG1 3.13Å; Q759-I763 PolarHBondContact O-N 3.26Å
760S33Very low34.4Very low64 Ų64113.1 Ų113.145%0.44856%0.558SS.*Hα-helixtrans-66.3-35.4177.475.40000112.4Q756 M757 T764Q756-S760 PolarHBondContact O-N 3.04Å; M757-S760 PolarHBondContact O-N 3.22Å; M757-S760 PolarHBondContact O-OG 3.4Å; M757-S760 VanDerWaalsContact O-OG 3.07Å; S760-T764 WeakPolarHBondContact O-CB 3.47Å; S760-T764 PolarHBondContact O-N 2.84Å; S760-T764 PolarHBondContact O-OG1 3.05Å
761Q34.5Very low34.8Very low126 Ų126117 Ų11759%0.58957%0.568SS**Hα-helixtrans-65.2-41.2171.9-78.7-177.6-16.500112.6M757 Q759 T764 Q765M757-Q761 WeakPolarHBondContact O-CB 3.46Å; M757-Q761 WeakPolarHBondContact O-CG 3.33Å; M757-Q761 PolarHBondContact O-N 3.44Å; Q759-Q761 VanDerWaalsContact C-N 3.34Å; Q759-Q761 PolarHBondContact O-N 3.42Å; Q761-T764 PolarHBondContact O-N 3.44Å; Q761-Q765 PolarHBondContact O-N 3.4Å
762Y33Very low35.1Very low176 Ų176119 Ų11969%0.6957%0.572SS**Hα-helixtrans-63.8-42.2176.3-106.4-83.3000112.4K758 Q759 T764 Q765 S766K758-Y762 PolarHBondContact O-N 2.93Å; Q759-Y762 PolarHBondContact O-N 2.98Å; Y762-T764 VanDerWaalsContact C-N 3.31Å; Y762-T764 PolarHBondContact O-N 3.31Å; Y762-Q765 PolarHBondContact O-N 3.48Å; Y762-S766 PolarHBondContact O-N 3.31Å; Y762-S766 PolarHBondContact O-OG 3.22Å
763I34.8Very low35.5Very low102 Ų102120.1 Ų120.152%0.52357%0.574SS.*Hα-helixtrans-64.9-38.2175.9-64.6165.1000110.5Q759 S766 I767Q759-I763 WeakPolarHBondContact O-CG1 3.13Å; Q759-I763 PolarHBondContact O-N 3.26Å; I763-S766 PolarHBondContact O-OG 3.49Å; I763-I767 HydrophobicContact CG2-CD1 3.9Å; I763-I767 WeakPolarHBondContact O-CD1 3.31Å; I763-I767 VanDerWaalsContact O-CG1 3.22Å; I763-I767 WeakPolarHBondContact O-CG1 3.38Å; I763-I767 PolarHBondContact O-N 3.4Å; I763-I767 VanDerWaalsContact O-N 3.15Å
764T36Very low36.1Very low80 Ų80123.2 Ų123.249%0.49158%0.583SS.*Hα-helixtrans-68.6-40.3177.9-50.80000111.2S760 Q761 Y762 I768S760-T764 WeakPolarHBondContact O-CB 3.47Å; S760-T764 PolarHBondContact O-N 2.84Å; S760-T764 PolarHBondContact O-OG1 3.05Å; Q761-T764 PolarHBondContact O-N 3.44Å; Y762-T764 VanDerWaalsContact C-N 3.31Å; Y762-T764 PolarHBondContact O-N 3.31Å; T764-I768 HydrophobicContact CG2-CD1 4.11Å; T764-I768 WeakPolarHBondContact O-CD1 3.14Å; T764-I768 VanDerWaalsContact O-CG1 3.23Å; T764-I768 WeakPolarHBondContact O-CG1 3.43Å; T764-I768 PolarHBondContact O-N 3.07Å; T764-I768 VanDerWaalsContact O-N 3.12Å
765Q33.2Very low36.4Very low126 Ų126125 Ų12559%0.58959%0.591SS**Hα-helixtrans-67.6-38.5176.3-78.9-174.2-6.300113Q761 Y762 I768 Q769Q761-Q765 PolarHBondContact O-N 3.4Å; Y762-Q765 PolarHBondContact O-N 3.48Å; Q765-I768 PolarHBondContact O-N 3.04Å; Q765-Q769 PolarHBondContact O-N 3.48Å
766S35.1Very low36.8Very low70 Ų70123.3 Ų123.349%0.4959%0.593SS.*Hα-helixtrans-65.7-40.2176.9650000111.8Y762 I763 I768 Q769 D770Y762-S766 PolarHBondContact O-N 3.31Å; Y762-S766 PolarHBondContact O-OG 3.22Å; I763-S766 PolarHBondContact O-OG 3.49Å; S766-I768 VanDerWaalsContact C-N 3.29Å; S766-I768 PolarHBondContact O-N 3.4Å; S766-Q769 PolarHBondContact O-N 3.07Å; S766-D770 WeakPolarHBondContact O-CB 3.35Å; S766-D770 PolarHBondContact O-N 2.96Å
767I37.9Very low36.8Very low90 Ų90128.1 Ų128.146%0.46261%0.613SS.*Hα-helixtrans-64.3-33.8174.5-66.3167000111.7I763 K771I763-I767 HydrophobicContact CG2-CD1 3.9Å; I763-I767 WeakPolarHBondContact O-CD1 3.31Å; I763-I767 VanDerWaalsContact O-CG1 3.22Å; I763-I767 WeakPolarHBondContact O-CG1 3.38Å; I763-I767 PolarHBondContact O-N 3.4Å; I763-I767 VanDerWaalsContact O-N 3.15Å; I767-K771 PolarHBondContact O-N 3.17Å
768I41.5Very low36.8Very low86 Ų86127.9 Ų127.944%0.44161%0.611SS.*Hα-helixtrans-72.3-40.4177-69.1165.2000111.3T764 Q765 S766 K771 R772T764-I768 HydrophobicContact CG2-CD1 4.11Å; T764-I768 WeakPolarHBondContact O-CD1 3.14Å; T764-I768 VanDerWaalsContact O-CG1 3.23Å; T764-I768 WeakPolarHBondContact O-CG1 3.43Å; T764-I768 PolarHBondContact O-N 3.07Å; T764-I768 VanDerWaalsContact O-N 3.12Å; Q765-I768 PolarHBondContact O-N 3.04Å; S766-I768 VanDerWaalsContact C-N 3.29Å; S766-I768 PolarHBondContact O-N 3.4Å; I768-K771 PolarHBondContact O-N 2.87Å; I768-R772 PolarHBondContact O-N 3.33Å
769Q36.4Very low36.9Very low132 Ų132126.9 Ų126.962%0.61761%0.609SS**Hα-helixtrans-68.4-40176.7-76.5-145.8-31.900112.5Q765 S766 K771 R772 H773Q765-Q769 PolarHBondContact O-N 3.48Å; S766-Q769 PolarHBondContact O-N 3.07Å; Q769-K771 PolarHBondContact O-N 2.94Å; Q769-R772 PolarHBondContact O-N 3Å; Q769-H773 PolarHBondContact O-N 3.44Å
770D39.3Very low37.2Very low102 Ų102126.7 Ų126.755%0.54561%0.609SS.*Hα-helixtrans-64-31.7178.2-15938.3000111.8S766 K774S766-D770 WeakPolarHBondContact O-CB 3.35Å; S766-D770 PolarHBondContact O-N 2.96Å; D770-K774 PolarHBondContact O-N 3.03Å
771K40.3Very low37.5Very low149 Ų149130.4 Ų130.465%0.64862%0.619SS**Hα-helixtrans-75.6-24.1171.9-80.6-177.4178.61730114.7I767 I768 Q769I767-K771 PolarHBondContact O-N 3.17Å; I768-K771 PolarHBondContact O-N 2.87Å; Q769-K771 PolarHBondContact O-N 2.94Å
772R39.3Very low37.6Very low185 Ų185130.7 Ų130.770%0.69862%0.621SS**Hα-helixtrans-74.8-38.1171.7-73.9-170.6-166.5-1794.2111.2I768 Q769 K774 K775 S776I768-R772 PolarHBondContact O-N 3.33Å; Q769-R772 PolarHBondContact O-N 3Å; R772-K774 VanDerWaalsContact C-N 3.34Å; R772-K774 PolarHBondContact O-N 3.34Å; R772-K775 PolarHBondContact O-N 3.44Å; R772-S776 PolarHBondContact O-N 3.3Å
773H38.7Very low38Very low118 Ų118127.7 Ų127.755%0.54662%0.616SS.*Hα-helixtrans-63.5-38.1174.4-89.7-72.2000112.7Q769 K775 S776 F777Q769-H773 PolarHBondContact O-N 3.44Å; H773-K775 PolarHBondContact O-N 2.99Å; H773-S776 PolarHBondContact O-N 2.89Å; H773-S776 PolarHBondContact O-OG 3.22Å; H773-F777 PolarHBondContact O-N 3.25Å
774K44.7Very low38.2Very low158 Ų158129.5 Ų129.569%0.68762%0.623SS**Hα-helixtrans-70.4-3.7172.8-81.1-179177.8168.30115.5D770 R772D770-K774 PolarHBondContact O-N 3.03Å; R772-K774 VanDerWaalsContact C-N 3.34Å; R772-K774 PolarHBondContact O-N 3.34Å
775K40.1Very low38.3Very low192 Ų192133.3 Ų133.384%0.83563%0.633SS**Hα-helixtrans-103.8-11.5173.5-112.6-174.7177.2-172.10113R772 H773R772-K775 PolarHBondContact O-N 3.44Å; H773-K775 PolarHBondContact O-N 2.99Å
776S40.5Very low38.8Very low94 Ų94133.9 Ų133.966%0.65764%0.637SS**Hα-helixtrans-98.6-10.6172.983.30000113.5R772 H773R772-S776 PolarHBondContact O-N 3.3Å; H773-S776 PolarHBondContact O-N 2.89Å; H773-S776 PolarHBondContact O-OG 3.22Å
777F31.4Very low39.1Very low231 Ų231139.7 Ų139.7100%1.01365%0.65SS**  trans-93.30157.4-81.8-83.5000108.4H773H773-F777 PolarHBondContact O-N 3.25Å

Retrieved 777 of 777 residues in 1757.4 ms (Link to these results)

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